root / examples / Vasp / Serial / POTCAR @ 1
Historique | Voir | Annoter | Télécharger (455,79 ko)
| 1 |
PAW_PBE Pt 05Jan2001 |
|---|---|
| 2 |
10.0000000000000000 |
| 3 |
parameters from PSCTR are: |
| 4 |
VRHFIN =Pt: s1d9 |
| 5 |
LEXCH = PE |
| 6 |
EATOM = 729.1171 eV, 53.5886 Ry |
| 7 |
|
| 8 |
TITEL = PAW_PBE Pt 05Jan2001 |
| 9 |
LULTRA = F use ultrasoft PP ? |
| 10 |
IUNSCR = 1 unscreen: 0-lin 1-nonlin 2-no |
| 11 |
RPACOR = 2.330 partial core radius |
| 12 |
POMASS = 195.080; ZVAL = 10.000 mass and valenz |
| 13 |
RCORE = 2.500 outmost cutoff radius |
| 14 |
RWIGS = 2.750; RWIGS = 1.455 wigner-seitz radius (au A) |
| 15 |
ENMAX = 230.283; ENMIN = 172.712 eV |
| 16 |
RCLOC = 1.896 cutoff for local pot |
| 17 |
LCOR = T correct aug charges |
| 18 |
LPAW = T paw PP |
| 19 |
EAUG = 358.966 |
| 20 |
DEXC = -.039 |
| 21 |
RMAX = 3.038 core radius for proj-oper |
| 22 |
RAUG = 1.300 factor for augmentation sphere |
| 23 |
RDEP = 2.590 radius for radial grids |
| 24 |
QCUT = -4.114; QGAM = 8.228 optimization parameters |
| 25 |
|
| 26 |
Description |
| 27 |
l E TYP RCUT TYP RCUT |
| 28 |
2 .000 23 2.500 |
| 29 |
2 .000 23 2.500 |
| 30 |
0 .000 23 2.500 |
| 31 |
0 .000 23 2.500 |
| 32 |
1 -.200 23 2.500 |
| 33 |
1 1.500 23 2.500 |
| 34 |
3 .000 7 .000 |
| 35 |
Error from kinetic energy argument (eV) |
| 36 |
NDATA = 100 |
| 37 |
STEP = 20.000 1.050 |
| 38 |
199. 196. 194. 190. 188. 184. 180. 178. |
| 39 |
173. 168. 166. 161. 155. 150. 144. 138. |
| 40 |
133. 127. 121. 112. 107. 101. 92.5 87.0 |
| 41 |
81.6 73.8 66.3 61.6 54.8 48.4 42.5 37.1 |
| 42 |
32.1 27.6 23.5 19.9 15.7 13.0 9.97 8.06 |
| 43 |
5.97 4.33 3.06 2.11 1.41 .913 .573 .307 |
| 44 |
.183 .101 .659E-01 .561E-01 .534E-01 .532E-01 .504E-01 .450E-01 |
| 45 |
.376E-01 .279E-01 .191E-01 .124E-01 .819E-02 .607E-02 .532E-02 .519E-02 |
| 46 |
.511E-02 .469E-02 .391E-02 .296E-02 .199E-02 .141E-02 .110E-02 .102E-02 |
| 47 |
.101E-02 .948E-03 .781E-03 .594E-03 .418E-03 .321E-03 .292E-03 .288E-03 |
| 48 |
.263E-03 .211E-03 .155E-03 .116E-03 .105E-03 .103E-03 .922E-04 .706E-04 |
| 49 |
.522E-04 .450E-04 .438E-04 .398E-04 .302E-04 .233E-04 .212E-04 .204E-04 |
| 50 |
.167E-04 .128E-04 .112E-04 .108E-04 |
| 51 |
END of PSCTR-controll parameters |
| 52 |
local part |
| 53 |
75.5890395431569289 |
| 54 |
.14549528E+03 .14546936E+03 .14539157E+03 .14526204E+03 .14508094E+03 |
| 55 |
.14484850E+03 .14456503E+03 .14423087E+03 .14384644E+03 .14341220E+03 |
| 56 |
.14292868E+03 .14239643E+03 .14181606E+03 .14118822E+03 .14051359E+03 |
| 57 |
.13979291E+03 .13902696E+03 .13821655E+03 .13736254E+03 .13646583E+03 |
| 58 |
.13552738E+03 .13454817E+03 .13352924E+03 .13247168E+03 .13137660E+03 |
| 59 |
.13024517E+03 .12907858E+03 .12787807E+03 .12664491E+03 .12538039E+03 |
| 60 |
.12408584E+03 .12276259E+03 .12141201E+03 .12003550E+03 .11863444E+03 |
| 61 |
.11721025E+03 .11576435E+03 .11429819E+03 .11281319E+03 .11131082E+03 |
| 62 |
.10979253E+03 .10825976E+03 .10671398E+03 .10515663E+03 .10358917E+03 |
| 63 |
.10201304E+03 .10042966E+03 .98840448E+02 .97246816E+02 .95650144E+02 |
| 64 |
.94051797E+02 .92453121E+02 .90855435E+02 .89260033E+02 .87668184E+02 |
| 65 |
.86081128E+02 .84500071E+02 .82926193E+02 .81360637E+02 .79804514E+02 |
| 66 |
.78258898E+02 .76724826E+02 .75203297E+02 .73695271E+02 .72201667E+02 |
| 67 |
.70723363E+02 .69261194E+02 .67815953E+02 .66388388E+02 .64979206E+02 |
| 68 |
.63589068E+02 .62218591E+02 .60868349E+02 .59538871E+02 .58230644E+02 |
| 69 |
.56944111E+02 .55679672E+02 .54437683E+02 .53218462E+02 .52022280E+02 |
| 70 |
.50849372E+02 .49699929E+02 .48574104E+02 .47472012E+02 .46393728E+02 |
| 71 |
.45339293E+02 .44308709E+02 .43301946E+02 .42318940E+02 .41359594E+02 |
| 72 |
.40423783E+02 .39511351E+02 .38622113E+02 .37755860E+02 .36912355E+02 |
| 73 |
.36091339E+02 .35292531E+02 .34515628E+02 .33760306E+02 .33026224E+02 |
| 74 |
.32313023E+02 .31620330E+02 .30947756E+02 .30294899E+02 .29661347E+02 |
| 75 |
.29046676E+02 .28450455E+02 .27872244E+02 .27311598E+02 .26768066E+02 |
| 76 |
.26241195E+02 .25730527E+02 .25235603E+02 .24755966E+02 .24291156E+02 |
| 77 |
.23840716E+02 .23404190E+02 .22981127E+02 .22571078E+02 .22173600E+02 |
| 78 |
.21788254E+02 .21414610E+02 .21052241E+02 .20700730E+02 .20359669E+02 |
| 79 |
.20028655E+02 .19707298E+02 .19395215E+02 .19092034E+02 .18797392E+02 |
| 80 |
.18510937E+02 .18232328E+02 .17961234E+02 .17697334E+02 .17440321E+02 |
| 81 |
.17189895E+02 .16945770E+02 .16707671E+02 .16475331E+02 .16248498E+02 |
| 82 |
.16026928E+02 .15810391E+02 .15598665E+02 .15391540E+02 .15188816E+02 |
| 83 |
.14990304E+02 .14795823E+02 .14605205E+02 .14418288E+02 .14234922E+02 |
| 84 |
.14054963E+02 .13878279E+02 .13704742E+02 .13534236E+02 .13366650E+02 |
| 85 |
.13201882E+02 .13039836E+02 .12880423E+02 .12723561E+02 .12569172E+02 |
| 86 |
.12417188E+02 .12267541E+02 .12120174E+02 .11975029E+02 .11832056E+02 |
| 87 |
.11691209E+02 .11552444E+02 .11415722E+02 .11281007E+02 .11148265E+02 |
| 88 |
.11017465E+02 .10888579E+02 .10761582E+02 .10636448E+02 .10513155E+02 |
| 89 |
.10391684E+02 .10272013E+02 .10154126E+02 .10038005E+02 .99236328E+01 |
| 90 |
.98109941E+01 .97000734E+01 .95908554E+01 .94833251E+01 .93774675E+01 |
| 91 |
.92732675E+01 .91707098E+01 .90697790E+01 .89704594E+01 .88727347E+01 |
| 92 |
.87765885E+01 .86820040E+01 .85889638E+01 .84974501E+01 .84074446E+01 |
| 93 |
.83189284E+01 .82318822E+01 .81462859E+01 .80621191E+01 .79793607E+01 |
| 94 |
.78979889E+01 .78179815E+01 .77393159E+01 .76619687E+01 .75859164E+01 |
| 95 |
.75111349E+01 .74375999E+01 .73652869E+01 .72941709E+01 .72242270E+01 |
| 96 |
.71554301E+01 .70877549E+01 .70211762E+01 .69556686E+01 .68912069E+01 |
| 97 |
.68277659E+01 .67653203E+01 .67038453E+01 .66433160E+01 .65837077E+01 |
| 98 |
.65249962E+01 .64671573E+01 .64101676E+01 .63540039E+01 .62986433E+01 |
| 99 |
.62440637E+01 .61902433E+01 .61371611E+01 .60847964E+01 .60331292E+01 |
| 100 |
.59821402E+01 .59318105E+01 .58821218E+01 .58330566E+01 .57845978E+01 |
| 101 |
.57367291E+01 .56894347E+01 .56426993E+01 .55965087E+01 .55508488E+01 |
| 102 |
.55057067E+01 .54610697E+01 .54169261E+01 .53732646E+01 .53300746E+01 |
| 103 |
.52873462E+01 .52450700E+01 .52032371E+01 .51618391E+01 .51208684E+01 |
| 104 |
.50803175E+01 .50401795E+01 .50004481E+01 .49611171E+01 .49221812E+01 |
| 105 |
.48836349E+01 .48454737E+01 .48076930E+01 .47702889E+01 .47332576E+01 |
| 106 |
.46965957E+01 .46603001E+01 .46243681E+01 .45887969E+01 .45535842E+01 |
| 107 |
.45187277E+01 .44842252E+01 .44500750E+01 .44162750E+01 .43828235E+01 |
| 108 |
.43497189E+01 .43169595E+01 .42845439E+01 .42524705E+01 .42207381E+01 |
| 109 |
.41893451E+01 .41582903E+01 .41275724E+01 .40971900E+01 .40671417E+01 |
| 110 |
.40374261E+01 .40080418E+01 .39789871E+01 .39502605E+01 .39218602E+01 |
| 111 |
.38937842E+01 .38660308E+01 .38385977E+01 .38114828E+01 .37846837E+01 |
| 112 |
.37581982E+01 .37320237E+01 .37061576E+01 .36805971E+01 .36553394E+01 |
| 113 |
.36303815E+01 .36057203E+01 .35813525E+01 .35572746E+01 .35334831E+01 |
| 114 |
.35099742E+01 .34867440E+01 .34637885E+01 .34411034E+01 .34186844E+01 |
| 115 |
.33965271E+01 .33746269E+01 .33529792E+01 .33315791E+01 .33104218E+01 |
| 116 |
.32895024E+01 .32688159E+01 .32483572E+01 .32281211E+01 .32081025E+01 |
| 117 |
.31882961E+01 .31686964E+01 .31492982E+01 .31300960E+01 .31110845E+01 |
| 118 |
.30922582E+01 .30736118E+01 .30551400E+01 .30368374E+01 .30186990E+01 |
| 119 |
.30007196E+01 .29828943E+01 .29652183E+01 .29476868E+01 .29302953E+01 |
| 120 |
.29130394E+01 .28959148E+01 .28789175E+01 .28620434E+01 .28452889E+01 |
| 121 |
.28286504E+01 .28121246E+01 .27957084E+01 .27793989E+01 .27631937E+01 |
| 122 |
.27470902E+01 .27310865E+01 .27151808E+01 .26993714E+01 .26836573E+01 |
| 123 |
.26680372E+01 .26525106E+01 .26370769E+01 .26217359E+01 .26064874E+01 |
| 124 |
.25913318E+01 .25762694E+01 .25613009E+01 .25464270E+01 .25316488E+01 |
| 125 |
.25169674E+01 .25023843E+01 .24879009E+01 .24735189E+01 .24592402E+01 |
| 126 |
.24450665E+01 .24310000E+01 .24170426E+01 .24031964E+01 .23894635E+01 |
| 127 |
.23758460E+01 .23623459E+01 .23489652E+01 .23357058E+01 .23225696E+01 |
| 128 |
.23095582E+01 .22966733E+01 .22839163E+01 .22712885E+01 .22587911E+01 |
| 129 |
.22464252E+01 .22341914E+01 .22220904E+01 .22101226E+01 .21982882E+01 |
| 130 |
.21865870E+01 .21750186E+01 .21635825E+01 .21522778E+01 .21411034E+01 |
| 131 |
.21300578E+01 .21191394E+01 .21083463E+01 .20976763E+01 .20871272E+01 |
| 132 |
.20766962E+01 .20663806E+01 .20561775E+01 .20460836E+01 .20360957E+01 |
| 133 |
.20262102E+01 .20164236E+01 .20067320E+01 .19971317E+01 .19876187E+01 |
| 134 |
.19781889E+01 .19688384E+01 .19595629E+01 .19503585E+01 .19412210E+01 |
| 135 |
.19321465E+01 .19231311E+01 .19141709E+01 .19052622E+01 .18964015E+01 |
| 136 |
.18875853E+01 .18788106E+01 .18700742E+01 .18613732E+01 .18527052E+01 |
| 137 |
.18440676E+01 .18354584E+01 .18268755E+01 .18183174E+01 .18097827E+01 |
| 138 |
.18012701E+01 .17927789E+01 .17843085E+01 .17758586E+01 .17674292E+01 |
| 139 |
.17590206E+01 .17506333E+01 .17422681E+01 .17339260E+01 .17256084E+01 |
| 140 |
.17173167E+01 .17090526E+01 .17008180E+01 .16926148E+01 .16844453E+01 |
| 141 |
.16763117E+01 .16682165E+01 .16601622E+01 .16521512E+01 .16441863E+01 |
| 142 |
.16362702E+01 .16284054E+01 .16205946E+01 .16128405E+01 .16051457E+01 |
| 143 |
.15975126E+01 .15899437E+01 .15824411E+01 .15750071E+01 .15676434E+01 |
| 144 |
.15603520E+01 .15531344E+01 .15459919E+01 .15389258E+01 .15319369E+01 |
| 145 |
.15250260E+01 .15181934E+01 .15114396E+01 .15047645E+01 .14981678E+01 |
| 146 |
.14916491E+01 .14852076E+01 .14788425E+01 .14725525E+01 .14663361E+01 |
| 147 |
.14601918E+01 .14541177E+01 .14481116E+01 .14421715E+01 .14362947E+01 |
| 148 |
.14304789E+01 .14247212E+01 .14190189E+01 .14133691E+01 .14077688E+01 |
| 149 |
.14022150E+01 .13967047E+01 .13912347E+01 .13858022E+01 .13804039E+01 |
| 150 |
.13750370E+01 .13696984E+01 .13643854E+01 .13590951E+01 .13538249E+01 |
| 151 |
.13485723E+01 .13433348E+01 .13381103E+01 .13328967E+01 .13276922E+01 |
| 152 |
.13224950E+01 .13173038E+01 .13121174E+01 .13069346E+01 .13017548E+01 |
| 153 |
.12965774E+01 .12914020E+01 .12862285E+01 .12810570E+01 .12758877E+01 |
| 154 |
.12707212E+01 .12655581E+01 .12603993E+01 .12552459E+01 .12500990E+01 |
| 155 |
.12449600E+01 .12398304E+01 .12347120E+01 .12296064E+01 .12245156E+01 |
| 156 |
.12194415E+01 .12143862E+01 .12093516E+01 .12043399E+01 .11993532E+01 |
| 157 |
.11943936E+01 .11894630E+01 .11845636E+01 .11796972E+01 .11748657E+01 |
| 158 |
.11700710E+01 .11653146E+01 .11605981E+01 .11559231E+01 .11512907E+01 |
| 159 |
.11467023E+01 .11421588E+01 .11376611E+01 .11332099E+01 .11288057E+01 |
| 160 |
.11244489E+01 .11201395E+01 .11158776E+01 .11116630E+01 .11074953E+01 |
| 161 |
.11033739E+01 .10992981E+01 .10952669E+01 .10912794E+01 .10873344E+01 |
| 162 |
.10834306E+01 .10795666E+01 .10757407E+01 .10719515E+01 .10681972E+01 |
| 163 |
.10644759E+01 .10607859E+01 .10571252E+01 .10534920E+01 .10498842E+01 |
| 164 |
.10462998E+01 .10427369E+01 .10391936E+01 .10356679E+01 .10321580E+01 |
| 165 |
.10286621E+01 .10251785E+01 .10217056E+01 .10182418E+01 .10147857E+01 |
| 166 |
.10113361E+01 .10078917E+01 .10044516E+01 .10010148E+01 .99758056E+00 |
| 167 |
.99414815E+00 .99071710E+00 .98728703E+00 .98385770E+00 .98042901E+00 |
| 168 |
.97700100E+00 .97357386E+00 .97014788E+00 .96672353E+00 .96330134E+00 |
| 169 |
.95988202E+00 .95646633E+00 .95305516E+00 .94964947E+00 .94625029E+00 |
| 170 |
.94285871E+00 .93947588E+00 .93610296E+00 .93274118E+00 .92939175E+00 |
| 171 |
.92605589E+00 .92273484E+00 .91942980E+00 .91614198E+00 .91287255E+00 |
| 172 |
.90962261E+00 .90639327E+00 .90318553E+00 .90000035E+00 .89683862E+00 |
| 173 |
.89370111E+00 .89058854E+00 .88750150E+00 .88444051E+00 .88140594E+00 |
| 174 |
.87839810E+00 .87541715E+00 .87246319E+00 .86953618E+00 .86663598E+00 |
| 175 |
.86376237E+00 .86091504E+00 .85809356E+00 .85529745E+00 .85252612E+00 |
| 176 |
.84977891E+00 .84705509E+00 .84435387E+00 .84167438E+00 .83901570E+00 |
| 177 |
.83637687E+00 .83375689E+00 .83115471E+00 .82856930E+00 .82599957E+00 |
| 178 |
.82344447E+00 .82090294E+00 .81837395E+00 .81585649E+00 .81334959E+00 |
| 179 |
.81085230E+00 .80836375E+00 .80588310E+00 .80340956E+00 .80094242E+00 |
| 180 |
.79848101E+00 .79602474E+00 .79357308E+00 .79112557E+00 .78868183E+00 |
| 181 |
.78624156E+00 .78380453E+00 .78137059E+00 .77893968E+00 .77651182E+00 |
| 182 |
.77408709E+00 .77166566E+00 .76924777E+00 .76683371E+00 .76442386E+00 |
| 183 |
.76201861E+00 .75961843E+00 .75722381E+00 .75483529E+00 .75245342E+00 |
| 184 |
.75007878E+00 .74771198E+00 .74535361E+00 .74300431E+00 .74066467E+00 |
| 185 |
.73833533E+00 .73601688E+00 .73370991E+00 .73141500E+00 .72913269E+00 |
| 186 |
.72686348E+00 .72460785E+00 .72236622E+00 .72013896E+00 .71792639E+00 |
| 187 |
.71572877E+00 .71354632E+00 .71137917E+00 .70922741E+00 .70709108E+00 |
| 188 |
.70497014E+00 .70286451E+00 .70077406E+00 .69869861E+00 .69663792E+00 |
| 189 |
.69459171E+00 .69255965E+00 .69054138E+00 .68853647E+00 .68654448E+00 |
| 190 |
.68456493E+00 .68259729E+00 .68064103E+00 .67869558E+00 .67676037E+00 |
| 191 |
.67483481E+00 .67291831E+00 .67101030E+00 .66911020E+00 .66721745E+00 |
| 192 |
.66533154E+00 .66345194E+00 .66157818E+00 .65970980E+00 .65784640E+00 |
| 193 |
.65598759E+00 .65413301E+00 .65228238E+00 .65043542E+00 .64859191E+00 |
| 194 |
.64675166E+00 .64491456E+00 .64308051E+00 .64124949E+00 .63942150E+00 |
| 195 |
.63759661E+00 .63577493E+00 .63395663E+00 .63214191E+00 .63033101E+00 |
| 196 |
.62852421E+00 .62672183E+00 .62492419E+00 .62313166E+00 .62134461E+00 |
| 197 |
.61956345E+00 .61778855E+00 .61602035E+00 .61425924E+00 .61250564E+00 |
| 198 |
.61075995E+00 .60902259E+00 .60729393E+00 .60557438E+00 .60386427E+00 |
| 199 |
.60216397E+00 .60047378E+00 .59879398E+00 .59712482E+00 .59546651E+00 |
| 200 |
.59381923E+00 .59218310E+00 .59055819E+00 .58894456E+00 .58734218E+00 |
| 201 |
.58575101E+00 .58417097E+00 .58260191E+00 .58104367E+00 .57949604E+00 |
| 202 |
.57795877E+00 .57643160E+00 .57491421E+00 .57340627E+00 .57190739E+00 |
| 203 |
.57041720E+00 .56893526E+00 .56746113E+00 .56599436E+00 .56453446E+00 |
| 204 |
.56308095E+00 .56163335E+00 .56019117E+00 .55875392E+00 .55732114E+00 |
| 205 |
.55589237E+00 .55446717E+00 .55304513E+00 .55162586E+00 .55020899E+00 |
| 206 |
.54879421E+00 .54738119E+00 .54596967E+00 .54455942E+00 .54315022E+00 |
| 207 |
.54174192E+00 .54033438E+00 .53892751E+00 .53752127E+00 .53611565E+00 |
| 208 |
.53471068E+00 .53330645E+00 .53190307E+00 .53050072E+00 .52909958E+00 |
| 209 |
.52769991E+00 .52630196E+00 .52490605E+00 .52351250E+00 .52212165E+00 |
| 210 |
.52073387E+00 .51934954E+00 .51796906E+00 .51659282E+00 .51522124E+00 |
| 211 |
.51385471E+00 .51249366E+00 .51113849E+00 .50978960E+00 .50844740E+00 |
| 212 |
.50711226E+00 .50578456E+00 .50446464E+00 .50315283E+00 .50184942E+00 |
| 213 |
.50055468E+00 .49926885E+00 .49799211E+00 .49672463E+00 .49546652E+00 |
| 214 |
.49421787E+00 .49297872E+00 .49174906E+00 .49052887E+00 .48931806E+00 |
| 215 |
.48811655E+00 .48692417E+00 .48574077E+00 .48456612E+00 .48339999E+00 |
| 216 |
.48224210E+00 .48109214E+00 .47994979E+00 .47881469E+00 .47768644E+00 |
| 217 |
.47656465E+00 .47544890E+00 .47433874E+00 .47323373E+00 .47213343E+00 |
| 218 |
.47103738E+00 .46994513E+00 .46885626E+00 .46777033E+00 .46668693E+00 |
| 219 |
.46560565E+00 .46452611E+00 .46344796E+00 .46237084E+00 .46129445E+00 |
| 220 |
.46021848E+00 .45914266E+00 .45806677E+00 .45699059E+00 .45591394E+00 |
| 221 |
.45483669E+00 .45375873E+00 .45268000E+00 .45160048E+00 .45052017E+00 |
| 222 |
.44943912E+00 .44835744E+00 .44727522E+00 .44619264E+00 .44510986E+00 |
| 223 |
.44402711E+00 .44294463E+00 .44186266E+00 .44078149E+00 .43970143E+00 |
| 224 |
.43862278E+00 .43754587E+00 .43647106E+00 .43539869E+00 .43432913E+00 |
| 225 |
.43326275E+00 .43219992E+00 .43114102E+00 .43008640E+00 .42903644E+00 |
| 226 |
.42799148E+00 .42695185E+00 .42591788E+00 .42488985E+00 .42386804E+00 |
| 227 |
.42285270E+00 .42184404E+00 .42084225E+00 .41984752E+00 .41885996E+00 |
| 228 |
.41787969E+00 .41690679E+00 .41594132E+00 .41498329E+00 .41403271E+00 |
| 229 |
.41308952E+00 .41215366E+00 .41122504E+00 .41030352E+00 .40938895E+00 |
| 230 |
.40848113E+00 .40757985E+00 .40668486E+00 .40579591E+00 .40491270E+00 |
| 231 |
.40403494E+00 .40316231E+00 .40229448E+00 .40143112E+00 .40057189E+00 |
| 232 |
.39971645E+00 .39886446E+00 .39801557E+00 .39716943E+00 .39632572E+00 |
| 233 |
.39548409E+00 .39464423E+00 .39380582E+00 .39296856E+00 .39213215E+00 |
| 234 |
.39129633E+00 .39046084E+00 .38962546E+00 .38878998E+00 .38795422E+00 |
| 235 |
.38711802E+00 .38628126E+00 .38544385E+00 .38460571E+00 .38376681E+00 |
| 236 |
.38292712E+00 .38208666E+00 .38124546E+00 .38040358E+00 .37956109E+00 |
| 237 |
.37871810E+00 .37787474E+00 .37703114E+00 .37618747E+00 .37534392E+00 |
| 238 |
.37450070E+00 .37365801E+00 .37281611E+00 .37197523E+00 .37113563E+00 |
| 239 |
.37029759E+00 .36946138E+00 .36862727E+00 .36779554E+00 .36696645E+00 |
| 240 |
.36614028E+00 .36531727E+00 .36449768E+00 .36368174E+00 .36286969E+00 |
| 241 |
.36206173E+00 .36125808E+00 .36045891E+00 .35966440E+00 .35887471E+00 |
| 242 |
.35808998E+00 .35731032E+00 .35653585E+00 .35576662E+00 .35500271E+00 |
| 243 |
.35424414E+00 .35349091E+00 .35274302E+00 .35200041E+00 .35126303E+00 |
| 244 |
.35053080E+00 .34980360E+00 .34908132E+00 .34836381E+00 .34765093E+00 |
| 245 |
.34694251E+00 .34623836E+00 .34553830E+00 .34484213E+00 .34414963E+00 |
| 246 |
.34346058E+00 .34277476E+00 .34209194E+00 .34141186E+00 .34073430E+00 |
| 247 |
.34005901E+00 .33938574E+00 .33871427E+00 .33804435E+00 .33737577E+00 |
| 248 |
.33670831E+00 .33604177E+00 .33537596E+00 .33471072E+00 .33404587E+00 |
| 249 |
.33338128E+00 .33271682E+00 .33205238E+00 .33138786E+00 .33072317E+00 |
| 250 |
.33005826E+00 .32939307E+00 .32872757E+00 .32806175E+00 .32739560E+00 |
| 251 |
.32672915E+00 .32606245E+00 .32539553E+00 .32472849E+00 .32406141E+00 |
| 252 |
.32339440E+00 .32272759E+00 .32206110E+00 .32139508E+00 .32072968E+00 |
| 253 |
.32006506E+00 .31940139E+00 .31873883E+00 .31807755E+00 .31741773E+00 |
| 254 |
gradient corrections used for XC |
| 255 |
5 |
| 256 |
core charge-density (partial) |
| 257 |
.23304368E+01 .23293201E+01 .23259732E+01 .23204049E+01 .23126305E+01 |
| 258 |
.23026710E+01 .22905531E+01 .22763094E+01 .22599782E+01 .22416029E+01 |
| 259 |
.22212323E+01 .21989203E+01 .21747254E+01 .21487106E+01 .21209435E+01 |
| 260 |
.20914951E+01 .20604407E+01 .20278585E+01 .19938299E+01 .19584392E+01 |
| 261 |
.19217727E+01 .18839190E+01 .18449683E+01 .18050123E+01 .17641436E+01 |
| 262 |
.17224552E+01 .16800409E+01 .16369943E+01 .15934084E+01 .15493760E+01 |
| 263 |
.15049886E+01 .14603366E+01 .14155089E+01 .13705926E+01 .13256726E+01 |
| 264 |
.12808318E+01 .12361503E+01 .11917056E+01 .11475724E+01 .11038223E+01 |
| 265 |
.10605235E+01 .10177412E+01 .97553688E+00 .93396849E+00 .89309041E+00 |
| 266 |
.85295331E+00 .81360412E+00 .77508601E+00 .73743836E+00 .70069679E+00 |
| 267 |
.66489317E+00 .63005566E+00 .59620875E+00 .56337331E+00 .53156672E+00 |
| 268 |
.50080286E+00 .47109230E+00 .44244234E+00 .41485716E+00 .38833792E+00 |
| 269 |
.36288288E+00 .33848755E+00 .31514485E+00 .29284519E+00 .27157666E+00 |
| 270 |
.25132520E+00 .23207467E+00 .21380708E+00 .19650272E+00 .18014027E+00 |
| 271 |
.16469700E+00 .15014889E+00 .13647080E+00 .12363658E+00 .11161923E+00 |
| 272 |
.10039103E+00 .89923683E-01 .80188417E-01 .71156134E-01 .62797511E-01 |
| 273 |
.55083117E-01 .47983519E-01 .41469382E-01 .35511562E-01 .30081199E-01 |
| 274 |
.25149796E-01 .20689298E-01 .16672160E-01 .13071413E-01 .98607243E-02 |
| 275 |
.70144480E-02 .45076723E-02 .23162617E-02 .41689200E-03 -.12129190E-02 |
| 276 |
-.25947862E-02 -.37494372E-02 -.46966967E-02 -.54554756E-02 -.60437648E-02 |
| 277 |
-.64786326E-02 -.67762263E-02 -.69517776E-02 -.70196111E-02 -.69931560E-02 |
| 278 |
-.68849611E-02 -.67067121E-02 -.64692513E-02 -.61826002E-02 -.58559828E-02 |
| 279 |
-.54978523E-02 -.51159176E-02 -.47171723E-02 -.43079243E-02 -.38938266E-02 |
| 280 |
-.34799081E-02 -.30706058E-02 -.26697966E-02 -.22808298E-02 -.19065589E-02 |
| 281 |
-.15493743E-02 -.12112344E-02 -.89369736E-03 -.59795196E-03 -.32484747E-03 |
| 282 |
-.74923249E-04 .15156275E-03 .35460631E-03 .53443034E-03 .69145924E-03 |
| 283 |
.82629443E-03 .93969097E-03 .10325354E-02 .11058249E-02 .11606473E-02 |
| 284 |
.11981628E-02 .12195867E-02 .12261732E-02 .12192008E-02 .11999587E-02 |
| 285 |
.11697344E-02 .11298025E-02 .10814146E-02 .10257904E-02 .96410991E-03 |
| 286 |
.89750636E-03 .82706064E-03 .75379623E-03 .67867523E-03 .60259520E-03 |
| 287 |
.52638683E-03 .45081228E-03 .37656432E-03 .30426603E-03 .23447116E-03 |
| 288 |
.16766494E-03 .10426550E-03 .44625618E-04 -.10965055E-04 -.62277499E-04 |
| 289 |
-.10914048E-03 -.15143748E-03 -.18910343E-03 -.22212121E-03 -.25051814E-03 |
| 290 |
-.27436228E-03 -.29375870E-03 -.30884575E-03 -.31979136E-03 -.32678928E-03 |
| 291 |
-.33005549E-03 -.32982466E-03 -.32634667E-03 -.31988337E-03 -.31070531E-03 |
| 292 |
-.29908884E-03 -.28531317E-03 -.26965778E-03 -.25239992E-03 -.23381231E-03 |
| 293 |
-.21416110E-03 -.19370396E-03 -.17268840E-03 -.15135032E-03 -.12991272E-03 |
| 294 |
-.10858460E-03 -.87560067E-04 -.67017675E-04 -.47119842E-04 -.28012521E-04 |
| 295 |
-.98249937E-05 .73301671E-05 .23357000E-04 .38175920E-04 .51723364E-04 |
| 296 |
.63951324E-04 .74826772E-04 .84331012E-04 .92458932E-04 .99218206E-04 |
| 297 |
.10462843E-03 .10872021E-03 .11153421E-03 .11312020E-03 .11353606E-03 |
| 298 |
.11284676E-03 .11112339E-03 .10844216E-03 .10488343E-03 .10053078E-03 |
| 299 |
.95470056E-04 .89788497E-04 .83573909E-04 .76913851E-04 .69894883E-04 |
| 300 |
.62601872E-04 .55117348E-04 .47520913E-04 .39888714E-04 .32292973E-04 |
| 301 |
.24801577E-04 .17477727E-04 .10379646E-04 .35603507E-05 -.29325299E-05 |
| 302 |
-.90568714E-05 -.14776122E-04 -.20059320E-04 -.24881058E-04 -.29221412E-04 |
| 303 |
-.33065816E-04 -.36404904E-04 -.39234321E-04 -.41554491E-04 -.43370362E-04 |
| 304 |
-.44691131E-04 -.45529938E-04 -.45903551E-04 -.45832027E-04 -.45338375E-04 |
| 305 |
-.44448200E-04 -.43189350E-04 -.41591557E-04 -.39686087E-04 -.37505390E-04 |
| 306 |
-.35082753E-04 -.32451976E-04 -.29647049E-04 -.26701844E-04 -.23649833E-04 |
| 307 |
-.20523810E-04 -.17355641E-04 -.14176032E-04 -.11014321E-04 -.78982827E-05 |
| 308 |
-.48539668E-05 -.19055520E-05 .92477448E-06 .36169158E-05 .61529415E-05 |
| 309 |
.85171410E-05 .10696057E-04 .12678496E-04 .14455523E-04 .16020431E-04 |
| 310 |
.17368700E-04 .18497933E-04 .19407782E-04 .20099856E-04 .20577621E-04 |
| 311 |
.20846281E-04 .20912660E-04 .20785065E-04 .20473154E-04 .19987785E-04 |
| 312 |
.19340871E-04 .18545235E-04 .17614450E-04 .16562694E-04 .15404599E-04 |
| 313 |
.14155106E-04 .12829317E-04 .11442362E-04 .10009266E-04 .85448185E-05 |
| 314 |
.70634612E-05 .55791739E-05 .41053735E-05 .26548220E-05 .12395425E-05 |
| 315 |
-.12925334E-06 -.14412292E-05 -.26869768E-05 -.38580596E-05 -.49470451E-05 |
| 316 |
-.59475284E-05 -.68541453E-05 -.76625765E-05 -.83695420E-05 -.89727877E-05 |
| 317 |
-.94710631E-05 -.98640917E-05 -.10152535E-04 -.10337946E-04 -.10422727E-04 |
| 318 |
-.10410066E-04 -.10303884E-04 -.10108772E-04 -.98299213E-05 -.94730568E-05 |
| 319 |
-.90443672E-05 -.85504326E-05 -.79981518E-05 -.73946709E-05 -.67473112E-05 |
| 320 |
-.60634995E-05 -.53506995E-05 -.46163455E-05 -.38677795E-05 -.31121908E-05 |
| 321 |
-.23565597E-05 -.16076047E-05 -.87173441E-06 -.15500346E-06 .53692665E-06 |
| 322 |
.11988219E-05 .18259052E-05 .24138810E-05 .29589543E-05 .34578455E-05 |
| 323 |
.39077997E-05 .43065915E-05 .46525247E-05 .49444280E-05 .51816457E-05 |
| 324 |
.53640255E-05 .54919009E-05 .55660712E-05 .55877780E-05 .55586784E-05 |
| 325 |
.54808159E-05 .53565894E-05 .51887191E-05 .49802123E-05 .47343270E-05 |
| 326 |
.44545347E-05 .41444834E-05 .38079592E-05 .34488492E-05 .30711044E-05 |
| 327 |
.26787028E-05 .22756145E-05 .18657675E-05 .14530150E-05 .10411046E-05 |
| 328 |
.63364981E-06 .23410279E-06 -.15426965E-06 -.52840821E-06 -.88548061E-06 |
| 329 |
-.12228984E-05 -.15383315E-05 -.18297190E-05 -.20952791E-05 -.23335143E-05 |
| 330 |
-.25432154E-05 -.27234626E-05 -.28736234E-05 -.29933493E-05 -.30825689E-05 |
| 331 |
-.31414799E-05 -.31705385E-05 -.31704468E-05 -.31421393E-05 -.30867669E-05 |
| 332 |
-.30056800E-05 -.29004106E-05 -.27726531E-05 -.26242444E-05 -.24571436E-05 |
| 333 |
-.22734112E-05 -.20751878E-05 -.18646732E-05 -.16441058E-05 -.14157414E-05 |
| 334 |
-.11818338E-05 -.94461476E-06 -.70627584E-06 -.46895046E-06 -.23469733E-06 |
| 335 |
-.54849251E-08 .21682277E-06 .43047913E-06 .63386644E-06 .82550591E-06 |
| 336 |
.10040662E-05 .11683706E-05 .13174022E-05 .14503083E-05 .15664022E-05 |
| 337 |
.16651647E-05 .17462435E-05 .18094507E-05 .18547602E-05 .18823026E-05 |
| 338 |
.18923598E-05 .18853577E-05 .18618583E-05 .18225512E-05 .17682434E-05 |
| 339 |
.16998492E-05 .16183790E-05 .15249275E-05 .14206625E-05 .13068119E-05 |
| 340 |
.11846516E-05 .10554933E-05 .92067201E-06 .78153347E-06 .63942272E-06 |
| 341 |
.49567220E-06 .35159066E-06 .20845250E-06 .67487760E-07 -.70127289E-07 |
| 342 |
-.20327878E-06 -.33092312E-06 -.45209402E-06 -.56590870E-06 -.67157317E-06 |
| 343 |
-.76838657E-06 -.85574470E-06 -.93314249E-06 -.10001756E-05 -.10565413E-05 |
| 344 |
-.11020378E-05 -.11365640E-05 -.11601167E-05 -.11727885E-05 -.11747644E-05 |
| 345 |
-.11663173E-05 -.11478035E-05 -.11196572E-05 -.10823849E-05 -.10365589E-05 |
| 346 |
-.98281020E-06 -.92182220E-06 -.85432280E-06 -.78107713E-06 -.70287991E-06 |
| 347 |
-.62054778E-06 -.53491166E-06 -.44680917E-06 -.35707723E-06 -.26654483E-06 |
| 348 |
-.17602606E-06 -.86313511E-07 .18280737E-08 .87667637E-07 .17051326E-06 |
| 349 |
.24971712E-06 .32467994E-06 .39485490E-06 .45975101E-06 .51893591E-06 |
| 350 |
.57203808E-06 .61874850E-06 .65882166E-06 .69207614E-06 .71839446E-06 |
| 351 |
.73772246E-06 .75006822E-06 .75550031E-06 .75414575E-06 .74618735E-06 |
| 352 |
.73186078E-06 .71145113E-06 .68528928E-06 .65374782E-06 .61723680E-06 |
| 353 |
.57619927E-06 .53110660E-06 .48245369E-06 .43075414E-06 .37653531E-06 |
| 354 |
.32033343E-06 .26268877E-06 .20414083E-06 .14522371E-06 .86461636E-07 |
| 355 |
.28364650E-07 -.28575431E-07 -.83888838E-07 -.13713137E-06 -.18788759E-06 |
| 356 |
-.23577378E-06 -.28044041E-06 -.32157438E-06 -.35890085E-06 -.39218468E-06 |
| 357 |
-.42123149E-06 -.44588842E-06 -.46604439E-06 -.48163010E-06 -.49261765E-06 |
| 358 |
-.49901974E-06 -.50088864E-06 -.49831479E-06 -.49142511E-06 -.48038105E-06 |
| 359 |
-.46537636E-06 -.44663468E-06 -.42440689E-06 -.39896831E-06 -.37061575E-06 |
| 360 |
-.33966443E-06 -.30644483E-06 -.27129949E-06 -.23457975E-06 -.19664255E-06 |
| 361 |
-.15784715E-06 -.11855201E-06 -.79111711E-07 -.39873975E-07 -.11768050E-08 |
| 362 |
.36654207E-07 .73308410E-07 .10849244E-06 .14193238E-06 .17337564E-06 |
| 363 |
.20259271E-06 .22937860E-06 .25355406E-06 .27496653E-06 .29349090E-06 |
| 364 |
.30902994E-06 .32151454E-06 .33090364E-06 .33718401E-06 .34036972E-06 |
| 365 |
.34050140E-06 .33764530E-06 .33189219E-06 .32335597E-06 .31217222E-06 |
| 366 |
.29849654E-06 .28250276E-06 .26438102E-06 .24433581E-06 .22258386E-06 |
| 367 |
.19935199E-06 .17487494E-06 .14939320E-06 .12315073E-06 .96392873E-07 |
| 368 |
.69364109E-07 .42306026E-07 .15455264E-07 -.10958415E-07 -.36713971E-07 |
| 369 |
-.61600805E-07 -.85420362E-07 -.10798758E-06 -.12913223E-06 -.14870002E-06 |
| 370 |
-.16655364E-06 -.18257358E-06 -.19665877E-06 -.20872705E-06 -.21871553E-06 |
| 371 |
-.22658070E-06 -.23229838E-06 -.23586355E-06 -.23729001E-06 -.23660979E-06 |
| 372 |
-.23387259E-06 -.22914492E-06 -.22250919E-06 -.21406266E-06 -.20391632E-06 |
| 373 |
-.19219361E-06 -.17902912E-06 -.16456717E-06 -.14896040E-06 -.13236825E-06 |
| 374 |
-.11495545E-06 -.96890487E-07 -.78344077E-07 -.59487632E-07 -.40491772E-07 |
| 375 |
-.21524866E-07 -.27516156E-08 .15668287E-07 .33581443E-07 .50841947E-07 |
| 376 |
.67312494E-07 .82865395E-07 .97383488E-07 .11076094E-06 .12290394E-06 |
| 377 |
.13373125E-06 .14317469E-06 .15117943E-06 .15770424E-06 .16272152E-06 |
| 378 |
.16621732E-06 .16819119E-06 .16865586E-06 .16763693E-06 .16517238E-06 |
| 379 |
.16131197E-06 .15611662E-06 .14965762E-06 .14201587E-06 .13328092E-06 |
| 380 |
.12355009E-06 .11292744E-06 .10152275E-06 .89450460E-07 .76828596E-07 |
| 381 |
.63777667E-07 .50419586E-07 .36876582E-07 .23270141E-07 .97199680E-08 |
| 382 |
-.36570146E-08 -.16747623E-07 -.29443320E-07 -.41641064E-07 -.53244099E-07 |
| 383 |
-.64162665E-07 -.74314648E-07 -.83626139E-07 -.92031922E-07 -.99475872E-07 |
| 384 |
-.10591127E-06 -.11130102E-06 -.11561781E-06 -.11884414E-06 -.12097230E-06 |
| 385 |
-.12200426E-06 -.12195147E-06 -.12083455E-06 -.11868301E-06 -.11553475E-06 |
| 386 |
-.11143564E-06 -.10643895E-06 -.10060474E-06 -.93999222E-07 -.86694100E-07 |
| 387 |
-.78765811E-07 -.70294799E-07 -.61364738E-07 -.52061750E-07 -.42473618E-07 |
| 388 |
-.32688994E-07 -.22796614E-07 -.12884535E-07 -.30393823E-08 .66543747E-08 |
| 389 |
.16115111E-07 .25264703E-07 .34029138E-07 .42339082E-07 .50130394E-07 |
| 390 |
.57344587E-07 .63929232E-07 .69838304E-07 .75032461E-07 .79479269E-07 |
| 391 |
.83153358E-07 .86036513E-07 .88117703E-07 .89393055E-07 .89865751E-07 |
| 392 |
.89545882E-07 .88450235E-07 .86602031E-07 .84030608E-07 .80771061E-07 |
| 393 |
.76863837E-07 .72354289E-07 .67292201E-07 .61731277E-07 .55728605E-07 |
| 394 |
.49344112E-07 .42639989E-07 .35680116E-07 .28529479E-07 .21253592E-07 |
| 395 |
.13917918E-07 .65873031E-08 -.67457097E-09 -.78057191E-08 -.14746359E-07 |
| 396 |
-.21439392E-07 -.27830847E-07 -.33870297E-07 -.39511234E-07 -.44711401E-07 |
| 397 |
-.49433089E-07 -.53643381E-07 -.57314360E-07 -.60423260E-07 -.62952578E-07 |
| 398 |
-.64890135E-07 -.66229092E-07 -.66967917E-07 -.67110310E-07 -.66665082E-07 |
| 399 |
-.65645991E-07 -.64071541E-07 -.61964743E-07 -.59352837E-07 -.56266990E-07 |
| 400 |
-.52741954E-07 -.48815714E-07 -.44529096E-07 -.39925375E-07 -.35049852E-07 |
| 401 |
-.29949436E-07 -.24672205E-07 -.19266974E-07 -.13782862E-07 -.82688564E-08 |
| 402 |
-.27733981E-08 .26560326E-08 .79733100E-08 .13134039E-07 .18095912E-07 |
| 403 |
.22819039E-07 .27266253E-07 .31403391E-07 .35199532E-07 .38627222E-07 |
| 404 |
.41662645E-07 .44285777E-07 .46480495E-07 .48234651E-07 .49540117E-07 |
| 405 |
.50392785E-07 .50792542E-07 .50743205E-07 .50252424E-07 .49331553E-07 |
| 406 |
.47995495E-07 .46262514E-07 .44154023E-07 .41694350E-07 .38910480E-07 |
| 407 |
.35831778E-07 .32489697E-07 .28917475E-07 .25149817E-07 .21222572E-07 |
| 408 |
.17172404E-07 .13036464E-07 .88520584E-08 .46563239E-08 .48591144E-09 |
| 409 |
-.36233256E-08 -.76366282E-08 -.11520615E-07 -.15243550E-07 -.18775592E-07 |
| 410 |
-.22089019E-07 -.25158441E-07 -.27960980E-07 -.30476427E-07 -.32687378E-07 |
| 411 |
-.34579342E-07 -.36140815E-07 -.37363342E-07 -.38241535E-07 -.38773075E-07 |
| 412 |
-.38958688E-07 -.38802085E-07 -.38309891E-07 -.37491535E-07 -.36359132E-07 |
| 413 |
-.34927336E-07 -.33213168E-07 -.31235842E-07 -.29016557E-07 -.26578288E-07 |
| 414 |
-.23945557E-07 -.21144202E-07 -.18201127E-07 -.15144058E-07 -.12001289E-07 |
| 415 |
-.88014270E-08 -.55731429E-08 -.23449199E-08 .85518884E-09 .39997971E-08 |
| 416 |
.70624121E-08 .10017650E-07 .12841440E-07 .15511212E-07 .18006069E-07 |
| 417 |
.20306944E-07 .22396735E-07 .24260429E-07 .25885194E-07 .27260464E-07 |
| 418 |
.28377989E-07 .29231882E-07 .29818625E-07 .30137069E-07 .30188412E-07 |
| 419 |
.29976146E-07 .29505999E-07 .28785851E-07 .27825634E-07 .26637215E-07 |
| 420 |
.25234264E-07 .23632114E-07 .21847599E-07 .19898886E-07 .17805304E-07 |
| 421 |
.15587153E-07 .13265518E-07 .10862076E-07 .83988960E-08 .58982453E-08 |
| 422 |
.33823929E-08 .87341716E-09 -.16069829E-08 -.40376697E-08 -.63982416E-08 |
| 423 |
-.86691993E-08 -.10832101E-07 -.12869709E-07 -.14766115E-07 -.16506870E-07 |
| 424 |
-.18079075E-07 -.19471482E-07 -.20674560E-07 -.21680557E-07 -.22483541E-07 |
| 425 |
-.23079423E-07 -.23465968E-07 -.23642791E-07 -.23611326E-07 -.23374796E-07 |
| 426 |
-.22938157E-07 -.22308027E-07 -.21492609E-07 -.20501600E-07 -.19346078E-07 |
| 427 |
-.18038394E-07 -.16592045E-07 -.15021541E-07 -.13342262E-07 -.11570318E-07 |
| 428 |
-.97223975E-08 -.78156128E-08 -.58673483E-08 -.38951057E-08 -.19163504E-08 |
| 429 |
.51638444E-10 .19919154E-08 .38880104E-08 .57240650E-08 .74849610E-08 |
| 430 |
.91564410E-08 .10725220E-07 .12179086E-07 .13506993E-07 .14699139E-07 |
| 431 |
.15747033E-07 .16643553E-07 .17382984E-07 .17961056E-07 .18374953E-07 |
| 432 |
.18623322E-07 .18706264E-07 .18625312E-07 .18383400E-07 .17984818E-07 |
| 433 |
.17435155E-07 .16741234E-07 .15911038E-07 .14953620E-07 .13879017E-07 |
| 434 |
.12698144E-07 .11422691E-07 .10065010E-07 .86379991E-08 .71549846E-08 |
| 435 |
.56295989E-08 .40756584E-08 .25070421E-08 .93756996E-09 -.61911552E-09 |
| 436 |
-.21496651E-08 -.36411346E-08 -.50810912E-08 -.64577143E-08 -.77598902E-08 |
| 437 |
-.89772979E-08 -.10100489E-07 -.11120957E-07 -.12031198E-07 -.12824765E-07 |
| 438 |
-.13496307E-07 -.14041600E-07 -.14457573E-07 -.14742315E-07 -.14895079E-07 |
| 439 |
-.14916271E-07 -.14807432E-07 -.14571213E-07 -.14211332E-07 -.13732531E-07 |
| 440 |
-.13140521E-07 -.12441921E-07 -.11644186E-07 -.10755536E-07 -.97848685E-08 |
| 441 |
-.87416795E-08 -.76359690E-08 -.64781496E-08 -.52789505E-08 -.40493209E-08 |
| 442 |
-.28003321E-08 -.15430801E-08 -.28858937E-09 .95228174E-09 .21689328E-08 |
| 443 |
.33511099E-08 .44889898E-08 .55732592E-08 .65951894E-08 .75467040E-08 |
| 444 |
.84204402E-08 .92098039E-08 .99090168E-08 .10513156E-07 .11018185E-07 |
| 445 |
.11420979E-07 .11719338E-07 .11911997E-07 .11998622E-07 .11979804E-07 |
| 446 |
.11857039E-07 .11632708E-07 .11310038E-07 .10893073E-07 .10386621E-07 |
| 447 |
.97962035E-08 .91280042E-08 .83888013E-08 .75859037E-08 .67270812E-08 |
| 448 |
.58204909E-08 .48746020E-08 .38981185E-08 .28999009E-08 .18888876E-08 |
| 449 |
.87401653E-09 -.13585227E-09 -.11320123E-08 -.21059843E-08 -.30495862E-08 |
| 450 |
-.39550013E-08 -.48148404E-08 -.56222010E-08 -.63707209E-08 -.70546268E-08 |
| 451 |
-.76687766E-08 -.82086964E-08 -.86706112E-08 -.90514685E-08 -.93489562E-08 |
| 452 |
-.95615132E-08 -.96883342E-08 -.97293668E-08 -.96853033E-08 -.95575651E-08 |
| 453 |
-.93482819E-08 -.90602643E-08 -.86969713E-08 -.82624724E-08 -.77614051E-08 |
| 454 |
-.71989276E-08 -.65806679E-08 -.59126694E-08 -.52013337E-08 -.44533605E-08 |
| 455 |
-.36756862E-08 -.28754209E-08 -.20597849E-08 -.12360448E-08 -.41144973E-09 |
| 456 |
.40683075E-09 .12117680E-08 .19965336E-08 .27545557E-08 .34795730E-08 |
| 457 |
atomic pseudo charge-density |
| 458 |
.10000000E+02 .99890372E+01 .99562530E+01 .99019569E+01 .98266570E+01 |
| 459 |
.97310482E+01 .96159969E+01 .94825221E+01 .93317741E+01 .91650117E+01 |
| 460 |
.89835779E+01 .87888765E+01 .85823483E+01 .83654494E+01 .81396305E+01 |
| 461 |
.79063186E+01 .76669018E+01 .74227149E+01 .71750295E+01 .69250448E+01 |
| 462 |
.66738820E+01 .64225799E+01 .61720928E+01 .59232900E+01 .56769568E+01 |
| 463 |
.54337959E+01 .51944311E+01 .49594100E+01 .47292085E+01 .45042351E+01 |
| 464 |
.42848354E+01 .40712969E+01 .38638531E+01 .36626888E+01 .34679437E+01 |
| 465 |
.32797173E+01 .30980722E+01 .29230383E+01 .27546161E+01 .25927800E+01 |
| 466 |
.24374811E+01 .22886505E+01 .21462010E+01 .20100303E+01 .18800226E+01 |
| 467 |
.17560505E+01 .16379770E+01 .15256572E+01 .14189392E+01 .13176659E+01 |
| 468 |
.12216760E+01 .11308050E+01 .10448862E+01 .96375155E+00 .88723242E+00 |
| 469 |
.81516016E+00 .74736681E+00 .68368555E+00 .62395121E+00 .56800066E+00 |
| 470 |
.51567315E+00 .46681063E+00 .42125802E+00 .37886341E+00 .33947828E+00 |
| 471 |
.30295762E+00 .26916013E+00 .23794825E+00 .20918829E+00 .18275048E+00 |
| 472 |
.15850902E+00 .13634211E+00 .11613196E+00 .97764785E-01 .81130813E-01 |
| 473 |
.66124254E-01 .52643274E-01 .40589956E-01 .29870261E-01 .20393973E-01 |
| 474 |
.12074648E-01 .48295493E-02 -.14204149E-02 -.67507596E-02 -.11233496E-01 |
| 475 |
-.14937205E-01 -.17927114E-01 -.20265179E-01 -.22010159E-01 -.23217706E-01 |
| 476 |
-.23940443E-01 -.24228051E-01 -.24127356E-01 -.23682410E-01 -.22934584E-01 |
| 477 |
-.21922649E-01 -.20682866E-01 -.19249072E-01 -.17652767E-01 -.15923198E-01 |
| 478 |
-.14087448E-01 -.12170517E-01 -.10195410E-01 -.81832199E-02 -.61532087E-02 |
| 479 |
-.41228896E-02 -.21081084E-02 -.12312228E-03 .18193221E-02 .37079115E-02 |
| 480 |
.55326910E-02 .72849899E-02 .89573494E-02 .10543452E-01 .12038051E-01 |
| 481 |
.13436907E-01 .14736716E-01 .15935051E-01 .17030296E-01 .18021590E-01 |
| 482 |
.18908763E-01 .19692286E-01 .20373210E-01 .20953117E-01 .21434070E-01 |
| 483 |
.21818563E-01 .22109474E-01 .22310019E-01 .22423714E-01 .22454330E-01 |
| 484 |
.22405855E-01 .22282457E-01 .22088452E-01 .21828266E-01 .21506409E-01 |
| 485 |
.21127443E-01 .20695955E-01 .20216532E-01 .19693736E-01 .19132085E-01 |
| 486 |
.18536030E-01 .17909937E-01 .17258074E-01 .16584587E-01 .15893497E-01 |
| 487 |
.15188679E-01 .14473856E-01 .13752590E-01 .13028271E-01 .12304112E-01 |
| 488 |
.11583144E-01 .10868213E-01 .10161972E-01 .94668846E-02 .87852225E-02 |
| 489 |
.81190639E-02 .74702956E-02 .68406149E-02 .62315321E-02 .56443737E-02 |
| 490 |
.50802866E-02 .45402425E-02 .40250436E-02 .35353278E-02 .30715755E-02 |
| 491 |
.26341155E-02 .22231327E-02 .18386749E-02 .14806604E-02 .11488860E-02 |
| 492 |
.84303473E-03 .56268369E-03 .30731248E-03 .76311157E-04 -.13101162E-03 |
| 493 |
-.31542050E-03 -.47774544E-03 -.61887383E-03 -.73974269E-03 -.84133116E-03 |
| 494 |
-.92465311E-03 -.99074996E-03 -.10406838E-02 -.10755307E-02 -.10963744E-02 |
| 495 |
-.11043004E-02 -.11003898E-02 -.10857145E-02 -.10613317E-02 -.10282790E-02 |
| 496 |
-.98757076E-03 -.94019333E-03 -.88710180E-03 -.82921659E-03 -.76742052E-03 |
| 497 |
-.70255622E-03 -.63542391E-03 -.56677949E-03 -.49733298E-03 -.42774733E-03 |
| 498 |
-.35863750E-03 -.29056984E-03 -.22406181E-03 -.15958199E-03 -.97550261E-04 |
| 499 |
-.38338389E-04 .17729274E-04 .70374798E-04 .11936550E-03 .16451255E-03 |
| 500 |
.20566947E-03 .24273035E-03 .27562806E-03 .30433227E-03 .32884730E-03 |
| 501 |
.34921002E-03 .36548758E-03 .37777507E-03 .38619319E-03 .39088586E-03 |
| 502 |
.39201784E-03 .38977233E-03 .38434857E-03 .37595952E-03 .36482953E-03 |
| 503 |
.35119208E-03 .33528760E-03 .31736131E-03 .29766123E-03 .27643614E-03 |
| 504 |
.25393383E-03 .23039924E-03 .20607290E-03 .18118933E-03 .15597569E-03 |
| 505 |
.13065042E-03 .10542214E-03 .80488552E-04 .56035562E-04 .32236461E-04 |
| 506 |
.92512703E-05 -.12773800E-04 -.33706778E-04 -.53430228E-04 -.71841442E-04 |
| 507 |
-.88852514E-04 -.10439031E-03 -.11839633E-03 -.13082650E-03 -.14165082E-03 |
| 508 |
-.15085297E-03 -.15842985E-03 -.16439100E-03 -.16875798E-03 -.17156369E-03 |
| 509 |
-.17285166E-03 -.17267525E-03 -.17109685E-03 -.16818704E-03 -.16402371E-03 |
| 510 |
-.15869121E-03 -.15227940E-03 -.14488283E-03 -.13659977E-03 -.12753138E-03 |
| 511 |
-.11778083E-03 -.10745244E-03 -.96650856E-04 -.85480256E-04 -.74043600E-04 |
| 512 |
-.62441899E-04 -.50773536E-04 -.39133631E-04 -.27613449E-04 -.16299871E-04 |
| 513 |
-.52748956E-05 .53847825E-05 .15608158E-04 .25330234E-04 .34492292E-04 |
| 514 |
.43042103E-04 .50934085E-04 .58129403E-04 .64596023E-04 .70308707E-04 |
| 515 |
.75248966E-04 .79404955E-04 .82771332E-04 .85349072E-04 .87145234E-04 |
| 516 |
.88172706E-04 .88449898E-04 .88000418E-04 .86852713E-04 .85039693E-04 |
| 517 |
.82598326E-04 .79569225E-04 .75996212E-04 .71925886E-04 .67407169E-04 |
| 518 |
.62490860E-04 .57229188E-04 .51675365E-04 .45883146E-04 .39906407E-04 |
| 519 |
.33798724E-04 .27612974E-04 .21400954E-04 .15213018E-04 .90977377E-05 |
| 520 |
.31015825E-05 -.27313676E-05 -.83596884E-05 -.13744847E-04 -.18851408E-04 |
| 521 |
-.23647214E-04 -.28103530E-04 -.32195165E-04 -.35900553E-04 -.39201818E-04 |
| 522 |
-.42084794E-04 -.44539031E-04 -.46557761E-04 -.48137841E-04 -.49279676E-04 |
| 523 |
-.49987108E-04 -.50267286E-04 -.50130519E-04 -.49590099E-04 -.48662117E-04 |
| 524 |
-.47365259E-04 -.45720580E-04 -.43751282E-04 -.41482467E-04 -.38940891E-04 |
| 525 |
-.36154710E-04 -.33153221E-04 -.29966601E-04 -.26625650E-04 -.23161532E-04 |
| 526 |
-.19605521E-04 -.15988759E-04 -.12342010E-04 -.86954328E-05 -.50783628E-05 |
| 527 |
-.15191029E-05 .19552697E-05 .53190827E-05 .85482325E-05 .11620331E-04 |
| 528 |
.14514838E-04 .17213171E-04 .19698799E-04 .21957326E-04 .23976537E-04 |
| 529 |
.25746449E-04 .27259325E-04 .28509677E-04 .29494257E-04 .30212019E-04 |
| 530 |
.30664076E-04 .30853634E-04 .30785915E-04 .30468063E-04 .29909042E-04 |
| 531 |
.29119519E-04 .28111736E-04 .26899375E-04 .25497415E-04 .23921979E-04 |
| 532 |
.22190180E-04 .20319961E-04 .18329933E-04 .16239208E-04 .14067241E-04 |
| 533 |
.11833661E-04 .95581150E-05 .72601091E-05 .49588586E-05 .26731409E-05 |
| 534 |
.42115707E-06 -.17795999E-05 -.39124672E-05 -.59617260E-05 -.79127041E-05 |
| 535 |
-.97518687E-05 -.11466908E-04 -.13046800E-04 -.14481873E-04 -.15763849E-04 |
| 536 |
-.16885879E-04 -.17842565E-04 -.18629971E-04 -.19245617E-04 -.19688471E-04 |
| 537 |
-.19958922E-04 -.20058743E-04 -.19991049E-04 -.19760239E-04 -.19371932E-04 |
| 538 |
-.18832899E-04 -.18150975E-04 -.17334980E-04 -.16394621E-04 -.15340398E-04 |
| 539 |
-.14183499E-04 -.12935698E-04 -.11609243E-04 -.10216752E-04 -.87710986E-05 |
| 540 |
-.72853075E-05 -.57724417E-05 -.42454988E-05 -.27173069E-05 -.12004248E-05 |
| 541 |
.29295348E-06 .17510898E-05 .31627867E-05 .45174663E-05 .58052430E-05 |
| 542 |
.70169886E-05 .81443899E-05 .91799992E-05 .10117276E-04 .10950622E-04 |
| 543 |
.11675405E-04 .12287977E-04 .12785684E-04 .13166866E-04 .13430850E-04 |
| 544 |
.13577936E-04 .13609373E-04 .13527330E-04 .13334858E-04 .13035852E-04 |
| 545 |
.12634996E-04 .12137711E-04 .11550097E-04 .10878870E-04 .10131293E-04 |
| 546 |
.93151047E-05 .84384509E-05 .75098063E-05 .65379007E-05 .55316418E-05 |
| 547 |
.45000393E-05 .34521293E-05 .23969003E-05 .13432200E-05 .29976609E-06 |
| 548 |
-.72504132E-06 -.17231034E-05 -.26867024E-05 -.36085573E-05 -.44818748E-05 |
| 549 |
-.53003953E-05 -.60584339E-05 -.67509155E-05 -.73734046E-05 -.79221292E-05 |
| 550 |
-.83939988E-05 -.87866167E-05 -.90982862E-05 -.93280108E-05 -.94754891E-05 |
| 551 |
-.95411042E-05 -.95259069E-05 -.94315946E-05 -.92604852E-05 -.90154856E-05 |
| 552 |
-.87000577E-05 -.83181781E-05 -.78742969E-05 -.73732913E-05 -.68204177E-05 |
| 553 |
-.62212615E-05 -.55816847E-05 -.49077725E-05 -.42057792E-05 -.34820734E-05 |
| 554 |
-.27430833E-05 -.19952428E-05 -.12449382E-05 -.49845692E-06 .23806330E-06 |
| 555 |
.95868157E-06 .16576995E-05 .23297038E-05 .29696054E-05 .35726759E-05 |
| 556 |
.41345797E-05 .46514028E-05 .51196771E-05 .55364014E-05 .58990573E-05 |
| 557 |
.62056212E-05 .64545724E-05 .66448962E-05 .67760834E-05 .68481250E-05 |
| 558 |
.68615037E-05 .68171806E-05 .67165791E-05 .65615643E-05 .63544199E-05 |
| 559 |
.60978218E-05 .57948091E-05 .54487517E-05 .50633174E-05 .46424356E-05 |
| 560 |
.41902603E-05 .37111314E-05 .32095357E-05 .26900671E-05 .21573864E-05 |
| 561 |
.16161813E-05 .10711276E-05 .52684998E-06 -.12115283E-07 -.54135631E-06 |
| 562 |
-.10566202E-05 -.15538456E-05 -.20291931E-05 -.24790730E-05 -.29001713E-05 |
| 563 |
-.32894720E-05 -.36442771E-05 -.39622238E-05 -.42412978E-05 -.44798446E-05 |
| 564 |
-.46765764E-05 -.48305771E-05 -.49413032E-05 -.50085819E-05 -.50326061E-05 |
| 565 |
-.50139267E-05 -.49534417E-05 -.48523829E-05 -.47122997E-05 -.45350409E-05 |
| 566 |
-.43227344E-05 -.40777641E-05 -.38027463E-05 -.35005036E-05 -.31740379E-05 |
| 567 |
-.28265022E-05 -.24611721E-05 -.20814162E-05 -.16906660E-05 -.12923871E-05 |
| 568 |
-.89004901E-06 -.48709622E-06 -.86920136E-07 .30716855E-06 .69196605E-06 |
| 569 |
.10644005E-05 .14215553E-05 .17606909E-05 .20792650E-05 .23749499E-05 |
| 570 |
.26456488E-05 .28895095E-05 .31049355E-05 .32905952E-05 .34454287E-05 |
| 571 |
.35686523E-05 .36597600E-05 .37185234E-05 .37449891E-05 .37394736E-05 |
| 572 |
.37025563E-05 .36350700E-05 .35380903E-05 .34129221E-05 .32610850E-05 |
| 573 |
.30842975E-05 .28844585E-05 .26636292E-05 .24240130E-05 .21679342E-05 |
| 574 |
.18978175E-05 .16161652E-05 .13255353E-05 .10285194E-05 .72772006E-06 |
| 575 |
.42572905E-06 .12510573E-06 -.17164382E-06 -.46208694E-06 -.74388362E-06 |
| 576 |
-.10148045E-05 -.12727479E-05 -.15157553E-05 -.17420252E-05 -.19499262E-05 |
| 577 |
-.21380075E-05 -.23050081E-05 -.24498648E-05 -.25717173E-05 -.26699126E-05 |
| 578 |
-.27440069E-05 -.27937661E-05 -.28191641E-05 -.28203802E-05 -.27977938E-05 |
| 579 |
-.27519782E-05 -.26836927E-05 -.25938733E-05 -.24836219E-05 -.23541944E-05 |
| 580 |
-.22069877E-05 -.20435259E-05 -.18654454E-05 -.16744791E-05 -.14724408E-05 |
| 581 |
-.12612082E-05 -.10427065E-05 -.81889147E-06 -.59173215E-06 -.36319456E-06 |
| 582 |
-.13522503E-06 .90265796E-07 .31141843E-06 .52643932E-06 .73361490E-06 |
| 583 |
.93132471E-06 .11180535E-05 .12924023E-05 .14530983E-05 .15990038E-05 |
| 584 |
.17291231E-05 .18426092E-05 .19387683E-05 .20170631E-05 .20771150E-05 |
| 585 |
.21187051E-05 .21417727E-05 .21464142E-05 .21328794E-05 .21015669E-05 |
| 586 |
.20530189E-05 .19879136E-05 .19070583E-05 .18113799E-05 .17019156E-05 |
| 587 |
.15798024E-05 .14462657E-05 .13026082E-05 .11501973E-05 .99045256E-06 |
| 588 |
.82483342E-06 .65482584E-06 .48192967E-06 .30764573E-06 .13346322E-06 |
| 589 |
-.39152622E-07 -.20877244E-06 -.37401424E-06 -.53355425E-06 -.68613714E-06 |
| 590 |
-.83058551E-06 -.96580857E-06 -.10908100E-05 -.12046948E-05 -.13066752E-05 |
| 591 |
-.13960759E-05 -.14723376E-05 -.15350202E-05 -.15838045E-05 -.16184932E-05 |
| 592 |
-.16390105E-05 -.16454009E-05 -.16378270E-05 -.16165664E-05 -.15820075E-05 |
| 593 |
-.15346444E-05 -.14750716E-05 -.14039767E-05 -.13221342E-05 -.12303965E-05 |
| 594 |
-.11296866E-05 -.10209887E-05 -.90533895E-06 -.78381630E-06 -.65753252E-06 |
| 595 |
-.52762245E-06 -.39523412E-06 -.26151888E-06 -.12762170E-06 .53283234E-08 |
| 596 |
.13622726E-06 .26400518E-06 .38763464E-06 .50613867E-06 .61859816E-06 |
| 597 |
.72415877E-06 .82203703E-06 .91152591E-06 .99199954E-06 .10629173E-05 |
| 598 |
.11238269E-05 .11743670E-05 .12142689E-05 .12433572E-05 .12615499E-05 |
| 599 |
.12688579E-05 .12653830E-05 .12513165E-05 .12269352E-05 .11925986E-05 |
| 600 |
.11487444E-05 .10958834E-05 .10345944E-05 .96551827E-06 .88935158E-06 |
| 601 |
.80683989E-06 .71877082E-06 .62596683E-06 .52927772E-06 .42957318E-06 |
| 602 |
.32773515E-06 .22465026E-06 .12120232E-06 .18264981E-07 -.83305468E-07 |
| 603 |
-.18267698E-06 -.27904839E-06 -.37165562E-06 -.45977755E-06 -.54274143E-06 |
| 604 |
-.61992775E-06 -.69077464E-06 -.75478173E-06 -.81151341E-06 -.86060149E-06 |
| 605 |
-.90174730E-06 -.93472312E-06 -.95937306E-06 -.97561326E-06 -.98343152E-06 |
| 606 |
-.98288637E-06 -.97410546E-06 -.95728352E-06 -.93267968E-06 -.90061441E-06 |
| 607 |
-.86146584E-06 -.81566581E-06 -.76369543E-06 -.70608032E-06 -.64338557E-06 |
| 608 |
-.57621042E-06 -.50518275E-06 -.43095339E-06 -.35419036E-06 -.27557305E-06 |
| 609 |
-.19578632E-06 -.11551475E-06 -.35436910E-07 .43780222E-07 .12148666E-06 |
| 610 |
.19705457E-06 .26988321E-06 .33940350E-06 .40508238E-06 .46642662E-06 |
| 611 |
.52298646E-06 .57435862E-06 .62018906E-06 .66017516E-06 .69406748E-06 |
| 612 |
.72167112E-06 .74284644E-06 .75750953E-06 .76563197E-06 .76724035E-06 |
| 613 |
.76241517E-06 .75128945E-06 .73404675E-06 .71091899E-06 .68218379E-06 |
| 614 |
.64816144E-06 .60921167E-06 .56573002E-06 .51814409E-06 .46690945E-06 |
| 615 |
.41250548E-06 .35543100E-06 .29619988E-06 .23533650E-06 .17337126E-06 |
| 616 |
.11083610E-06 .48259996E-07 -.13835327E-07 -.74939668E-07 -.13455841E-06 |
| 617 |
-.19221640E-06 -.24746163E-06 -.29986863E-06 -.34904162E-06 -.39461741E-06 |
| 618 |
-.43626787E-06 -.47370221E-06 -.50666881E-06 -.53495677E-06 -.55839707E-06 |
| 619 |
-.57686331E-06 -.59027225E-06 -.59858378E-06 -.60180066E-06 -.59996791E-06 |
| 620 |
-.59317179E-06 -.58153851E-06 -.56523260E-06 -.54445500E-06 -.51944089E-06 |
| 621 |
-.49045720E-06 -.45780002E-06 -.42179166E-06 -.38277765E-06 -.34112351E-06 |
| 622 |
-.29721150E-06 -.25143716E-06 -.20420588E-06 -.15592938E-06 -.10702227E-06 |
| 623 |
-.57898509E-07 -.89680541E-08 .39366504E-07 .86713151E-07 .13269353E-06 |
| 624 |
.17694590E-06 .21912784E-06 .25891885E-06 .29602265E-06 .33016931E-06 |
| 625 |
.36111708E-06 .38865399E-06 .41259922E-06 .43280407E-06 .44915281E-06 |
| 626 |
.46156312E-06 .46998635E-06 .47440738E-06 .47484433E-06 .47134792E-06 |
| 627 |
.46400060E-06 .45291543E-06 .43823471E-06 .42012843E-06 .39879244E-06 |
| 628 |
.37444653E-06 .34733224E-06 .31771061E-06 .28585974E-06 .25207228E-06 |
| 629 |
.21665282E-06 .17991523E-06 .14217991E-06 .10377116E-06 .65014363E-07 |
| 630 |
.26233367E-07 -.12252182E-07 -.50129393E-07 -.87094611E-07 -.12285577E-06 |
| 631 |
-.15713465E-06 -.18966894E-06 -.22021420E-06 -.24854558E-06 -.27445945E-06 |
| 632 |
-.29777474E-06 -.31833410E-06 -.33600493E-06 -.35068007E-06 -.36227835E-06 |
| 633 |
-.37074492E-06 -.37605131E-06 -.37819535E-06 -.37720080E-06 -.37311680E-06 |
| 634 |
-.36601717E-06 -.35599943E-06 -.34318371E-06 -.32771148E-06 -.30974405E-06 |
| 635 |
-.28946107E-06 -.26705876E-06 -.24274810E-06 -.21675294E-06 -.18930795E-06 |
| 636 |
-.16065662E-06 -.13104913E-06 -.10074021E-06 -.69987027E-07 -.39047039E-07 |
| 637 |
-.81759050E-08 .22374577E-07 .52358477E-07 .81537649E-07 .10968358E-06 |
| 638 |
.13657912E-06 .16202009E-06 .18581680E-06 .20779538E-06 .22779901E-06 |
| 639 |
.24568896E-06 .26134550E-06 .27466861E-06 .28557855E-06 .29401626E-06 |
| 640 |
.29994356E-06 .30334318E-06 .30421867E-06 .30259409E-06 .29851354E-06 |
| 641 |
.29204056E-06 .28325738E-06 .27226400E-06 .25917715E-06 .24412915E-06 |
| 642 |
.22726664E-06 .20874919E-06 .18874789E-06 .16744374E-06 .14502616E-06 |
| 643 |
.12169127E-06 .97640253E-07 .73077659E-07 .48209706E-07 .23242584E-07 |
| 644 |
-.16192054E-08 -.26174492E-07 -.50227020E-07 -.73586976E-07 -.96072450E-07 |
| 645 |
-.11751081E-06 -.13773997E-06 -.15660961E-06 -.17398222E-06 -.18973406E-06 |
| 646 |
-.20375600E-06 -.21595423E-06 -.22625084E-06 -.23458423E-06 -.24090945E-06 |
| 647 |
-.24519836E-06 -.24743963E-06 -.24763866E-06 -.24581733E-06 -.24201364E-06 |
| 648 |
-.23628119E-06 -.22868858E-06 -.21931870E-06 -.20826786E-06 -.19564487E-06 |
| 649 |
-.18157003E-06 -.16617401E-06 -.14959670E-06 -.13198594E-06 -.11349627E-06 |
| 650 |
-.94287586E-07 -.74523803E-07 -.54371484E-07 -.33998464E-07 -.13572488E-07 |
| 651 |
.67401425E-08 .26775892E-07 .46375279E-07 .65384115E-07 .83654685E-07 |
| 652 |
.10104687E-06 .11742918E-06 .13267975E-06 .14668716E-06 .15935126E-06 |
| 653 |
.17058387E-06 .18030928E-06 .18846481E-06 .19500113E-06 .19988252E-06 |
| 654 |
.20308701E-06 .20460641E-06 .20444622E-06 .20262546E-06 .19917636E-06 |
| 655 |
.19414395E-06 .18758557E-06 .17957030E-06 .17017824E-06 .15949980E-06 |
| 656 |
.14763480E-06 .13469163E-06 .12078627E-06 .10604125E-06 .90584633E-07 |
| 657 |
.74548919E-07 .58069923E-07 .41285656E-07 .24335193E-07 .73575421E-08 |
| 658 |
15.1178079086313861 T |
| 659 |
Non local Part |
| 660 |
2 2 1.60783796536775347 |
| 661 |
10.9995361597666310 -2.62145997968654187 -2.62145997968654187 0.509270725655861844 |
| 662 |
Reciprocal Space Part |
| 663 |
.00000000E+00 .14861775E-01 .59196749E-01 .13225845E+00 .23281794E+00 |
| 664 |
.35918630E+00 .50924537E+00 .68048638E+00 .87005535E+00 .10748047E+01 |
| 665 |
.12913498E+01 .15161293E+01 .17454685E+01 .19756440E+01 .22029482E+01 |
| 666 |
.24237537E+01 .26345741E+01 .28321230E+01 .30133671E+01 .31755745E+01 |
| 667 |
.33163567E+01 .34337036E+01 .35260107E+01 .35920984E+01 .36312234E+01 |
| 668 |
.36430815E+01 .36278026E+01 .35859374E+01 .35184374E+01 .34266272E+01 |
| 669 |
.33121714E+01 .31770353E+01 .30234427E+01 .28538281E+01 .26707884E+01 |
| 670 |
.24770321E+01 .22753281E+01 .20684561E+01 .18591573E+01 .16500887E+01 |
| 671 |
.14437803E+01 .12425961E+01 .10487007E+01 .86403021E+00 .69026937E+00 |
| 672 |
.52883413E+00 .38086047E+00 .24719903E+00 .12841556E+00 .24796917E-01 |
| 673 |
-.63637788E-01 -.13712134E+00 -.19611841E+00 -.24130208E+00 -.27352739E+00 |
| 674 |
-.29380287E+00 -.30326050E+00 -.30312506E+00 -.29468335E+00 -.27925415E+00 |
| 675 |
-.25815934E+00 -.23269690E+00 -.20411628E+00 -.17359632E+00 -.14222643E+00 |
| 676 |
-.11099093E+00 -.80756876E-01 -.52265432E-01 -.26126690E-01 -.28178995E-02 |
| 677 |
.17315100E-01 .34053483E-01 .47298383E-01 .57061516E-01 .63453890E-01 |
| 678 |
.66672990E-01 .66988865E-01 .64729545E-01 .60266207E-01 .53998468E-01 |
| 679 |
.46340186E-01 .37706099E-01 .28499585E-01 .19101779E-01 .98622473E-02 |
| 680 |
.10913473E-02 -.69456460E-02 -.14032617E-01 -.20004909E-01 -.24749924E-01 |
| 681 |
-.28206117E-01 -.30360557E-01 -.31245206E-01 -.30932144E-01 -.29527935E-01 |
| 682 |
-.27167385E-01 -.24006902E-01 -.20217702E-01 -.15979063E-01 -.11471837E-01 |
| 683 |
Real Space Part |
| 684 |
.00000000E+00 .76044216E-02 .30245439E-01 .67412219E-01 .11827285E+00 |
| 685 |
.18170281E+00 .25632327E+00 .34054787E+00 .43263619E+00 .53075194E+00 |
| 686 |
.63302361E+00 .73760552E+00 .84273685E+00 .94679654E+00 .10483521E+01 |
| 687 |
.11462007E+01 .12394006E+01 .13272924E+01 .14095095E+01 .14859765E+01 |
| 688 |
.15568971E+01 .16227312E+01 .16841621E+01 .17420558E+01 .17974136E+01 |
| 689 |
.18513196E+01 .19048858E+01 .19591962E+01 .20152529E+01 .20739250E+01 |
| 690 |
.21359034E+01 .22016624E+01 .22714299E+01 .23451668E+01 .24225568E+01 |
| 691 |
.25030070E+01 .25856579E+01 .26694044E+01 .27529257E+01 .28347230E+01 |
| 692 |
.29131636E+01 .29865310E+01 .30530770E+01 .31110762E+01 .31588796E+01 |
| 693 |
.31949656E+01 .32179879E+01 .32268169E+01 .32205752E+01 .31986643E+01 |
| 694 |
.31607839E+01 .31069407E+01 .30374497E+01 .29529253E+01 .28542644E+01 |
| 695 |
.27426222E+01 .26193806E+01 .24861118E+01 .23445369E+01 .21964828E+01 |
| 696 |
.20438368E+01 .18885013E+01 .17323508E+01 .15771909E+01 .14247206E+01 |
| 697 |
.12765005E+01 .11339257E+01 .99820439E+00 .87034299E+00 .75113777E+00 |
| 698 |
.64117213E+00 .54081990E+00 .45025394E+00 .36945930E+00 .29825042E+00 |
| 699 |
.23629132E+00 .18311803E+00 .13816245E+00 .10077669E+00 .70257121E-01 |
| 700 |
.45867528E-01 .26860581E-01 .12497260E-01 .20637587E-02 -.51143592E-02 |
| 701 |
-.96609218E-02 -.12140841E-01 -.13054671E-01 -.12835862E-01 -.11850460E-01 |
| 702 |
-.10398956E-01 -.87199302E-02 -.69951156E-02 -.53555130E-02 -.38881737E-02 |
| 703 |
-.26433075E-02 -.16413967E-02 -.88004571E-03 -.34033831E-03 .74684857E-05 |
| 704 |
Reciprocal Space Part |
| 705 |
.00000000E+00 .71116440E-01 .28336969E+00 .63346732E+00 .11159089E+01 |
| 706 |
.17229697E+01 .24446845E+01 .32688376E+01 .41809658E+01 .51643837E+01 |
| 707 |
.62002390E+01 .72676057E+01 .83436246E+01 .94036966E+01 .10421735E+02 |
| 708 |
.11370481E+02 .12221878E+02 .12947517E+02 .13519130E+02 .13909140E+02 |
| 709 |
.14091257E+02 .14041094E+02 .13736808E+02 .13159735E+02 .12295011E+02 |
| 710 |
.11132150E+02 .96655748E+01 .78950621E+01 .58261036E+01 .34701532E+01 |
| 711 |
.84475161E+00 -.20264837E+01 -.51140121E+01 -.83826708E+01 -.11792123E+02 |
| 712 |
-.15297454E+02 -.18849893E+02 -.22397676E+02 -.25886996E+02 -.29263054E+02 |
| 713 |
-.32471169E+02 -.35457926E+02 -.38172333E+02 -.40566958E+02 -.42599021E+02 |
| 714 |
-.44231406E+02 -.45433563E+02 -.46182284E+02 -.46462326E+02 -.46266857E+02 |
| 715 |
-.45597714E+02 -.44465470E+02 -.42889294E+02 -.40896607E+02 -.38522549E+02 |
| 716 |
-.35809256E+02 -.32804975E+02 -.29563023E+02 -.26140637E+02 -.22597719E+02 |
| 717 |
-.18995527E+02 -.15395334E+02 -.11857095E+02 -.84381485E+01 -.51919963E+01 |
| 718 |
-.21671800E+01 .59370742E+00 .30548564E+01 .51878996E+01 .69723799E+01 |
| 719 |
.83960181E+01 .94547742E+01 .10152705E+02 .10501625E+02 .10520578E+02 |
| 720 |
.10235145E+02 .96766006E+01 .88809480E+01 .78878596E+01 .67395538E+01 |
| 721 |
.54796378E+01 .41519509E+01 .27994367E+01 .14630765E+01 .18091015E+00 |
| 722 |
-.10128310E+01 -.20884584E+01 -.30214099E+01 -.37926737E+01 -.43890416E+01 |
| 723 |
-.48031934E+01 -.50336130E+01 -.50843442E+01 -.49645995E+01 -.46882365E+01 |
| 724 |
-.42731223E+01 -.37404085E+01 -.31137394E+01 -.24184212E+01 -.16805761E+01 |
| 725 |
Real Space Part |
| 726 |
.00000000E+00 .26267779E+00 .10336297E+01 .22623044E+01 .38667344E+01 |
| 727 |
.57368711E+01 .77390758E+01 .97215947E+01 .11520811E+02 .12968037E+02 |
| 728 |
.13896585E+02 .14148855E+02 .13583167E+02 .12080073E+02 .95479287E+01 |
| 729 |
.59274838E+01 .11953486E+01 -.46338199E+01 -.11506484E+02 -.19330785E+02 |
| 730 |
-.27978471E+02 -.37288145E+02 -.47069691E+02 -.57109751E+02 -.67178040E+02 |
| 731 |
-.77034285E+02 -.86435546E+02 -.95143662E+02 -.10293256E+03 -.10959522E+03 |
| 732 |
-.11494995E+03 -.11884594E+03 -.12116776E+03 -.12183873E+03 -.12082307E+03 |
| 733 |
-.11812676E+03 -.11379710E+03 -.10792102E+03 -.10062220E+03 -.92057157E+02 |
| 734 |
-.82410394E+02 -.71888821E+02 -.60715656E+02 -.49123986E+02 -.37350233E+02 |
| 735 |
-.25627708E+02 -.14180481E+02 -.32177363E+01 .70712290E+01 .16521217E+02 |
| 736 |
.24994461E+02 .32383006E+02 .38610101E+02 .43630616E+02 .47430504E+02 |
| 737 |
.50025380E+02 .51458316E+02 .51796945E+02 .51130024E+02 .49563588E+02 |
| 738 |
.47216847E+02 .44217959E+02 .40699848E+02 .36796173E+02 .32637584E+02 |
| 739 |
.28348353E+02 .24043478E+02 .19826300E+02 .15786686E+02 .11999785E+02 |
| 740 |
.85253518E+01 .54076191E+01 .26756638E+01 .34422249E+00 -.15851191E+01 |
| 741 |
-.31224363E+01 -.42877542E+01 -.51091980E+01 -.56210809E+01 -.58620054E+01 |
| 742 |
-.58730416E+01 -.56960425E+01 -.53721387E+01 -.49404502E+01 -.44370358E+01 |
| 743 |
-.38940935E+01 -.33394093E+01 -.27960482E+01 -.22822661E+01 -.18116204E+01 |
| 744 |
-.13932475E+01 -.10322744E+01 -.73032938E+00 -.48611763E+00 -.29602674E+00 |
| 745 |
-.15473353E+00 -.55784477E-01 .78718306E-02 .43417289E-01 .57773521E-01 |
| 746 |
Non local Part |
| 747 |
0 2 1.60783796536775347 |
| 748 |
4.55068527853635008 -0.166977273103439572 -0.166977273103439572 0.292510511024706536E-01 |
| 749 |
Reciprocal Space Part |
| 750 |
.13796039E+02 .13764623E+02 .13670727E+02 .13515407E+02 .13300402E+02 |
| 751 |
.13028110E+02 .12701546E+02 .12324298E+02 .11900468E+02 .11434610E+02 |
| 752 |
.10931659E+02 .10396854E+02 .98356619E+01 .92536966E+01 .86566346E+01 |
| 753 |
.80501357E+01 .74397644E+01 .68309148E+01 .62287401E+01 .56380887E+01 |
| 754 |
.50634473E+01 .45088913E+01 .39780442E+01 .34740460E+01 .29995305E+01 |
| 755 |
.25566126E+01 .21468839E+01 .17714182E+01 .14307850E+01 .11250709E+01 |
| 756 |
.85390848E+00 .61651113E+00 .41171330E+00 .23801507E+00 .93629950E-01 |
| 757 |
-.23465254E-01 -.11547945E+00 -.18475638E+00 -.23372464E+00 -.26484981E+00 |
| 758 |
-.28058922E+00 -.28335032E+00 -.27545326E+00 -.25909798E+00 -.23633644E+00 |
| 759 |
-.20905002E+00 -.17893230E+00 -.14747717E+00 -.11597208E+00 -.85496292E-01 |
| 760 |
-.56923642E-01 -.30929510E-01 -.80014181E-02 .11547253E-01 .27561027E-01 |
| 761 |
.40024168E-01 .49041200E-01 .54816689E-01 .57634868E-01 .57839600E-01 |
| 762 |
.55815183E-01 .51968378E-01 .46712029E-01 .40450541E-01 .33567418E-01 |
| 763 |
.26414995E-01 .19306422E-01 .12509884E-01 .62450068E-02 .68129067E-03 |
| 764 |
-.40615681E-02 -.79117039E-02 -.10841687E-01 -.12863975E-01 -.14025479E-01 |
| 765 |
-.14401521E-01 -.14089457E-01 -.13202209E-01 -.11861945E-01 -.10194117E-01 |
| 766 |
-.83220218E-02 -.63620394E-02 -.44196449E-02 -.25862665E-02 -.93702477E-03 |
| 767 |
.47064882E-03 .15975449E-02 .24224199E-02 .29410322E-02 .31645734E-02 |
| 768 |
.31176083E-02 .28356475E-02 .23624803E-02 .17473940E-02 .10423985E-02 |
| 769 |
.29956886E-03 -.43139739E-03 -.11053257E-02 -.16833483E-02 -.21342795E-02 |
| 770 |
Real Space Part |
| 771 |
.51966267E+01 .52000788E+01 .52103164E+01 .52269867E+01 .52495133E+01 |
| 772 |
.52771126E+01 .53088162E+01 .53434991E+01 .53799113E+01 .54167133E+01 |
| 773 |
.54525138E+01 .54859077E+01 .55155151E+01 .55400176E+01 .55581933E+01 |
| 774 |
.55689477E+01 .55713401E+01 .55646055E+01 .55481706E+01 .55216631E+01 |
| 775 |
.54849160E+01 .54379651E+01 .53810407E+01 .53145536E+01 .52390772E+01 |
| 776 |
.51553241E+01 .50641209E+01 .49663796E+01 .48630682E+01 .47551807E+01 |
| 777 |
.46437084E+01 .45296116E+01 .44137950E+01 .42970856E+01 .41802142E+01 |
| 778 |
.40638014E+01 .39483484E+01 .38342313E+01 .37217016E+01 .36108893E+01 |
| 779 |
.35018118E+01 .33943848E+01 .32884374E+01 .31837290E+01 .30799677E+01 |
| 780 |
.29768305E+01 .28739823E+01 .27710958E+01 .26678692E+01 .25640429E+01 |
| 781 |
.24594132E+01 .23538435E+01 .22472733E+01 .21397230E+01 .20312960E+01 |
| 782 |
.19221776E+01 .18126311E+01 .17029909E+01 .15936535E+01 .14850662E+01 |
| 783 |
.13777148E+01 .12721098E+01 .11687725E+01 .10682206E+01 .97095509E+00 |
| 784 |
.87744703E+00 .78812623E+00 .70337134E+00 .62350167E+00 .54877111E+00 |
| 785 |
.47936405E+00 .41539338E+00 .35690054E+00 .30385752E+00 .25617052E+00 |
| 786 |
.21368519E+00 .17619308E+00 .14343912E+00 .11512978E+00 .90941548E-01 |
| 787 |
.70529633E-01 .53536423E-01 .39599584E-01 .28359550E-01 .19466236E-01 |
| 788 |
.12584854E-01 .74007349E-02 .36231230E-02 .98791858E-03 -.74058734E-03 |
| 789 |
-.17689365E-02 -.22745956E-02 -.24068127E-02 -.22881165E-02 -.20163290E-02 |
| 790 |
-.16669620E-02 -.12958644E-02 -.94200201E-03 -.63025388E-03 -.37413154E-03 |
| 791 |
Reciprocal Space Part |
| 792 |
-.15515252E+02 -.15170383E+02 -.14142539E+02 -.12451864E+02 -.10131446E+02 |
| 793 |
-.72266077E+01 -.37939229E+01 .99991646E-01 .43799035E+01 .89635653E+01 |
| 794 |
.13763455E+02 .18688616E+02 .23646549E+02 .28545123E+02 .33294448E+02 |
| 795 |
.37808680E+02 .42007711E+02 .45818708E+02 .49177467E+02 .52029566E+02 |
| 796 |
.54331267E+02 .56050187E+02 .57165697E+02 .57669056E+02 .57563293E+02 |
| 797 |
.56862821E+02 .55592830E+02 .53788444E+02 .51493693E+02 .48760325E+02 |
| 798 |
.45646469E+02 .42215218E+02 .38533137E+02 .34668750E+02 .30691037E+02 |
| 799 |
.26667979E+02 .22665173E+02 .18744566E+02 .14963313E+02 .11372796E+02 |
| 800 |
.80178182E+01 .49359775E+01 .21572398E+01 -.29629525E+00 -.24104350E+01 |
| 801 |
-.41787489E+01 -.56022496E+01 -.66889165E+01 -.74530803E+01 -.79146903E+01 |
| 802 |
-.80984893E+01 -.80331197E+01 -.77501887E+01 -.72833167E+01 -.66671956E+01 |
| 803 |
-.59366788E+01 -.51259258E+01 -.42676201E+01 -.33922772E+01 -.25276543E+01 |
| 804 |
-.16982727E+01 -.92505829E+00 -.22510272E+00 .38845606E+00 .90643747E+00 |
| 805 |
.13235140E+01 .16380082E+01 .18516039E+01 .19689839E+01 .19974115E+01 |
| 806 |
.19462689E+01 .18265718E+01 .16504730E+01 .14307724E+01 .11804470E+01 |
| 807 |
.91221307E+00 .63813203E+00 .36926894E+00 .11541019E+00 -.11515471E+00 |
| 808 |
-.31578520E+00 -.48157525E+00 -.60937451E+00 -.69774889E+00 -.74688609E+00 |
| 809 |
-.75845307E+00 -.73541344E+00 -.68181379E+00 -.60254812E+00 -.50310996E+00 |
| 810 |
-.38934138E+00 -.26718774E+00 -.14246626E+00 -.20655489E-01 .93288210E-01 |
| 811 |
.19508268E+00 .28123695E+00 .34913134E+00 .39706016E+00 .42423768E+00 |
| 812 |
Real Space Part |
| 813 |
.16746359E+03 .16704432E+03 .16579443E+03 .16373748E+03 .16091209E+03 |
| 814 |
.15737086E+03 .15317910E+03 .14841307E+03 .14315810E+03 .13750634E+03 |
| 815 |
.13155450E+03 .12540143E+03 .11914565E+03 .11288302E+03 .10670444E+03 |
| 816 |
.10069379E+03 .94926032E+02 .89465657E+02 .84365429E+02 .79665462E+02 |
| 817 |
.75392683E+02 .71560663E+02 .68169819E+02 .65207980E+02 .62651274E+02 |
| 818 |
.60465322E+02 .58606689E+02 .57024539E+02 .55662449E+02 .54460319E+02 |
| 819 |
.53356324E+02 .52288851E+02 .51198357E+02 .50029108E+02 .48730746E+02 |
| 820 |
.47259644E+02 .45580016E+02 .43664764E+02 .41496038E+02 .39065505E+02 |
| 821 |
.36374338E+02 .33432917E+02 .30260290E+02 .26883384E+02 .23336028E+02 |
| 822 |
.19657813E+02 .15892820E+02 .12088276E+02 .82931720E+01 .45568731E+01 |
| 823 |
.92778691E+00 -.25478964E+01 -.58273472E+01 -.88720990E+01 -.11648886E+02 |
| 824 |
-.14130303E+02 -.16295271E+02 -.18129313E+02 -.19624636E+02 -.20780029E+02 |
| 825 |
-.21600591E+02 -.22097304E+02 -.22286478E+02 -.22189081E+02 -.21829991E+02 |
| 826 |
-.21237188E+02 -.20440926E+02 -.19472883E+02 -.18365354E+02 -.17150468E+02 |
| 827 |
-.15859473E+02 -.14522107E+02 -.13166043E+02 -.11816447E+02 -.10495630E+02 |
| 828 |
-.92228138E+01 -.80139899E+01 -.68818870E+01 -.58360219E+01 -.48828340E+01 |
| 829 |
-.40258887E+01 -.32661372E+01 -.26022195E+01 -.20307969E+01 -.15469014E+01 |
| 830 |
-.11442891E+01 -.81578603E+00 -.55361747E+00 -.34971122E+00 -.19596927E+00 |
| 831 |
-.84502293E-01 -.78244379E-02 .40993116E-01 .68209507E-01 .79340754E-01 |
| 832 |
.79122675E-01 .71506339E-01 .59681529E-01 .46123225E-01 .32655932E-01 |
| 833 |
Non local Part |
| 834 |
1 2 1.60783796536775347 |
| 835 |
8.58730342702083149 -3.20137177333169598 -3.20137177333169598 0.931568281602889847 |
| 836 |
Reciprocal Space Part |
| 837 |
.00000000E+00 .77227658E+00 .15357215E+01 .22816455E+01 .30016410E+01 |
| 838 |
.36877162E+01 .43324209E+01 .49289621E+01 .54713061E+01 .59542673E+01 |
| 839 |
.63735791E+01 .67259490E+01 .70090943E+01 .72217596E+01 .73637150E+01 |
| 840 |
.74357363E+01 .74395672E+01 .73778649E+01 .72541304E+01 .70726251E+01 |
| 841 |
.68382758E+01 .65565710E+01 .62334487E+01 .58751810E+01 .54882554E+01 |
| 842 |
.50792568E+01 .46547518E+01 .42211784E+01 .37847417E+01 .33513188E+01 |
| 843 |
.29263748E+01 .25148887E+01 .21212942E+01 .17494319E+01 .14025172E+01 |
| 844 |
.10831204E+01 .79316188E+00 .53391940E+00 .30604848E+00 .10961353E+00 |
| 845 |
-.55870631E-01 -.19138885E+00 -.29836856E+00 -.37861726E+00 -.43425635E+00 |
| 846 |
-.46765282E+00 -.48135059E+00 -.47800300E+00 -.46030791E+00 -.43094671E+00 |
| 847 |
-.39252851E+00 -.34754024E+00 -.29830364E+00 -.24693954E+00 -.19533982E+00 |
| 848 |
-.14514721E+00 -.97742728E-01 -.54240634E-01 -.15490341E-01 .17915227E-01 |
| 849 |
.45625590E-01 .67513768E-01 .83653350E-01 .94292475E-01 .99825698E-01 |
| 850 |
.10076466E+00 .97708444E-01 .91314548E-01 .82271071E-01 .71270959E-01 |
| 851 |
.58988762E-01 .46060388E-01 .33066178E-01 .20517502E-01 .88469661E-02 |
| 852 |
-.15978042E-02 -.10556930E-01 -.17857826E-01 -.23411841E-01 -.27208358E-01 |
| 853 |
-.29306776E-01 -.29826842E-01 -.28937790E-01 -.26846767E-01 -.23787007E-01 |
| 854 |
-.20006178E-01 -.15755295E-01 -.11278536E-01 -.68042482E-02 -.25373655E-02 |
| 855 |
.13466133E-02 .47059911E-02 .74355627E-02 .94676624E-02 .10771664E-01 |
| 856 |
.11352069E-01 .11245369E-01 .10515888E-01 .92508450E-02 .75548723E-02 |
| 857 |
Real Space Part |
| 858 |
.00000000E+00 .12071756E+00 .24225583E+00 .36539902E+00 .49085965E+00 |
| 859 |
.61924628E+00 .75103508E+00 .88654664E+00 .10259286E+01 .11691449E+01 |
| 860 |
.13159723E+01 .14660032E+01 .16186564E+01 .17731933E+01 .19287407E+01 |
| 861 |
.20843174E+01 .22388654E+01 .23912829E+01 .25404591E+01 .26853078E+01 |
| 862 |
.28248003E+01 .29579950E+01 .30840632E+01 .32023099E+01 .33121893E+01 |
| 863 |
.34133137E+01 .35054567E+01 .35885489E+01 .36626693E+01 .37280294E+01 |
| 864 |
.37849535E+01 .38338552E+01 .38752106E+01 .39095302E+01 .39373302E+01 |
| 865 |
.39591050E+01 .39753014E+01 .39862959E+01 .39923758E+01 .39937257E+01 |
| 866 |
.39904185E+01 .39824126E+01 .39695541E+01 .39515859E+01 .39281600E+01 |
| 867 |
.38988562E+01 .38632040E+01 .38207068E+01 .37708689E+01 .37132231E+01 |
| 868 |
.36473579E+01 .35729430E+01 .34897536E+01 .33976898E+01 .32967935E+01 |
| 869 |
.31872594E+01 .30694419E+01 .29438558E+01 .28111722E+01 .26722092E+01 |
| 870 |
.25279177E+01 .23793625E+01 .22277006E+01 .20741559E+01 .19199926E+01 |
| 871 |
.17664867E+01 .16148985E+01 .14664450E+01 .13222741E+01 .11834417E+01 |
| 872 |
.10508915E+01 .92543827E+00 .80775528E+00 .69836614E+00 .59764059E+00 |
| 873 |
.50579467E+00 .42289493E+00 .34886626E+00 .28350294E+00 .22648252E+00 |
| 874 |
.17738162E+00 .13569348E+00 .10084614E+00 .72221068E-01 .49171293E-01 |
| 875 |
.31038781E-01 .17170414E-01 .69322715E-02 -.27809218E-03 -.50215843E-02 |
| 876 |
-.78098174E-02 -.90996801E-02 -.92901640E-02 -.87213059E-02 -.76750390E-02 |
| 877 |
-.63777027E-02 -.50039211E-02 -.36815469E-02 -.24973552E-02 -.15031837E-02 |
| 878 |
Reciprocal Space Part |
| 879 |
.00000000E+00 .93692991E-01 .19503478E+00 .31144629E+00 .44989871E+00 |
| 880 |
.61670363E+00 .81732059E+00 .10561873E+01 .13365767E+01 .16604855E+01 |
| 881 |
.20285556E+01 .24400317E+01 .28927567E+01 .33832020E+01 .39065366E+01 |
| 882 |
.44567282E+01 .50266771E+01 .56083783E+01 .61931067E+01 .67716217E+01 |
| 883 |
.73343857E+01 .78717897E+01 .83743824E+01 .88330945E+01 .92394542E+01 |
| 884 |
.95857881E+01 .98654021E+01 .10072739E+02 .10203506E+02 .10254775E+02 |
| 885 |
.10225048E+02 .10114287E+02 .99239118E+01 .96567626E+01 .93170295E+01 |
| 886 |
.89101532E+01 .84426961E+01 .79221910E+01 .73569698E+01 .67559763E+01 |
| 887 |
.61285699E+01 .54843227E+01 .48328174E+01 .41834499E+01 .35452403E+01 |
| 888 |
.29266592E+01 .23354708E+01 .17785968E+01 .12620049E+01 .79062237E+00 |
| 889 |
.36827693E+00 -.23348789E-02 -.31965183E+00 -.58322562E+00 -.79367351E+00 |
| 890 |
-.95260799E+00 -.10625464E+01 -.11268030E+01 -.11493684E+01 -.11347770E+01 |
| 891 |
-.10879706E+01 -.10141573E+01 -.91867315E+00 -.80684754E+00 -.68387738E+00 |
| 892 |
-.55471149E+00 -.42394865E+00 -.29575080E+00 -.17377316E+00 -.61111950E-01 |
| 893 |
.39729644E-01 .12685752E+00 .19898523E+00 .25541621E+00 .29601107E+00 |
| 894 |
.32114180E+00 .33163499E+00 .32870627E+00 .31388858E+00 .28895652E+00 |
| 895 |
.25584936E+00 .21659505E+00 .17323740E+00 .12776835E+00 .82067171E-01 |
| 896 |
.37847812E-01 -.33843801E-02 -.40365951E-01 -.72098220E-01 -.97859761E-01 |
| 897 |
-.11720876E+00 -.12997589E+00 -.13624850E+00 -.13634734E+00 -.13079696E+00 |
| 898 |
-.12029122E+00 -.10565547E+00 -.87806753E-01 -.67713621E-01 -.46356904E-01 |
| 899 |
Real Space Part |
| 900 |
.00000000E+00 .16353531E+01 .32489859E+01 .48197584E+01 .63276727E+01 |
| 901 |
.77543961E+01 .90837291E+01 .10302004E+02 .11398399E+02 .12365160E+02 |
| 902 |
.13197725E+02 .13894742E+02 .14457990E+02 .14892199E+02 .15204784E+02 |
| 903 |
.15405497E+02 .15506011E+02 .15519460E+02 .15459943E+02 .15342006E+02 |
| 904 |
.15180135E+02 .14988266E+02 .14779329E+02 .14564847E+02 .14354595E+02 |
| 905 |
.14156342E+02 .13975665E+02 .13815855E+02 .13677909E+02 .13560609E+02 |
| 906 |
.13460675E+02 .13373001E+02 .13290939E+02 .13206646E+02 .13111459E+02 |
| 907 |
.12996290E+02 .12852037E+02 .12669973E+02 .12442123E+02 .12161600E+02 |
| 908 |
.11822898E+02 .11422124E+02 .10957170E+02 .10427819E+02 .98357819E+01 |
| 909 |
.91846606E+01 .84798527E+01 .77283925E+01 .69387401E+01 .61205269E+01 |
| 910 |
.52842678E+01 .44410502E+01 .36022122E+01 .27790211E+01 .19823628E+01 |
| 911 |
.12224515E+01 .50857062E+00 -.15115030E+00 -.74991449E+00 -.12823903E+01 |
| 912 |
-.17447941E+01 -.21349230E+01 -.24521399E+01 -.26973124E+01 -.28727114E+01 |
| 913 |
-.29818731E+01 -.30294338E+01 -.30209405E+01 -.29626494E+01 -.28613151E+01 |
| 914 |
-.27239820E+01 -.25577810E+01 -.23697403E+01 -.21666137E+01 -.19547318E+01 |
| 915 |
-.17398778E+01 -.15271912E+01 -.13210998E+01 -.11252794E+01 -.94264027E+00 |
| 916 |
-.77533840E+00 -.62480912E+00 -.49181898E+00 -.37653290E+00 -.27859257E+00 |
| 917 |
-.19720204E+00 -.13121684E+00 -.79233160E-01 -.39673727E-01 -.10867846E-01 |
| 918 |
.88766723E-02 .21211315E-01 .27695477E-01 .29756402E-01 .28660470E-01 |
| 919 |
.25495368E-01 .21162335E-01 .16377305E-01 .11679600E-01 .74466403E-02 |
| 920 |
PAW radial sets |
| 921 |
311 1.20588293416284009 |
| 922 |
(5E20.12) |
| 923 |
augmentation charges (non sperical) |
| 924 |
.378637605164E+00 -.486077197361E-01 -.164680904670E+00 .742017217161E-02 -.247503338040E+00 |
| 925 |
.113438694657E+00 -.486077197361E-01 .575257143956E-02 .142820857345E-01 -.561393271961E-03 |
| 926 |
.243965099956E-01 -.124375285059E-01 -.164680904670E+00 .142820857345E-01 -.138717223370E+00 |
| 927 |
-.306285883422E-02 -.615122950370E-01 -.351119861273E-01 .742017217161E-02 -.561393271961E-03 |
| 928 |
-.306285883422E-02 -.138005263691E-03 -.298465668133E-02 .951621313499E-03 -.247503338040E+00 |
| 929 |
.243965099956E-01 -.615122950370E-01 -.298465668133E-02 .138605920817E-01 -.557718621219E-01 |
| 930 |
.113438694657E+00 -.124375285059E-01 -.351119861273E-01 .951621313499E-03 -.557718621219E-01 |
| 931 |
.277120201159E-01 |
| 932 |
uccopancies in atom |
| 933 |
.180000000752E+01 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 934 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 935 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .999999999625E+00 |
| 936 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 937 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 938 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 939 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 940 |
.000000000000E+00 |
| 941 |
grid |
| 942 |
.674052280246E-04 .695970778845E-04 .718602012338E-04 .741969157087E-04 .766096143089E-04 |
| 943 |
.791007678486E-04 .816729274867E-04 .843287273396E-04 .870708871782E-04 .899022152139E-04 |
| 944 |
.928256109741E-04 .958440682714E-04 .989606782699E-04 .102178632651E-03 .105501226880E-03 |
| 945 |
.108931863585E-03 .112474056037E-03 .116131431750E-03 .119907736198E-03 .123806836646E-03 |
| 946 |
.127832726114E-03 .131989527463E-03 .136281497623E-03 .140713031945E-03 .145288668708E-03 |
| 947 |
.150013093763E-03 .154891145335E-03 .159927818976E-03 .165128272678E-03 .170497832160E-03 |
| 948 |
.176041996322E-03 .181766442872E-03 .187677034142E-03 .193779823095E-03 .200081059521E-03 |
| 949 |
.206587196435E-03 .213304896691E-03 .220241039801E-03 .227402728981E-03 .234797298427E-03 |
| 950 |
.242432320824E-03 .250315615103E-03 .258455254445E-03 .266859574553E-03 .275537182184E-03 |
| 951 |
.284496963967E-03 .293748095502E-03 .303300050756E-03 .313162611766E-03 .323345878655E-03 |
| 952 |
.333860279980E-03 .344716583405E-03 .355925906735E-03 .367499729295E-03 .379449903692E-03 |
| 953 |
.391788667949E-03 .404528658037E-03 .417682920821E-03 .431264927414E-03 .445288586980E-03 |
| 954 |
.459768260969E-03 .474718777834E-03 .490155448211E-03 .506094080598E-03 .522550997549E-03 |
| 955 |
.539543052384E-03 .557087646452E-03 .575202746951E-03 .593906905327E-03 .613219276272E-03 |
| 956 |
.633159637341E-03 .653748409207E-03 .675006676572E-03 .696956209758E-03 .719619487006E-03 |
| 957 |
.743019717493E-03 .767180865098E-03 .792127672949E-03 .817885688756E-03 .844481290980E-03 |
| 958 |
.871941715839E-03 .900295085210E-03 .929570435419E-03 .959797746984E-03 .991007975314E-03 |
| 959 |
.102323308241E-02 .105650606959E-02 .109086101132E-02 .112633309004E-02 .116295863227E-02 |
| 960 |
.120077514576E-02 .123982135794E-02 .128013725552E-02 .132176412552E-02 .136474459748E-02 |
| 961 |
.140912268717E-02 .145494384163E-02 .150225498572E-02 .155110457018E-02 .160154262127E-02 |
| 962 |
.165362079196E-02 .170739241483E-02 .176291255674E-02 .182023807516E-02 .187942767642E-02 |
| 963 |
.194054197586E-02 .200364355985E-02 .206879704994E-02 .213606916899E-02 .220552880952E-02 |
| 964 |
.227724710429E-02 .235129749908E-02 .242775582798E-02 .250670039100E-02 .258821203426E-02 |
| 965 |
.267237423282E-02 .275927317611E-02 .284899785625E-02 .294164015916E-02 .303729495864E-02 |
| 966 |
.313606021357E-02 .323803706820E-02 .334332995574E-02 .345204670532E-02 .356429865237E-02 |
| 967 |
.368020075271E-02 .379987170021E-02 .392343404838E-02 .405101433586E-02 .418274321602E-02 |
| 968 |
.431875559073E-02 .445919074857E-02 .460419250739E-02 .475390936167E-02 .490849463456E-02 |
| 969 |
.506810663488E-02 .523290881927E-02 .540306995956E-02 .557876431563E-02 .576017181386E-02 |
| 970 |
.594747823138E-02 .614087538632E-02 .634056133427E-02 .654674057110E-02 .675962424235E-02 |
| 971 |
.697943035951E-02 .720638402325E-02 .744071765396E-02 .768267122975E-02 .793249253222E-02 |
| 972 |
.819043740022E-02 .845676999183E-02 .873176305490E-02 .901569820636E-02 .930886622062E-02 |
| 973 |
.961156732733E-02 .992411151889E-02 .102468188679E-01 .105800198548E-01 .109240557065E-01 |
| 974 |
.112792787459E-01 .116460527524E-01 .120247533345E-01 .124157683149E-01 .128194981269E-01 |
| 975 |
.132363562253E-01 .136667695090E-01 .141111787590E-01 .145700390892E-01 .150438204126E-01 |
| 976 |
.155330079227E-01 .160381025902E-01 .165596216762E-01 .170980992620E-01 .176540867954E-01 |
| 977 |
.182281536564E-01 .188208877397E-01 .194328960566E-01 .200648053572E-01 .207172627718E-01 |
| 978 |
.213909364739E-01 .220865163642E-01 .228047147773E-01 .235462672110E-01 .243119330800E-01 |
| 979 |
.251024964929E-01 .259187670557E-01 .267615807010E-01 .276318005434E-01 .285303177642E-01 |
| 980 |
.294580525234E-01 .304159549026E-01 .314050058775E-01 .324262183228E-01 .334806380491E-01 |
| 981 |
.345693448745E-01 .356934537298E-01 .368541158008E-01 .380525197069E-01 .392898927183E-01 |
| 982 |
.405675020133E-01 .418866559752E-01 .432487055331E-01 .446550455447E-01 .461071162251E-01 |
| 983 |
.476064046215E-01 .491544461364E-01 .507528260994E-01 .524031813913E-01 .541072021202E-01 |
| 984 |
.558666333522E-01 .576832768986E-01 .595589931612E-01 .614957030373E-01 .634953898870E-01 |
| 985 |
.655601015645E-01 .676919525150E-01 .698931259400E-01 .721658760335E-01 .745125302903E-01 |
| 986 |
.769354918893E-01 .794372421550E-01 .820203430982E-01 .846874400400E-01 .874412643208E-01 |
| 987 |
.902846360972E-01 .932204672305E-01 .962517642682E-01 .993816315234E-01 .102613274254E+00 |
| 988 |
.105950001944E+00 .109395231694E+00 .112952491721E+00 .116625424970E+00 .120417792845E+00 |
| 989 |
.124333479062E+00 .128376493627E+00 .132550976940E+00 .136861204036E+00 .141311588964E+00 |
| 990 |
.145906689308E+00 .150651210852E+00 .155550012400E+00 .160608110753E+00 .165830685847E+00 |
| 991 |
.171223086053E+00 .176790833662E+00 .182539630534E+00 .188475363938E+00 .194604112585E+00 |
| 992 |
.200932152848E+00 .207465965195E+00 .214212240818E+00 .221177888496E+00 .228370041658E+00 |
| 993 |
.235796065699E+00 .243463565517E+00 .251380393300E+00 .259554656573E+00 .267994726495E+00 |
| 994 |
.276709246435E+00 .285707140824E+00 .294997624292E+00 .304590211105E+00 .314494724910E+00 |
| 995 |
.324721308796E+00 .335280435677E+00 .346182919023E+00 .357439923929E+00 .369062978552E+00 |
| 996 |
.381063985915E+00 .393455236098E+00 .406249418825E+00 .419459636457E+00 .433099417411E+00 |
| 997 |
.447182730014E+00 .461723996810E+00 .476738109326E+00 .492240443325E+00 .508246874552E+00 |
| 998 |
.524773794991E+00 .541838129654E+00 .559457353910E+00 .577649511383E+00 .596433232434E+00 |
| 999 |
.615827753234E+00 .635852935467E+00 .656529286669E+00 .677877981231E+00 .699920882082E+00 |
| 1000 |
.722680563079E+00 .746180332122E+00 .770444255031E+00 .795497180181E+00 .821364763958E+00 |
| 1001 |
.848073497027E+00 .875650731466E+00 .904124708772E+00 .933524588786E+00 .963880479554E+00 |
| 1002 |
.995223468161E+00 .102758565257E+01 .106100017448E+01 .109550125328E+01 .113112422109E+01 |
| 1003 |
.116790555895E+01 .120588293416E+01 .124509523887E+01 .128558262991E+01 .132738656990E+01 |
| 1004 |
.137054986972E+01 |
| 1005 |
aepotential |
| 1006 |
.108488371557E+05 .108913437060E+05 .109268576104E+05 .109548996083E+05 .109750159174E+05 |
| 1007 |
.109867831331E+05 .109898140283E+05 .109837627229E+05 .109683296916E+05 .109432664025E+05 |
| 1008 |
.109083794885E+05 .108635343534E+05 .108086581231E+05 .107437418608E+05 .106688419828E+05 |
| 1009 |
.105840808188E+05 .104896462883E+05 .103857906760E+05 .102728285124E+05 .101511335885E+05 |
| 1010 |
.100211351505E+05 .988331333965E+04 .973819396454E+04 .958634270255E+04 .942835884190E+04 |
| 1011 |
.926486868667E+04 .909651874885E+04 .892396885617E+04 .874788530167E+04 .856893415487E+04 |
| 1012 |
.838777484791E+04 .820505413593E+04 .802140052123E+04 .783741921152E+04 .765368767031E+04 |
| 1013 |
.747075179744E+04 .728912276447E+04 .710927451048E+04 .693164189268E+04 .675661946899E+04 |
| 1014 |
.658456088169E+04 .641577879961E+04 .625054536911E+04 .608909311888E+04 .593161626002E+04 |
| 1015 |
.577827232083E+04 .562918405572E+04 .548444156982E+04 .534410460253E+04 .520820491778E+04 |
| 1016 |
.507674875269E+04 .494971928168E+04 .482707905804E+04 .470877240057E+04 .459472769823E+04 |
| 1017 |
.448485961091E+04 .437907114928E+04 .427725562121E+04 .417929843650E+04 .408507876507E+04 |
| 1018 |
.399447104698E+04 .390734635557E+04 .382357361683E+04 .374302069029E+04 .366555531787E+04 |
| 1019 |
.359104594837E+04 .351936244571E+04 .345037668991E+04 .338396307948E+04 .331999894435E+04 |
| 1020 |
.325836487809E+04 .319894499781E+04 .314162714005E+04 .308630300017E+04 .303286822244E+04 |
| 1021 |
.298122244754E+04 .293126932345E+04 .288291648532E+04 .283607550937E+04 .279066184527E+04 |
| 1022 |
.274659473096E+04 .270379709357E+04 .266219543951E+04 .262171973636E+04 .258230328910E+04 |
| 1023 |
.254388261248E+04 .250639730156E+04 .246978990154E+04 .243400577841E+04 .239899299128E+04 |
| 1024 |
.236470216731E+04 .233108637981E+04 .229810103018E+04 .226570373406E+04 .223385421200E+04 |
| 1025 |
.220251418481E+04 .217164727394E+04 .214121890680E+04 .211119622717E+04 .208154801063E+04 |
| 1026 |
.205224458510E+04 .202325775634E+04 .199456073833E+04 .196612808858E+04 .193793564810E+04 |
| 1027 |
.190996048609E+04 .188218084914E+04 .185457611491E+04 .182712675019E+04 .179981427324E+04 |
| 1028 |
.177262122034E+04 .174553111653E+04 .171852845046E+04 .169159865328E+04 .166472808166E+04 |
| 1029 |
.163790400487E+04 .161111459595E+04 .158434892706E+04 .155759696905E+04 .153084959535E+04 |
| 1030 |
.150409859033E+04 .147733666221E+04 .145055746076E+04 .142375559988E+04 .139692668538E+04 |
| 1031 |
.137006734801E+04 .134317528205E+04 .131624928956E+04 .128928933034E+04 .126229657784E+04 |
| 1032 |
.123527348057E+04 .120822382908E+04 .118115282772E+04 .115406717030E+04 .112697511850E+04 |
| 1033 |
.109988658085E+04 .107281318974E+04 .104576837297E+04 .101876741508E+04 .991827502834E+03 |
| 1034 |
.964967747775E+03 .938209177461E+03 .911574686099E+03 .885088934576E+03 .858778190203E+03 |
| 1035 |
.832670098285E+03 .806793381600E+03 .781177471166E+03 .755852083285E+03 .730846775009E+03 |
| 1036 |
.706190533678E+03 .681911485967E+03 .658036846111E+03 .634593256540E+03 .611607697180E+03 |
| 1037 |
.589109135713E+03 .567131037091E+03 .545714719486E+03 .524913313373E+03 .504795750094E+03 |
| 1038 |
.485449820431E+03 .466983013455E+03 .449519748532E+03 .433193958949E+03 .418136762163E+03 |
| 1039 |
.404460633503E+03 .392242181113E+03 .381507397300E+03 .372222416821E+03 .364291929210E+03 |
| 1040 |
.357565375693E+03 .351849281085E+03 .346923072255E+03 .342555690971E+03 .338520866554E+03 |
| 1041 |
.334609590638E+03 .330638919121E+03 .326456791480E+03 .321943172310E+03 .317008350998E+03 |
| 1042 |
.311589482714E+03 .305646373220E+03 .299157237390E+03 .292114868350E+03 .284523432129E+03 |
| 1043 |
.276395959787E+03 .267752520667E+03 .258619005773E+03 .249026418878E+03 .239010558901E+03 |
| 1044 |
.228611974700E+03 .217876077176E+03 .206853299594E+03 .195599205206E+03 .184174456404E+03 |
| 1045 |
.172644591378E+03 .161079616160E+03 .149553523560E+03 .138143994094E+03 .126932681446E+03 |
| 1046 |
.116006540223E+03 .105460449841E+03 .954007337351E+02 .859480109246E+02 .772364879250E+02 |
| 1047 |
.694062052829E+02 .625860094158E+02 .568684190896E+02 .522817310031E+02 .487676147262E+02 |
| 1048 |
.461734885565E+02 .442679622934E+02 .427808529838E+02 .414540856617E+02 .400787469251E+02 |
| 1049 |
.385032391990E+02 .366201806992E+02 .343505072145E+02 .316355172567E+02 .284358270377E+02 |
| 1050 |
.247318123856E+02 .205222988029E+02 .158215211370E+02 .106557540206E+02 .506074169311E+01 |
| 1051 |
-.919700434822E+00 -.723409852089E+01 -.138231954995E+02 -.206198267913E+02 -.275493404787E+02 |
| 1052 |
-.345309876325E+02 -.414802922620E+02 -.483114667030E+02 -.549374427770E+02 -.612637819205E+02 |
| 1053 |
-.671737491030E+02 -.725082027619E+02 -.770559081981E+02 -.805796990002E+02 -.828986901942E+02 |
| 1054 |
-.840164637813E+02 -.842176367177E+02 -.839920317740E+02 -.837759301728E+02 -.837656070293E+02 |
| 1055 |
-.839675319426E+02 -.843411972388E+02 -.848786983650E+02 -.856106697333E+02 -.865814504765E+02 |
| 1056 |
-.878251061392E+02 -.893545830218E+02 -.911626742872E+02 -.932282709804E+02 -.955226725876E+02 |
| 1057 |
-.980138595493E+02 -.100668703894E+03 -.103453800001E+03 -.106335581330E+03 -.109280179956E+03 |
| 1058 |
-.112253305157E+03 -.115220303948E+03 -.118146470209E+03 -.120997643250E+03 -.123740899512E+03 |
| 1059 |
-.126345177410E+03 -.128781432673E+03 -.131022369997E+03 -.133041807323E+03 -.134815001160E+03 |
| 1060 |
-.136321124412E+03 -.137548454538E+03 -.138500586571E+03 -.139199411673E+03 -.139682680930E+03 |
| 1061 |
-.139994568506E+03 -.140175756162E+03 -.140256679129E+03 -.140255985756E+03 -.140182498623E+03 |
| 1062 |
-.140038198508E+03 -.139820740745E+03 -.139525168799E+03 -.139145039135E+03 -.138673226002E+03 |
| 1063 |
-.138102557704E+03 -.137426344171E+03 -.136638735509E+03 -.135735116038E+03 -.134712197461E+03 |
| 1064 |
-.133568227887E+03 -.132302758935E+03 -.130917148265E+03 -.129413991552E+03 -.127797225869E+03 |
| 1065 |
-.126072072439E+03 -.124244802888E+03 -.122322633435E+03 -.120313558433E+03 -.118226185478E+03 |
| 1066 |
-.116069568686E+03 -.113853043867E+03 -.111586068813E+03 -.109278071985E+03 -.106938312864E+03 |
| 1067 |
-.104575756905E+03 -.102198967559E+03 -.998160169231E+02 -.974344153277E+02 -.950610587249E+02 |
| 1068 |
-.927021914437E+02 |
| 1069 |
core charge-density |
| 1070 |
.206024078210E+00 .217017086542E+00 .228591448094E+00 .240777472553E+00 .253607011704E+00 |
| 1071 |
.267113534544E+00 .281332205750E+00 .296299967643E+00 .312055625752E+00 .328639938131E+00 |
| 1072 |
.346095708524E+00 .364467883544E+00 .383803653967E+00 .404152560279E+00 .425566602617E+00 |
| 1073 |
.448100355209E+00 .471811085460E+00 .496758877796E+00 .523006762381E+00 .550620848835E+00 |
| 1074 |
.579670465049E+00 .610228301205E+00 .642370559095E+00 .676177106814E+00 .711731638917E+00 |
| 1075 |
.749121842076E+00 .788439566301E+00 .829781001737E+00 .873246861056E+00 .918942567420E+00 |
| 1076 |
.966978447978E+00 .101746993283E+01 .107053775937E+01 .112630818183E+01 .118491318595E+01 |
| 1077 |
.124649070842E+01 .131118486096E+01 .137914615869E+01 .145053175236E+01 .152550566407E+01 |
| 1078 |
.160423902600E+01 .168691032151E+01 .177370562797E+01 .186481886066E+01 .196045201676E+01 |
| 1079 |
.206081541861E+01 .216612795514E+01 .227661732026E+01 .239252024693E+01 .251408273552E+01 |
| 1080 |
.264156027474E+01 .277521805347E+01 .291533116151E+01 .306218477717E+01 .321607433933E+01 |
| 1081 |
.337730570142E+01 .354619526471E+01 .372307008772E+01 .390826796867E+01 .410213749735E+01 |
| 1082 |
.430503807273E+01 .451733988219E+01 .473942383801E+01 .497168146644E+01 .521451474430E+01 |
| 1083 |
.546833587791E+01 .573356701847E+01 .601063990795E+01 .629999544916E+01 .660208319312E+01 |
| 1084 |
.691736073667E+01 .724629302288E+01 .758935153636E+01 .794701338543E+01 .831976026247E+01 |
| 1085 |
.870807727391E+01 .911245163058E+01 .953337118922E+01 .997132283573E+01 .104267907004E+02 |
| 1086 |
.109002541954E+02 .113921858652E+02 .119030490395E+02 .124332952805E+02 .129833616138E+02 |
| 1087 |
.135536675359E+02 .141446117887E+02 .147565688953E+02 .153898854488E+02 .160448761508E+02 |
| 1088 |
.167218195943E+02 .174209537898E+02 .181424714339E+02 .188865149225E+02 .196531711133E+02 |
| 1089 |
.204424658450E+02 .212543582241E+02 .220887346941E+02 .229454029053E+02 .238240854093E+02 |
| 1090 |
.247244132060E+02 .256459191778E+02 .265880314505E+02 .275500667280E+02 .285312236550E+02 |
| 1091 |
.295305762682E+02 .305470676066E+02 .315795035576E+02 .326265470280E+02 .336867125331E+02 |
| 1092 |
.347583613125E+02 .358396970861E+02 .369287625763E+02 .380234369305E+02 .391214341887E+02 |
| 1093 |
.402203029483E+02 .413174273880E+02 .424100298189E+02 .434951749370E+02 .445697759554E+02 |
| 1094 |
.456306027995E+02 .466742925439E+02 .476973622713E+02 .486962245270E+02 .496672055308E+02 |
| 1095 |
.506065662980E+02 .515105267994E+02 .523752932692E+02 .531970887397E+02 .539721868439E+02 |
| 1096 |
.546969488902E+02 .553678641572E+02 .559815933074E+02 .565350147483E+02 .570252737017E+02 |
| 1097 |
.574498336614E+02 .578065298327E+02 .580936240542E+02 .583098606051E+02 .584545221925E+02 |
| 1098 |
.585274853110E+02 .585292740542E+02 .584611113492E+02 .583249664795E+02 .581235976618E+02 |
| 1099 |
.578605883496E+02 .575403758591E+02 .571682708532E+02 .567504661759E+02 .562940335216E+02 |
| 1100 |
.558069064367E+02 .552978482084E+02 .547764032904E+02 .542528310550E+02 .537380208533E+02 |
| 1101 |
.532433876110E+02 .527807474843E+02 .523621734626E+02 .519998312184E+02 .517057959798E+02 |
| 1102 |
.514918517245E+02 .513692745764E+02 .513486029017E+02 .514393972609E+02 .516499940476E+02 |
| 1103 |
.519872573808E+02 .524563343529E+02 .530604196474E+02 .538005358379E+02 .546753363550E+02 |
| 1104 |
.556809384028E+02 .568107933213E+02 .580556019124E+02 .594032820484E+02 .608389954466E+02 |
| 1105 |
.623452397884E+02 .639020113656E+02 .654870421438E+02 .670761135363E+02 .686434472818E+02 |
| 1106 |
.701621716412E+02 .716048586814E+02 .729441257545E+02 .741532914491E+02 .752070733713E+02 |
| 1107 |
.760823121923E+02 .767587035766E+02 .772195170135E+02 .774522783286E+02 .774493909162E+02 |
| 1108 |
.772086696313E+02 .767337609869E+02 .760344239336E+02 .751266472083E+02 .740325821036E+02 |
| 1109 |
.727802736259E+02 .714031783719E+02 .699394640537E+02 .684310933118E+02 .669227031087E+02 |
| 1110 |
.654603003232E+02 .640898038214E+02 .628554728549E+02 .617982706836E+02 .609542203546E+02 |
| 1111 |
.603528161509E+02 .600155588984E+02 .599546856527E+02 .601721638273E+02 .606590160253E+02 |
| 1112 |
.613950346044E+02 .623489333995E+02 .634789678698E+02 .647340346650E+02 .660552381627E+02 |
| 1113 |
.673778872061E+02 .686338633919E+02 .697542807793E+02 .706723365593E+02 .713262338088E+02 |
| 1114 |
.716620434035E+02 .716363646298E+02 .712186441426E+02 .703930209089E+02 .691595804822E+02 |
| 1115 |
.675349249735E+02 .655519947561E+02 .632591132078E+02 .607182652022E+02 .580026617088E+02 |
| 1116 |
.551936845171E+02 .523773441968E+02 .496404181760E+02 .470664613525E+02 .447318961858E+02 |
| 1117 |
.427023905023E+02 .410297183168E+02 .397492731074E+02 .388783678411E+02 .384154186844E+02 |
| 1118 |
.383400748346E+02 .386143268364E+02 .391845825384E+02 .399846081228E+02 .409391013386E+02 |
| 1119 |
.419676121523E+02 .429885688693E+02 .439232220496E+02 .446993185601E+02 .452543207256E+02 |
| 1120 |
.455379968435E+02 .455142477538E+02 .451620905153E+02 .444757844020E+02 .434641454288E+02 |
| 1121 |
.421491464544E+02 .405639377366E+02 .387504470650E+02 .367567296885E+02 .346342372474E+02 |
| 1122 |
.324351633976E+02 .302100038866E+02 .280054426605E+02 .258626452947E+02 .238160110480E+02 |
| 1123 |
.218924010905E+02 .201108330032E+02 .184826037401E+02 .170117873135E+02 .156960300998E+02 |
| 1124 |
.145275657403E+02 .134943676886E+02 .125813628325E+02 .117716388331E+02 .110475783861E+02 |
| 1125 |
.103918812979E+02 .978841769215E+01 .922288957930E+01 .868328594048E+01 .816013455903E+01 |
| 1126 |
.764656734235E+01 .713822507356E+01 .663303294946E+01 .613088082619E+01 .563324240294E+01 |
| 1127 |
.514276591171E+01 .466286549473E+01 .419733791148E+01 .375002231244E+01 .332451808647E+01 |
| 1128 |
.292396554662E+01 .255089457754E+01 .220712732263E+01 .189374944254E+01 .161112357044E+01 |
| 1129 |
.135893967825E+01 .113629641495E+01 .941798677241E+00 .773664681413E+00 .629834293014E+00 |
| 1130 |
.508072407071E+00 .406062765146E+00 .321489134285E+00 .252102165401E+00 .195771434568E+00 |
| 1131 |
.150523118470E+00 .114564457727E+00 .862966309037E-01 .643179231629E-01 .474191606013E-01 |
| 1132 |
.345733315839E-01 |
| 1133 |
kinetic energy-density |
| 1134 |
.555970637665E+07 .551371318806E+07 .546855115447E+07 .542422079122E+07 .538072261331E+07 |
| 1135 |
.533805715068E+07 .529622496876E+07 .525522668683E+07 .521506299682E+07 .517573468216E+07 |
| 1136 |
.513724263695E+07 .509958788498E+07 .506277159896E+07 .502679511952E+07 .499165997417E+07 |
| 1137 |
.495736789590E+07 .492392084143E+07 .489132100895E+07 .485957085530E+07 .482867311234E+07 |
| 1138 |
.479863080257E+07 .476944725386E+07 .474112611310E+07 .471367135888E+07 .468708731310E+07 |
| 1139 |
.466137865142E+07 .463655041262E+07 .461260800694E+07 .458955722326E+07 .456740423536E+07 |
| 1140 |
.454615560725E+07 .452581829762E+07 .450639966356E+07 .448790746359E+07 .447034986015E+07 |
| 1141 |
.445373542155E+07 .443807312357E+07 .442337235074E+07 .440964289734E+07 .439689496822E+07 |
| 1142 |
.438513917943E+07 .437438655878E+07 .436464854613E+07 .435593699368E+07 .434826416591E+07 |
| 1143 |
.434164273940E+07 .433608580228E+07 .433160685325E+07 .432821980012E+07 .432593895769E+07 |
| 1144 |
.432477904485E+07 .432475518074E+07 .432588287978E+07 .432817804542E+07 .433165696239E+07 |
| 1145 |
.433633628722E+07 .434223303679E+07 .434936457474E+07 .435774859540E+07 .436740310498E+07 |
| 1146 |
.437834639982E+07 .439059704123E+07 .440417382680E+07 .441909575763E+07 .443538200137E+07 |
| 1147 |
.445305185048E+07 .447212467541E+07 .449261987238E+07 .451455680514E+07 .453795474047E+07 |
| 1148 |
.456283277681E+07 .458920976557E+07 .461710422473E+07 .464653424400E+07 .467751738124E+07 |
| 1149 |
.471007054938E+07 .474420989342E+07 .477995065690E+07 .481730703721E+07 .485629202919E+07 |
| 1150 |
.489691725647E+07 .493919278987E+07 .498312695238E+07 .502872611013E+07 .507599444875E+07 |
| 1151 |
.512493373474E+07 .517554306130E+07 .522781857817E+07 .528175320534E+07 .533733632999E+07 |
| 1152 |
.539455348688E+07 .545338602186E+07 .551381073854E+07 .557579952846E+07 .563931898500E+07 |
| 1153 |
.570433000154E+07 .577078735469E+07 .583863927342E+07 .590782699553E+07 .597828431269E+07 |
| 1154 |
.604993710611E+07 .612270287481E+07 .619649025913E+07 .627119856238E+07 .634671727397E+07 |
| 1155 |
.642292559780E+07 .649969199032E+07 .657687371298E+07 .665431640446E+07 .673185367867E+07 |
| 1156 |
.680930675486E+07 .688648412710E+07 .696318128076E+07 .703918046415E+07 .711425052442E+07 |
| 1157 |
.718814681689E+07 .726061119795E+07 .733137211185E+07 .740014478229E+07 .746663151999E+07 |
| 1158 |
.753052215758E+07 .759149462360E+07 .764921566684E+07 .770334174265E+07 .775352007210E+07 |
| 1159 |
.779938988437E+07 .784058385209E+07 .787672972813E+07 .790745219092E+07 .793237490391E+07 |
| 1160 |
.795112279259E+07 .796332454015E+07 .796861530025E+07 .796663962213E+07 .795705457977E+07 |
| 1161 |
.793953309315E+07 .791376742516E+07 .787947283337E+07 .783639135073E+07 .778429566448E+07 |
| 1162 |
.772299305675E+07 .765232936544E+07 .757219291800E+07 .748251838558E+07 .738329050013E+07 |
| 1163 |
.727454757177E+07 .715638474017E+07 .702895688971E+07 .689248115620E+07 .674723895119E+07 |
| 1164 |
.659357743007E+07 .643191033142E+07 .626271811827E+07 .608654735611E+07 .590400926912E+07 |
| 1165 |
.571577742328E+07 .552258449424E+07 .532521808763E+07 .512451559110E+07 .492135804968E+07 |
| 1166 |
.471666307141E+07 .451137678877E+07 .430646492443E+07 .410290303908E+07 .390166606671E+07 |
| 1167 |
.370371731462E+07 .350999701936E+07 .332141076761E+07 .313881789767E+07 .296302011862E+07 |
| 1168 |
.279475053492E+07 .263466326446E+07 .248332383685E+07 .234120056136E+07 .220865705746E+07 |
| 1169 |
.208594614038E+07 .197320524824E+07 .187045358278E+07 .177759111450E+07 .169439957263E+07 |
| 1170 |
.162054550384E+07 .155558544072E+07 .149897317461E+07 .145006907806E+07 .140815137173E+07 |
| 1171 |
.137242918020E+07 .134205717150E+07 .131615152776E+07 .129380695018E+07 .127411436127E+07 |
| 1172 |
.125617893243E+07 .123913803626E+07 .122217870197E+07 .120455413980E+07 .118559889831E+07 |
| 1173 |
.116474222724E+07 .114151924119E+07 .111557951573E+07 .108669279887E+07 .105475158835E+07 |
| 1174 |
.101977040549E+07 .981881689582E+06 .941328336318E+06 .898453009109E+06 .853684460829E+06 |
| 1175 |
.807521220018E+06 .760513122615E+06 .713241303098E+06 .666297372034E+06 .620262605455E+06 |
| 1176 |
.575687909694E+06 .533075375406E+06 .492862089048E+06 .455406631545E+06 .420978869685E+06 |
| 1177 |
.389753243769E+06 .361805860505E+06 .337115515966E+06 .315568617964E+06 .296967785391E+06 |
| 1178 |
.281043708559E+06 .267469679617E+06 .255878062093E+06 .245877874801E+06 .237072622657E+06 |
| 1179 |
.229077514497E+06 .221535261783E+06 .214129746051E+06 .206596970052E+06 .198732860218E+06 |
| 1180 |
.190397659213E+06 .181516830677E+06 .172078588043E+06 .162128347205E+06 .151760573963E+06 |
| 1181 |
.141108627344E+06 .130333263674E+06 .119610460422E+06 .109119209831E+06 .990299196190E+05 |
| 1182 |
.894942024958E+05 .806368465268E+05 .725504854944E+05 .652932264852E+05 .588885843532E+05 |
| 1183 |
.533272271614E+05 .485701047070E+05 .445531154524E+05 .411928147889E+05 .383927919461E+05 |
| 1184 |
.360502018038E+05 .340619929810E+05 .323304345994E+05 .307676313768E+05 .292988287989E+05 |
| 1185 |
.278644326694E+05 .264207819497E+05 .249398071792E+05 .234077724309E+05 .218233354342E+05 |
| 1186 |
.201951705220E+05 .185393860995E+05 .168769473013E+05 .152312549900E+05 .136260271783E+05 |
| 1187 |
.120835451745E+05 .106233316404E+05 .926122341763E+04 .800887778087E+04 .687361825713E+04 |
| 1188 |
.585858042462E+04 .496308468416E+04 .418316731219E+04 .351222074709E+04 .294166407999E+04 |
| 1189 |
.246161920644E+04 .206154286643E+04 .173077268673E+04 .145897333579E+04 .123647470516E+04 |
| 1190 |
.105450609222E+04 .905336505288E+03 .782334211766E+03 .679959969220E+03 .593708799185E+03 |
| 1191 |
.520014897157E+03 .456133270895E+03 .400010580879E+03 .350154841328E+03 .305511709062E+03 |
| 1192 |
.265354273866E+03 .229183772370E+03 .196666332803E+03 .167550651585E+03 .141639873907E+03 |
| 1193 |
.118754334371E+03 .987146599090E+02 .813313225797E+02 .664015195635E+02 .537105778601E+02 |
| 1194 |
.430361059146E+02 .341534591145E+02 .268414557200E+02 .208876167627E+02 .160924907840E+02 |
| 1195 |
.122728542662E+02 .926375063601E+01 .691944918946E+01 .511347769614E+01 .373791778748E+01 |
| 1196 |
.270215976633E+01 |
| 1197 |
pspotential |
| 1198 |
-.175704312535E+03 -.175704423606E+03 -.175704531176E+03 -.175704635355E+03 -.175704736250E+03 |
| 1199 |
-.175704833964E+03 -.175704928597E+03 -.175705020246E+03 -.175705109004E+03 -.175705194962E+03 |
| 1200 |
-.175705278209E+03 -.175705358828E+03 -.175705436903E+03 -.175705512513E+03 -.175705585735E+03 |
| 1201 |
-.175705656645E+03 -.175705725314E+03 -.175705791814E+03 -.175705856211E+03 -.175705918571E+03 |
| 1202 |
-.175705978958E+03 -.175706037433E+03 -.175706094057E+03 -.175706148886E+03 -.175706201976E+03 |
| 1203 |
-.175706253382E+03 -.175706303155E+03 -.175706351346E+03 -.175706398004E+03 -.175706443177E+03 |
| 1204 |
-.175706486909E+03 -.175706529246E+03 -.175706570229E+03 -.175706609901E+03 -.175706648300E+03 |
| 1205 |
-.175706685467E+03 -.175706721437E+03 -.175706756247E+03 -.175706789931E+03 -.175706822524E+03 |
| 1206 |
-.175706854057E+03 -.175706884562E+03 -.175706914068E+03 -.175706942606E+03 -.175706970201E+03 |
| 1207 |
-.175706996882E+03 -.175707022674E+03 -.175707047603E+03 -.175707071690E+03 -.175707094961E+03 |
| 1208 |
-.175707117435E+03 -.175707139135E+03 -.175707160081E+03 -.175707180290E+03 -.175707199783E+03 |
| 1209 |
-.175707218574E+03 -.175707236682E+03 -.175707254121E+03 -.175707270907E+03 -.175707287052E+03 |
| 1210 |
-.175707302570E+03 -.175707317472E+03 -.175707331769E+03 -.175707345472E+03 -.175707358590E+03 |
| 1211 |
-.175707371131E+03 -.175707383102E+03 -.175707394510E+03 -.175707405360E+03 -.175707415656E+03 |
| 1212 |
-.175707425403E+03 -.175707434602E+03 -.175707443255E+03 -.175707451362E+03 -.175707458922E+03 |
| 1213 |
-.175707465933E+03 -.175707472392E+03 -.175707478294E+03 -.175707483634E+03 -.175707488404E+03 |
| 1214 |
-.175707492596E+03 -.175707496199E+03 -.175707499203E+03 -.175707501593E+03 -.175707503355E+03 |
| 1215 |
-.175707504472E+03 -.175707504926E+03 -.175707504695E+03 -.175707503758E+03 -.175707502088E+03 |
| 1216 |
-.175707499660E+03 -.175707496442E+03 -.175707492403E+03 -.175707487508E+03 -.175707481719E+03 |
| 1217 |
-.175707474994E+03 -.175707467289E+03 -.175707458556E+03 -.175707448743E+03 -.175707437796E+03 |
| 1218 |
-.175707425654E+03 -.175707412253E+03 -.175707397524E+03 -.175707381395E+03 -.175707363784E+03 |
| 1219 |
-.175707344608E+03 -.175707323776E+03 -.175707301190E+03 -.175707276747E+03 -.175707250336E+03 |
| 1220 |
-.175707221836E+03 -.175707191122E+03 -.175707158056E+03 -.175707122495E+03 -.175707084282E+03 |
| 1221 |
-.175707043252E+03 -.175706999228E+03 -.175706952021E+03 -.175706901429E+03 -.175706847237E+03 |
| 1222 |
-.175706789215E+03 -.175706727118E+03 -.175706660683E+03 -.175706589632E+03 -.175706513667E+03 |
| 1223 |
-.175706432469E+03 -.175706345700E+03 -.175706252997E+03 -.175706153976E+03 -.175706048224E+03 |
| 1224 |
-.175705935302E+03 -.175705814742E+03 -.175705686046E+03 -.175705548680E+03 -.175705402077E+03 |
| 1225 |
-.175705245631E+03 -.175705078697E+03 -.175704900586E+03 -.175704710564E+03 -.175704507849E+03 |
| 1226 |
-.175704291605E+03 -.175704060943E+03 -.175703814915E+03 -.175703552508E+03 -.175703272644E+03 |
| 1227 |
-.175702974173E+03 -.175702655868E+03 -.175702316424E+03 -.175701954445E+03 -.175701568446E+03 |
| 1228 |
-.175701156844E+03 -.175700717948E+03 -.175700249960E+03 -.175699750958E+03 -.175699218897E+03 |
| 1229 |
-.175698651595E+03 -.175698046726E+03 -.175697401810E+03 -.175696714205E+03 -.175695981091E+03 |
| 1230 |
-.175695199464E+03 -.175694366123E+03 -.175693477651E+03 -.175692530410E+03 -.175691520520E+03 |
| 1231 |
-.175690443842E+03 -.175689295969E+03 -.175688072199E+03 -.175686767521E+03 -.175685376592E+03 |
| 1232 |
-.175683893719E+03 -.175682312831E+03 -.175680627456E+03 -.175678830698E+03 -.175676915201E+03 |
| 1233 |
-.175674873129E+03 -.175672696126E+03 -.175670375286E+03 -.175667901116E+03 -.175665263495E+03 |
| 1234 |
-.175662451637E+03 -.175659454046E+03 -.175656258466E+03 -.175652851835E+03 -.175649220230E+03 |
| 1235 |
-.175645348813E+03 -.175641221767E+03 -.175636822235E+03 -.175632132250E+03 -.175627132666E+03 |
| 1236 |
-.175621803074E+03 -.175616121728E+03 -.175610065448E+03 -.175603609537E+03 -.175596727671E+03 |
| 1237 |
-.175589391803E+03 -.175581572045E+03 -.175573236547E+03 -.175564351375E+03 -.175554880371E+03 |
| 1238 |
-.175544785011E+03 -.175534024252E+03 -.175522554365E+03 -.175510328769E+03 -.175497297839E+03 |
| 1239 |
-.175483408717E+03 -.175468605098E+03 -.175452827014E+03 -.175436010595E+03 -.175418087824E+03 |
| 1240 |
-.175398986269E+03 -.175378628803E+03 -.175356933307E+03 -.175333812355E+03 -.175309172874E+03 |
| 1241 |
-.175282915796E+03 -.175254935675E+03 -.175225120293E+03 -.175193350236E+03 -.175159498448E+03 |
| 1242 |
-.175123429759E+03 -.175085000386E+03 -.175044057402E+03 -.175000438186E+03 -.174953969827E+03 |
| 1243 |
-.174904468509E+03 -.174851738855E+03 -.174795573240E+03 -.174735751063E+03 -.174672037989E+03 |
| 1244 |
-.174604185143E+03 -.174531928271E+03 -.174454986857E+03 -.174373063200E+03 -.174285841440E+03 |
| 1245 |
-.174192986551E+03 -.174094143276E+03 -.173988935029E+03 -.173876962737E+03 -.173757803645E+03 |
| 1246 |
-.173631010069E+03 -.173496108099E+03 -.173352596261E+03 -.173199944125E+03 -.173037590869E+03 |
| 1247 |
-.172864943798E+03 -.172681376820E+03 -.172486228873E+03 -.172278802316E+03 -.172058361283E+03 |
| 1248 |
-.171824129998E+03 -.171575291062E+03 -.171310983712E+03 -.171030302063E+03 -.170732293333E+03 |
| 1249 |
-.170415956071E+03 -.170080238390E+03 -.169724036226E+03 -.169346191637E+03 -.168945491169E+03 |
| 1250 |
-.168520664316E+03 -.168070382108E+03 -.167593255873E+03 -.167087836228E+03 -.166552612357E+03 |
| 1251 |
-.165986011662E+03 -.165386399878E+03 -.164752081756E+03 -.164081302446E+03 -.163372249715E+03 |
| 1252 |
-.162623057177E+03 -.161831808693E+03 -.160996544157E+03 -.160115266876E+03 -.159185952782E+03 |
| 1253 |
-.158206561753E+03 -.157175051347E+03 -.156089393351E+03 -.154947593618E+03 -.153747715902E+03 |
| 1254 |
-.152487910579E+03 -.151166449599E+03 -.149781769410E+03 -.148332524271E+03 -.146817652964E+03 |
| 1255 |
-.145236462503E+03 -.143588732649E+03 -.141874844456E+03 -.140095934177E+03 -.138254069802E+03 |
| 1256 |
-.136352440738E+03 -.134395541012E+03 -.132389313067E+03 -.130341203285E+03 -.128260063269E+03 |
| 1257 |
-.126155814905E+03 -.124038786992E+03 -.121918638487E+03 -.119802835640E+03 -.117694794341E+03 |
| 1258 |
-.115592068676E+03 -.113485262476E+03 -.111358254181E+03 -.109189247020E+03 -.106950358027E+03 |
| 1259 |
-.104604240578E+03 -.102120616769E+03 -.997980674422E+02 -.974484939215E+02 -.950638794150E+02 |
| 1260 |
-.927021914437E+02 |
| 1261 |
core charge-density (pseudized) |
| 1262 |
.285751904920E-07 .304637933567E-07 .324772185123E-07 .346237157630E-07 .369120801625E-07 |
| 1263 |
.393516880503E-07 .419525354710E-07 .447252791313E-07 .476812800653E-07 .508326501852E-07 |
| 1264 |
.541923019080E-07 .577740010636E-07 .615924232982E-07 .656632142066E-07 .700030534383E-07 |
| 1265 |
.746297230406E-07 .795621803189E-07 .848206355118E-07 .904266346011E-07 .964031475935E-07 |
| 1266 |
.102774662639E-06 .109567286365E-06 .116808850853E-06 .124529027668E-06 .132759449443E-06 |
| 1267 |
.141533839483E-06 .150888149950E-06 .160860709167E-06 .171492378668E-06 .182826720624E-06 |
| 1268 |
.194910176329E-06 .207792256495E-06 .221525744113E-06 .236166910727E-06 .251775746999E-06 |
| 1269 |
.268416208515E-06 .286156477838E-06 .305069243874E-06 .325231999711E-06 .346727360135E-06 |
| 1270 |
.369643400138E-06 .394074015793E-06 .420119308983E-06 .447885997556E-06 .477487852593E-06 |
| 1271 |
.509046164567E-06 .542690240316E-06 .578557932870E-06 .616796206278E-06 .657561737780E-06 |
| 1272 |
.701021559773E-06 .747353744206E-06 .796748132204E-06 .849407111922E-06 .905546447803E-06 |
| 1273 |
.965396164644E-06 .102920149009E-05 .109722385944E-05 .116974198680E-05 .124705300713E-05 |
| 1274 |
.132947369366E-05 .141734175588E-05 .151101722319E-05 .161088392012E-05 .171735103897E-05 |
| 1275 |
.183085481641E-05 .195186032092E-05 .208086335826E-05 .221839250305E-05 .236501126444E-05 |
| 1276 |
.252132039501E-05 .268796035227E-05 .286561392276E-05 .305500901972E-05 .325692166548E-05 |
| 1277 |
.347217917113E-05 .370166352620E-05 .394631501245E-05 .420713605646E-05 .448519533683E-05 |
| 1278 |
.478163216285E-05 .509766114249E-05 .543457715901E-05 .579376067633E-05 .617668339512E-05 |
| 1279 |
.658491428268E-05 .702012600124E-05 .748410176123E-05 .797874262734E-05 .850607530749E-05 |
| 1280 |
.906826045650E-05 .966760152857E-05 .103065542147E-04 .109877365041E-04 .117139394096E-04 |
| 1281 |
.124881384033E-04 .133135056068E-04 .141934227870E-04 .151314952115E-04 .161315664191E-04 |
| 1282 |
.171977339659E-04 .183343662130E-04 .195461202226E-04 .208379608372E-04 .222151810191E-04 |
| 1283 |
.236834235342E-04 .252487040684E-04 .269174358720E-04 .286964560312E-04 .305930534769E-04 |
| 1284 |
.326149988432E-04 .347705762985E-04 .370686174810E-04 .395185376741E-04 .421303743739E-04 |
| 1285 |
.449148284031E-04 .478833077419E-04 .510479742539E-04 .544217934985E-04 .580185878344E-04 |
| 1286 |
.618530930302E-04 .659410186142E-04 .702991122104E-04 .749452281236E-04 .798984004537E-04 |
| 1287 |
.851789210389E-04 .908084225454E-04 .968099670440E-04 .103208140435E-03 .110029153107E-03 |
| 1288 |
.117300947242E-03 .125053311204E-03 .133318001477E-03 .142128872650E-03 .151522015989E-03 |
| 1289 |
.161535907139E-03 .172211563588E-03 .183592712506E-03 .195725969665E-03 .208661030159E-03 |
| 1290 |
.222450871700E-03 .237151971322E-03 .252824536374E-03 .269532750736E-03 .287345037270E-03 |
| 1291 |
.306334337562E-03 .326578410098E-03 .348160148075E-03 .371167918155E-03 .395695921511E-03 |
| 1292 |
.421844578649E-03 .449720939548E-03 .479439120785E-03 .511120771415E-03 .544895569472E-03 |
| 1293 |
.580901751116E-03 .619286674529E-03 .660207420863E-03 .703831434628E-03 .750337206102E-03 |
| 1294 |
.799914998504E-03 .852767622830E-03 .909111263456E-03 .969176357801E-03 .103320853356E-02 |
| 1295 |
.110146960720E-02 .117423864777E-02 .125181311008E-02 .133451004191E-02 .142266736986E-02 |
| 1296 |
.151664526896E-02 .161682762140E-02 .172362357005E-02 .183746917289E-02 .195882916463E-02 |
| 1297 |
.208819883251E-02 .222610601335E-02 .237311321956E-02 .252981990228E-02 .269686486009E-02 |
| 1298 |
.287492880252E-02 .306473707801E-02 .326706257627E-02 .348272881610E-02 .371261322980E-02 |
| 1299 |
.395765065627E-02 .421883705541E-02 .449723345716E-02 .479397015925E-02 .511025118826E-02 |
| 1300 |
.544735903981E-02 .580665971376E-02 .618960806181E-02 .659775346518E-02 .703274586110E-02 |
| 1301 |
.749634213746E-02 .799041291611E-02 .851694974554E-02 .907807272513E-02 .967603858321E-02 |
| 1302 |
.103132492324E-01 .109922608258E-01 .117157933391E-01 .124867407026E-01 .133081815091E-01 |
| 1303 |
.141833903224E-01 .151158496123E-01 .161092623412E-01 .171675652261E-01 .182949427005E-01 |
| 1304 |
.194958415989E-01 .207749865844E-01 .221373963378E-01 .235884005251E-01 .251336575551E-01 |
| 1305 |
.267791731360E-01 .285313196330E-01 .303968562249E-01 .323829498474E-01 .344971969053E-01 |
| 1306 |
.367476457204E-01 .391428196749E-01 .416917409916E-01 .444039550761E-01 .472895553287E-01 |
| 1307 |
.503592083065E-01 .536241790950E-01 .570963567147E-01 .607882793544E-01 .647131591850E-01 |
| 1308 |
.688849064595E-01 .733181525566E-01 .780282715653E-01 .830313999418E-01 .883444536976E-01 |
| 1309 |
.939851424916E-01 .999719799070E-01 .106324289087E+00 .113062202788E+00 .120206656776E+00 |
| 1310 |
.127779375347E+00 .135802847597E+00 .144300292881E+00 .153295613718E+00 .162813334184E+00 |
| 1311 |
.172878521593E+00 .183516689054E+00 .194753676176E+00 .206615504967E+00 .219128207634E+00 |
| 1312 |
.232317622701E+00 .246209155549E+00 .260827499159E+00 .276196310512E+00 .292337837833E+00 |
| 1313 |
.309272493550E+00 .327018367657E+00 .345590675953E+00 .365001137601E+00 .385257276435E+00 |
| 1314 |
.406361640667E+00 .428310936031E+00 .451095068002E+00 .474696089708E+00 .499087053436E+00 |
| 1315 |
.524230765454E+00 .550078446158E+00 .576568300580E+00 .603624008041E+00 .631153144405E+00 |
| 1316 |
.659045556079E+00 .687171711779E+00 .715381066248E+00 .743500479733E+00 .771332748147E+00 |
| 1317 |
.798655311595E+00 .825219223284E+00 .850748476717E+00 .874939806254E+00 .897463094281E+00 |
| 1318 |
.917962536777E+00 .936058737081E+00 .951351914027E+00 .963426423585E+00 .971856800584E+00 |
| 1319 |
.976215526197E+00 .976082714080E+00 .971057879139E+00 .960773902603E+00 .944913229577E+00 |
| 1320 |
.923226223678E+00 .895551450668E+00 .861837461806E+00 .822165391200E+00 .776771364604E+00 |
| 1321 |
.726067337554E+00 .670658541076E+00 .611355223291E+00 .549175855441E+00 .485338455764E+00 |
| 1322 |
.421236227243E+00 .358393381811E+00 .298396937689E+00 .242800562569E+00 .192997359642E+00 |
| 1323 |
.150060050995E+00 .114549518116E+00 .862966309037E-01 .643179231629E-01 .474191606013E-01 |
| 1324 |
.345733315839E-01 |
| 1325 |
pseudo wavefunction |
| 1326 |
.162798829420E-11 .179202286997E-11 .197258541589E-11 .217134127474E-11 .239012358766E-11 |
| 1327 |
.263095020138E-11 .289604227897E-11 .318784478581E-11 .350904903968E-11 .386261753301E-11 |
| 1328 |
.425181125620E-11 .468021977395E-11 .515179433214E-11 .567088430046E-11 .624227728699E-11 |
| 1329 |
.687124329470E-11 .756358332708E-11 .832568289128E-11 .916457089210E-11 .100879844602E-10 |
| 1330 |
.111044403121E-10 .122233133009E-10 .134549228806E-10 .148106282841E-10 .163029332896E-10 |
| 1331 |
.179456015440E-10 .197537835065E-10 .217441561822E-10 .239350769351E-10 .263467527999E-10 |
| 1332 |
.290014268530E-10 .319235833618E-10 .351401736053E-10 .386808644475E-10 .425783119573E-10 |
| 1333 |
.468684625978E-10 .515908847632E-10 .567891337213E-10 .625111533265E-10 .688097182099E-10 |
| 1334 |
.757429205236E-10 .833747057283E-10 .917754623677E-10 .101022671267E-09 .111201620142E-09 |
| 1335 |
.122406190219E-09 .134739722101E-09 .148315968890E-09 .163260145340E-09 .179710082716E-09 |
| 1336 |
.197817500030E-09 .217749403344E-09 .239689626089E-09 .263840524566E-09 .290424844291E-09 |
| 1337 |
.319687774395E-09 .351899209015E-09 .387356236544E-09 .426385879697E-09 .469348111657E-09 |
| 1338 |
.516639176129E-09 .568695241921E-09 .625996425746E-09 .689071220363E-09 .758501368899E-09 |
| 1339 |
.834927230284E-09 .919053685314E-09 .101165663780E-08 .111359017074E-08 .122579442360E-08 |
| 1340 |
.134930426321E-08 .148525882839E-08 .163491203625E-08 .179964414712E-08 .198097449470E-08 |
| 1341 |
.218057549891E-08 .240028809064E-08 .264213869064E-08 .290835789926E-08 .320140106924E-08 |
| 1342 |
.352397095140E-08 .387904262212E-08 .426989092237E-08 .470012066149E-08 .517369986426E-08 |
| 1343 |
.569499636780E-08 .626881810594E-08 .690045745252E-08 .759574003261E-08 .836107845181E-08 |
| 1344 |
.920353143917E-08 .101308689491E-07 .111516438231E-07 .122752706711E-07 .135121127016E-07 |
| 1345 |
.148735772998E-07 .163722212360E-07 .180218664749E-07 .198377276520E-07 .218365523960E-07 |
| 1346 |
.240367757873E-07 .264586903808E-07 .291246333579E-07 .320591925363E-07 .352894331350E-07 |
| 1347 |
.388451473872E-07 .427591293033E-07 .470674771161E-07 .518099261988E-07 .570302155259E-07 |
| 1348 |
.627764910546E-07 .691017497489E-07 .760643283386E-07 .837284413218E-07 .921647731712E-07 |
| 1349 |
.101451130204E-06 .111673158131E-06 .122925131887E-06 .135310825053E-06 .148944466848E-06 |
| 1350 |
.163951795553E-06 .180471218051E-06 .198655086188E-06 .218671101718E-06 .240703862785E-06 |
| 1351 |
.264956566201E-06 .291652881212E-06 .321039012016E-06 .353385968070E-06 .388992063083E-06 |
| 1352 |
.428185665748E-06 .471328227571E-06 .518817615683E-06 .571091781372E-06 .628632798133E-06 |
| 1353 |
.691971306455E-06 .761691406288E-06 .838436042297E-06 .922912931492E-06 .101590108788E-05 |
| 1354 |
.111825800418E-05 .123092755691E-05 .135494870741E-05 .149146507920E-05 .164173549972E-05 |
| 1355 |
.180714560359E-05 .198922060412E-05 .218963935085E-05 .241024980235E-05 .265308605673E-05 |
| 1356 |
.292038709671E-05 .321461742149E-05 .353848975559E-05 .389499004317E-05 .428740495804E-05 |
| 1357 |
.471935218204E-05 .519481373045E-05 .571817263043E-05 .629425328984E-05 .692836592716E-05 |
| 1358 |
.762635547055E-05 .839465537528E-05 .924034685333E-05 .101712240588E-04 .111958658274E-04 |
| 1359 |
.123237146270E-04 .135651634444E-04 .149316514034E-04 .164357689902E-04 .180913738498E-04 |
| 1360 |
.199137182128E-04 .219195891182E-04 .241274627135E-04 .265576740425E-04 .292326038703E-04 |
| 1361 |
.321768842498E-04 .354176247045E-04 .389846610878E-04 .429108293835E-04 .472322669382E-04 |
| 1362 |
.519887438619E-04 .572240276057E-04 .629862840205E-04 .693285185310E-04 .763090614136E-04 |
| 1363 |
.839921015637E-04 .924482735653E-04 .101755303354E-03 .111998718277E-03 .123272627927E-03 |
| 1364 |
.135680582743E-03 .149336518069E-03 .164365792079E-03 .180906326829E-03 .199109862559E-03 |
| 1365 |
.219143336374E-03 .241190397474E-03 .265453072300E-03 .292153594206E-03 .321536413692E-03 |
| 1366 |
.353870406721E-03 .389451300315E-03 .428604336424E-03 .471687197012E-03 .519093215439E-03 |
| 1367 |
.571254901549E-03 .628647810356E-03 .691794786951E-03 .761270623227E-03 .837707165154E-03 |
| 1368 |
.921798912809E-03 .101430915906E-02 .111607671678E-02 .122802328875E-02 .135116153899E-02 |
| 1369 |
.148660392912E-02 .163557238866E-02 .179940889356E-02 .197958703323E-02 .217772465254E-02 |
| 1370 |
.239559766154E-02 .263515511266E-02 .289853565194E-02 .318808545824E-02 .350637779146E-02 |
| 1371 |
.385623427850E-02 .424074807277E-02 .466330903051E-02 .512763105371E-02 .563778175597E-02 |
| 1372 |
.619821461305E-02 .681380376420E-02 .748988163348E-02 .823227954112E-02 .904737147393E-02 |
| 1373 |
.994212117901E-02 .109241327372E-01 .120017047596E-01 .131838883327E-01 .144805488113E-01 |
| 1374 |
.159024315265E-01 .174612314311E-01 .191696666516E-01 .210415558466E-01 .230918991872E-01 |
| 1375 |
.253369626702E-01 .277943653540E-01 .304831689502E-01 .334239690316E-01 .366389868985E-01 |
| 1376 |
.401521608997E-01 .439892357085E-01 .481778477145E-01 .527476042984E-01 .577301543011E-01 |
| 1377 |
.631592464849E-01 .690707721923E-01 .755027877511E-01 .824955114298E-01 .900912889295E-01 |
| 1378 |
.983345204982E-01 .107271541774E+00 .116950449418E+00 .127420861491E+00 .138733601396E+00 |
| 1379 |
.150940293036E+00 .164092853753E+00 .178242870546E+00 .193440844224E+00 .209735285484E+00 |
| 1380 |
.227171646670E+00 .245791073183E+00 .265628959420E+00 .286713295930E+00 .309062797352E+00 |
| 1381 |
.332684805071E+00 .357572964523E+00 .383704685246E+00 .411038402298E+00 .439510671112E+00 |
| 1382 |
.469033144429E+00 .499489500088E+00 .530732412287E+00 .562580686610E+00 .594816710302E+00 |
| 1383 |
.627184403563E+00 .659387893867E+00 .691091171789E+00 .721919021065E+00 .751459543940E+00 |
| 1384 |
.779268620561E+00 .804876641923E+00 .827797832050E+00 .847542417314E+00 .863631798551E+00 |
| 1385 |
.875616723357E+00 .883098230204E+00 .885750832710E+00 .883347024772E+00 .875781715320E+00 |
| 1386 |
.863094655027E+00 .845488321709E+00 .823338132203E+00 .797191318827E+00 .767750453213E+00 |
| 1387 |
.735837560414E+00 .702335219380E+00 .668102199258E+00 .633863254851E+00 .600075238444E+00 |
| 1388 |
.566858031425E+00 |
| 1389 |
ae wavefunction |
| 1390 |
.433255977986E-07 .471967885458E-07 .513946221778E-07 .559482402994E-07 .608892701227E-07 |
| 1391 |
.662520468318E-07 .720738551915E-07 .783951921205E-07 .852600521186E-07 .927162376007E-07 |
| 1392 |
.100815696375E-06 .109614888701E-06 .119175186579E-06 .129563308159E-06 .140851790420E-06 |
| 1393 |
.153119503546E-06 .166452210728E-06 .180943177486E-06 .196693834916E-06 .213814501734E-06 |
| 1394 |
.232425170360E-06 .252656362809E-06 .274650062651E-06 .298560729868E-06 .324556406067E-06 |
| 1395 |
.352819918158E-06 .383550189377E-06 .416963667299E-06 .453295879380E-06 .492803127527E-06 |
| 1396 |
.535764334226E-06 .582483053895E-06 .633289664386E-06 .688543754897E-06 .748636728040E-06 |
| 1397 |
.813994635429E-06 .885081267909E-06 .962401523466E-06 .104650507796E-05 .113799038610E-05 |
| 1398 |
.123750904261E-05 .134577053621E-05 .146354743204E-05 .159168102143E-05 .173108748132E-05 |
| 1399 |
.188276458980E-05 .204779904795E-05 .222737446342E-05 .242278005548E-05 .263542014736E-05 |
| 1400 |
.286682451725E-05 .311865968609E-05 .339274122708E-05 .369104718993E-05 .401573274099E-05 |
| 1401 |
.436914612972E-05 .475384610194E-05 .517262089112E-05 .562850893108E-05 .612482144599E-05 |
| 1402 |
.666516708815E-05 .725347880880E-05 .789404316446E-05 .859153227900E-05 .935103870165E-05 |
| 1403 |
.101781134226E-04 .110788073309E-04 .120597164262E-04 .131280311198E-04 .142915899967E-04 |
| 1404 |
.155589384356E-04 .169393925252E-04 .184431087508E-04 .200811599654E-04 .218656182100E-04 |
| 1405 |
.238096449894E-04 .259275896700E-04 .282350967180E-04 .307492225629E-04 .334885629351E-04 |
| 1406 |
.364733916017E-04 .397258115029E-04 .432699193739E-04 .471319850339E-04 .513406466182E-04 |
| 1407 |
.559271231386E-04 .609254458721E-04 .663727102012E-04 .723093496637E-04 .787794341106E-04 |
| 1408 |
.858309940278E-04 .935163732403E-04 .101892612394E-03 .111021865801E-03 .120971854437E-03 |
| 1409 |
.131816358097E-03 .143635749935E-03 .156517576883E-03 .170557189677E-03 .185858426525E-03 |
| 1410 |
.202534354718E-03 .220708074816E-03 .240513592363E-03 .262096762444E-03 .285616312728E-03 |
| 1411 |
.311244951068E-03 .339170564099E-03 .369597513706E-03 .402748038649E-03 .438863769117E-03 |
| 1412 |
.478207362404E-03 .521064268409E-03 .567744634115E-03 .618585356726E-03 .673952295614E-03 |
| 1413 |
.734242653719E-03 .799887539545E-03 .871354721358E-03 .949151585661E-03 .103382831242E-02 |
| 1414 |
.112598127995E-02 .122625671264E-02 .133535458505E-02 .145403279611E-02 .158311162718E-02 |
| 1415 |
.172347849778E-02 .187609303275E-02 .204199245420E-02 .222229731113E-02 .241821755902E-02 |
| 1416 |
.263105900068E-02 .286223009857E-02 .311324916693E-02 .338575195081E-02 .368149959600E-02 |
| 1417 |
.400238701177E-02 .435045162470E-02 .472788251806E-02 .513702994676E-02 .558041521269E-02 |
| 1418 |
.606074087914E-02 .658090129626E-02 .714399340161E-02 .775332775105E-02 .841243972525E-02 |
| 1419 |
.912510084598E-02 .989533012379E-02 .107274053451E-01 .116258741910E-01 .125955650646E-01 |
| 1420 |
.136415974825E-01 .147693918710E-01 .159846785795E-01 .172935059073E-01 .187022469077E-01 |
| 1421 |
.202176047132E-01 .218466160898E-01 .235966529016E-01 .254754211308E-01 .274909570587E-01 |
| 1422 |
.296516201759E-01 .319660823421E-01 .344433126716E-01 .370925575740E-01 .399233153355E-01 |
| 1423 |
.429453045935E-01 .461684260333E-01 .496027166267E-01 .532582957318E-01 .571453023865E-01 |
| 1424 |
.612738231329E-01 .656538097211E-01 .702949860423E-01 .752067436496E-01 .803980252340E-01 |
| 1425 |
.858771954457E-01 .916518984882E-01 .977289019685E-01 .104113926576E+00 .110811461275E+00 |
| 1426 |
.117824563859E+00 .125154646890E+00 .132801249292E+00 .140761794092E+00 .149031333148E+00 |
| 1427 |
.157602279994E+00 .166464132324E+00 .175603186074E+00 .185002243466E+00 .194640317916E+00 |
| 1428 |
.204492339201E+00 .214528862837E+00 .224715788187E+00 .235014090398E+00 .245379571847E+00 |
| 1429 |
.255762639342E+00 .266108113858E+00 .276355080109E+00 .286436783628E+00 .296280583353E+00 |
| 1430 |
.305807967803E+00 .314934642721E+00 .323570697613E+00 .331620857794E+00 .338984827757E+00 |
| 1431 |
.345557731273E+00 .351230654266E+00 .355891298410E+00 .359424756333E+00 .361714422046E+00 |
| 1432 |
.362643051150E+00 .362093982419E+00 .359952524249E+00 .356107496888E+00 .350452909801E+00 |
| 1433 |
.342889749204E+00 .333327853985E+00 .321687862470E+00 .307903211902E+00 .291922167703E+00 |
| 1434 |
.273709854132E+00 .253250254300E+00 .230548145257E+00 .205630931830E+00 .178550340310E+00 |
| 1435 |
.149383930032E+00 .118236377826E+00 .852404879910E-01 .505578792851E-01 .143793010398E-01 |
| 1436 |
-.230754669176E-01 -.615581712029E-01 -.100793132790E+00 -.140478811356E+00 -.180289899018E+00 |
| 1437 |
-.219879935561E+00 -.258884401856E+00 -.296924198206E+00 -.333609370899E+00 -.368542963349E+00 |
| 1438 |
-.401324995874E+00 -.431556818247E+00 -.458846247013E+00 -.482813637617E+00 -.503098383065E+00 |
| 1439 |
-.519365046274E+00 -.531308764341E+00 -.538660037333E+00 -.541189077410E+00 -.538709735385E+00 |
| 1440 |
-.531082885764E+00 -.518219114600E+00 -.500080599733E+00 -.476682148186E+00 -.448091416541E+00 |
| 1441 |
-.414428371996E+00 -.375864060396E+00 -.332618743819E+00 -.284959462048E+00 -.233197063549E+00 |
| 1442 |
-.177682744941E+00 -.118804134693E+00 -.569809580714E-01 .733967400358E-02 .736883001825E-01 |
| 1443 |
.141578404327E+00 .210511894042E+00 .279984666583E+00 .349492141438E+00 .418534609142E+00 |
| 1444 |
.486622228819E+00 .553279539590E+00 .618049463913E+00 .680496954564E+00 .740212566442E+00 |
| 1445 |
.796816212038E+00 .849961136235E+00 .899337897832E+00 .944678004565E+00 .985756886178E+00 |
| 1446 |
.102239601749E+01 .105446412118E+01 .108187744914E+01 .110459917404E+01 .112263794391E+01 |
| 1447 |
.113604567306E+01 .114491466417E+01 .114937417459E+01 .114958654839E+01 .114574304586E+01 |
| 1448 |
.113805948749E+01 .112677183648E+01 .111213180947E+01 .109440262458E+01 .107385495727E+01 |
| 1449 |
.105076316182E+01 .102540181264E+01 .998042607073E+00 .968951647935E+00 .938387121779E+00 |
| 1450 |
.906597374693E+00 .873819377501E+00 .840277563572E+00 .806183014560E+00 .771732962824E+00 |
| 1451 |
.737110574317E+00 .702484972318E+00 .668011460814E+00 .633831906337E+00 .600075238444E+00 |
| 1452 |
.566858031425E+00 |
| 1453 |
pseudo wavefunction |
| 1454 |
-.265011285443E-12 -.291713574280E-12 -.321106360705E-12 -.353460736732E-12 -.389075109348E-12 |
| 1455 |
-.428277952748E-12 -.471430837878E-12 -.518931767233E-12 -.571218845663E-12 -.628774321051E-12 |
| 1456 |
-.692129032121E-12 -.761867304408E-12 -.838632339536E-12 -.923132147515E-12 -.101614607678E-11 |
| 1457 |
-.111853200217E-11 -.123123423719E-11 -.135529224348E-11 -.149185021784E-11 -.164216764526E-11 |
| 1458 |
-.180763091526E-11 -.198976610862E-11 -.219025307259E-11 -.241094091423E-11 -.265386505487E-11 |
| 1459 |
-.292126600294E-11 -.321561001837E-11 -.353961185908E-11 -.389625981941E-11 -.428884329137E-11 |
| 1460 |
-.472098310293E-11 -.519666491324E-11 -.572027597261E-11 -.629664558646E-11 -.693108965637E-11 |
| 1461 |
-.762945970898E-11 -.839819686512E-11 -.924439124665E-11 -.101758473692E-10 -.112011561238E-10 |
| 1462 |
-.123297740111E-10 -.135721103597E-10 -.149396233317E-10 -.164449256022E-10 -.181019006870E-10 |
| 1463 |
-.199258309911E-10 -.219335387595E-10 -.241435412292E-10 -.265762214158E-10 -.292540161065E-10 |
| 1464 |
-.322016227965E-10 -.354462274749E-10 -.390177553635E-10 -.429491469179E-10 -.472766616398E-10 |
| 1465 |
-.520402125001E-10 -.572837340580E-10 -.630555876724E-10 -.694090075401E-10 -.764025916780E-10 |
| 1466 |
-.841008423748E-10 -.925747610983E-10 -.101902503345E-09 -.112170099469E-09 -.123472248148E-09 |
| 1467 |
-.135913189786E-09 -.149607667928E-09 -.164681987542E-09 -.181275179935E-09 -.199540285035E-09 |
| 1468 |
-.219645762885E-09 -.241777047348E-09 -.266138256366E-09 -.292954074539E-09 -.322471825384E-09 |
| 1469 |
-.354963752405E-09 -.390729529981E-09 -.430099027258E-09 -.473435350520E-09 -.521138192103E-09 |
| 1470 |
-.573647516734E-09 -.631447619306E-09 -.695071591488E-09 -.765106238395E-09 -.842197490633E-09 |
| 1471 |
-.927056361657E-09 -.102046550537E-08 -.112328643442E-08 -.123646746585E-08 -.136105246725E-08 |
| 1472 |
-.149819048419E-08 -.164914633764E-08 -.181531228915E-08 -.199822088141E-08 -.219955907249E-08 |
| 1473 |
-.242118379419E-08 -.266513907805E-08 -.293367490677E-08 -.322926796509E-08 -.355464448131E-08 |
| 1474 |
-.391280537025E-08 -.430705390942E-08 -.474102620364E-08 -.521872471905E-08 -.574455519572E-08 |
| 1475 |
-.632336727929E-08 -.696049924629E-08 -.766182723554E-08 -.843381943964E-08 -.928359575616E-08 |
| 1476 |
-.102189934487E-07 -.112486394231E-07 -.123820297853E-07 -.136296174144E-07 -.150029083584E-07 |
| 1477 |
-.165145679410E-07 -.181785375585E-07 -.200101632428E-07 -.220263371762E-07 -.242456534623E-07 |
| 1478 |
-.266885795896E-07 -.293776451675E-07 -.323376496756E-07 -.355958911398E-07 -.391824178448E-07 |
| 1479 |
-.431303054013E-07 -.474759617229E-07 -.522594627222E-07 -.575249218208E-07 -.633208966777E-07 |
| 1480 |
-.697008368844E-07 -.767235767512E-07 -.844538777255E-07 -.929630254393E-07 -.102329486886E-06 |
| 1481 |
-.112639633780E-06 -.123988538763E-06 -.136480851783E-06 -.150231764735E-06 -.165368073217E-06 |
| 1482 |
-.182029345210E-06 -.200369207409E-06 -.220556761074E-06 -.242778140413E-06 -.267238227841E-06 |
| 1483 |
-.294162541908E-06 -.323799315256E-06 -.356421781710E-06 -.392330693557E-06 -.431857092143E-06 |
| 1484 |
-.475365357257E-06 -.523256563342E-06 -.575972173356E-06 -.633998104226E-06 -.697869201235E-06 |
| 1485 |
-.768174162411E-06 -.845560958129E-06 -.930742795651E-06 -.102450468331E-05 -.112771065453E-05 |
| 1486 |
-.124131171792E-05 -.136635460620E-05 -.150399140420E-05 -.165549014395E-05 -.182224646387E-05 |
| 1487 |
-.200579643862E-05 -.220783069694E-05 -.243020995624E-05 -.267498211602E-05 -.294440106568E-05 |
| 1488 |
-.324094737847E-05 -.356735107974E-05 -.392661669689E-05 -.432205081863E-05 -.475729241383E-05 |
| 1489 |
-.523634618511E-05 -.576361925938E-05 -.634396154750E-05 -.698271013790E-05 -.768573812496E-05 |
| 1490 |
-.845950831245E-05 -.931113227531E-05 -.102484353107E-04 -.112800278608E-04 -.124153840474E-04 |
| 1491 |
-.136649280193E-04 -.150401288834E-04 -.165536050629E-04 -.182192390109E-04 -.200523032914E-04 |
| 1492 |
-.220695991449E-04 -.242896087537E-04 -.267326625458E-04 -.294211229982E-04 -.323795865405E-04 |
| 1493 |
-.356351053115E-04 -.392174306812E-04 -.431592806362E-04 -.474966333113E-04 -.522690491696E-04 |
| 1494 |
-.575200245539E-04 -.632973795850E-04 -.696536836456E-04 -.766467219807E-04 -.843400072541E-04 |
| 1495 |
-.928033402373E-04 -.102113424166E-03 -.112354537690E-03 -.123619271741E-03 -.136009336110E-03 |
| 1496 |
-.149636441963E-03 -.164623267044E-03 -.181104510821E-03 -.199228047403E-03 -.219156184599E-03 |
| 1497 |
-.241067038118E-03 -.265156030518E-03 -.291637525117E-03 -.320746605758E-03 -.352741013922E-03 |
| 1498 |
-.387903255317E-03 -.426542888681E-03 -.468999010063E-03 -.515642946370E-03 -.566881172352E-03 |
| 1499 |
-.623158465470E-03 -.684961313252E-03 -.752821587608E-03 -.827320500315E-03 -.909092853153E-03 |
| 1500 |
-.998831595176E-03 -.109729269806E-02 -.120530035833E-02 -.132375253238E-02 -.145362680671E-02 |
| 1501 |
-.159598660076E-02 -.175198769401E-02 -.192288506164E-02 -.211003999373E-02 -.231492746224E-02 |
| 1502 |
-.253914368613E-02 -.278441382928E-02 -.305259974632E-02 -.334570766855E-02 -.366589569501E-02 |
| 1503 |
-.401548092201E-02 -.439694600679E-02 -.481294491778E-02 -.526630757310E-02 -.576004301115E-02 |
| 1504 |
-.629734066987E-02 -.688156927531E-02 -.751627275311E-02 -.820516247897E-02 -.895210507404E-02 |
| 1505 |
-.976110482920E-02 -.106362797070E-01 -.115818297222E-01 -.126019963411E-01 -.137010113694E-01 |
| 1506 |
-.148830336167E-01 -.161520714382E-01 -.175118890673E-01 -.189658944644E-01 -.205170062373E-01 |
| 1507 |
-.221674970366E-01 -.239188107165E-01 -.257713504872E-01 -.277242353028E-01 -.297750218336E-01 |
| 1508 |
-.319193896157E-01 -.341507873740E-01 -.364600391186E-01 -.388349094716E-01 -.412596288316E-01 |
| 1509 |
-.437143804748E-01 -.461747535844E-01 -.486111685264E-01 -.509882834828E-01 -.532643948421E-01 |
| 1510 |
-.553908474888E-01 -.573114752987E-01 -.589620965973E-01 -.602700938825E-01 -.611541114558E-01 |
| 1511 |
-.615239083195E-01 -.612804061994E-01 -.603159731098E-01 -.585149805504E-01 -.557546661028E-01 |
| 1512 |
-.519063216343E-01 -.468368091653E-01 -.404103804530E-01 -.324907414555E-01 -.229432586463E-01 |
| 1513 |
-.116371512291E-01 .155254611864E-02 .167435266648E-01 .340455932139E-01 .535612469749E-01 |
| 1514 |
.753878541592E-01 .996217027365E-01 .126364114402E+00 .155729504541E+00 .187854847163E+00 |
| 1515 |
.222909365657E+00 .261102407484E+00 .302686368793E+00 .347950252737E+00 .397200307980E+00 |
| 1516 |
.450749675616E+00 |
| 1517 |
ae wavefunction |
| 1518 |
-.634329222382E-08 -.691007308071E-08 -.752467767356E-08 -.819137262423E-08 -.891478847205E-08 |
| 1519 |
-.969995223036E-08 -.105523227604E-07 -.114778292147E-07 -.124829128265E-07 -.135745723455E-07 |
| 1520 |
-.147604134486E-07 -.160487024803E-07 -.174484249129E-07 -.189693489485E-07 -.206220947239E-07 |
| 1521 |
-.224182096199E-07 -.243702502231E-07 -.264918715353E-07 -.287979240807E-07 -.313045596196E-07 |
| 1522 |
-.340293462397E-07 -.369913936665E-07 -.402114897120E-07 -.437122488597E-07 -.475182740789E-07 |
| 1523 |
-.516563330556E-07 -.561555501391E-07 -.610476154175E-07 -.663670124646E-07 -.721512664424E-07 |
| 1524 |
-.784412143921E-07 -.852812997170E-07 -.927198930401E-07 -.100809641818E-06 -.109607851312E-06 |
| 1525 |
-.119176899742E-06 -.129584690732E-06 -.140905146404E-06 -.153218744809E-06 -.166613105711E-06 |
| 1526 |
-.181183629105E-06 -.197034191249E-06 -.214277903420E-06 -.233037939098E-06 -.253448435769E-06 |
| 1527 |
-.275655478141E-06 -.299818170145E-06 -.326109803796E-06 -.354719133712E-06 -.385851766880E-06 |
| 1528 |
-.419731678152E-06 -.456602862877E-06 -.496731139145E-06 -.540406113230E-06 -.587943323045E-06 |
| 1529 |
-.639686575792E-06 -.696010497429E-06 -.757323313192E-06 -.824069880123E-06 -.896734994475E-06 |
| 1530 |
-.975846998917E-06 -.106198171669E-05 -.115576674231E-05 -.125788612118E-05 -.136908545306E-05 |
| 1531 |
-.149017745798E-05 -.162204804605E-05 -.176566293682E-05 -.192207487757E-05 -.209243151439E-05 |
| 1532 |
-.227798397484E-05 -.248009622584E-05 -.270025527635E-05 -.294008230038E-05 -.320134476250E-05 |
| 1533 |
-.348596963509E-05 -.379605780463E-05 -.413389977234E-05 -.450199276397E-05 -.490305937317E-05 |
| 1534 |
-.534006787359E-05 -.581625434644E-05 -.633514678263E-05 -.690059133203E-05 -.751678088712E-05 |
| 1535 |
-.818828620343E-05 -.892008977668E-05 -.971762271418E-05 -.105868048576E-04 -.115340884358E-04 |
| 1536 |
-.125665055473E-04 -.136917197992E-04 -.149180824511E-04 -.162546934442E-04 -.177114677229E-04 |
| 1537 |
-.192992072889E-04 -.210296794619E-04 -.229157018552E-04 -.249712346155E-04 -.272114805150E-04 |
| 1538 |
-.296529935259E-04 -.323137965579E-04 -.352135090802E-04 -.383734854072E-04 -.418169644759E-04 |
| 1539 |
-.455692320012E-04 -.496577959531E-04 -.541125763614E-04 -.589661105153E-04 -.642537746948E-04 |
| 1540 |
-.700140236331E-04 -.762886489837E-04 -.831230581338E-04 -.905665747784E-04 -.986727627418E-04 |
| 1541 |
-.107499774604E-03 -.117110726765E-03 -.127574102640E-03 -.138964185762E-03 -.151361524602E-03 |
| 1542 |
-.164853431016E-03 -.179534514225E-03 -.195507252330E-03 -.212882603351E-03 -.231780657805E-03 |
| 1543 |
-.252331334872E-03 -.274675124113E-03 -.298963874726E-03 -.325361634216E-03 -.354045538276E-03 |
| 1544 |
-.385206753521E-03 -.419051474566E-03 -.455801976685E-03 -.495697725036E-03 -.538996541090E-03 |
| 1545 |
-.585975826484E-03 -.636933844065E-03 -.692191055293E-03 -.752091512537E-03 -.817004304022E-03 |
| 1546 |
-.887325048289E-03 -.963477434050E-03 -.104591480016E-02 -.113512174913E-02 -.123161578610E-02 |
| 1547 |
-.133594897373E-02 -.144870959131E-02 -.157052378475E-02 -.170205719163E-02 -.184401652300E-02 |
| 1548 |
-.199715108123E-02 -.216225418981E-02 -.234016450840E-02 -.253176720241E-02 -.273799493314E-02 |
| 1549 |
-.295982863044E-02 -.319829800522E-02 -.345448175512E-02 -.372950741095E-02 -.402455076639E-02 |
| 1550 |
-.434083482738E-02 -.467962821083E-02 -.504224291595E-02 -.543003138416E-02 -.584438275784E-02 |
| 1551 |
-.628671824254E-02 -.675848547449E-02 -.726115179320E-02 -.779619631977E-02 -.836510074230E-02 |
| 1552 |
-.896933871173E-02 -.961036375180E-02 -.102895955883E-01 -.110084048028E-01 -.117680957185E-01 |
| 1553 |
-.125698874283E-01 -.134148928810E-01 -.143040959500E-01 -.152383264219E-01 -.162182328579E-01 |
| 1554 |
-.172442533072E-01 -.183165838742E-01 -.194351451798E-01 -.205995467913E-01 -.218090497398E-01 |
| 1555 |
-.230625272955E-01 -.243584242237E-01 -.256947148069E-01 -.270688599845E-01 -.284777640350E-01 |
| 1556 |
-.299177312998E-01 -.313844235304E-01 -.328728185251E-01 -.343771708044E-01 -.358909751616E-01 |
| 1557 |
-.374069340093E-01 -.389169295206E-01 -.404120016387E-01 -.418823330899E-01 -.433172425776E-01 |
| 1558 |
-.447051873492E-01 -.460337763055E-01 -.472897947460E-01 -.484592417369E-01 -.495273809637E-01 |
| 1559 |
-.504788058814E-01 -.512975200596E-01 -.519670339068E-01 -.524704793819E-01 -.527907447048E-01 |
| 1560 |
-.529106312025E-01 -.528130340036E-01 -.524811470922E-01 -.518986914023E-01 -.510501629354E-01 |
| 1561 |
-.499210972552E-01 -.484983471774E-01 -.467703710750E-01 -.447275291357E-01 -.423623841869E-01 |
| 1562 |
-.396700029067E-01 -.366482526876E-01 -.332980890836E-01 -.296238284582E-01 -.256334000572E-01 |
| 1563 |
-.213385712675E-01 -.167551393607E-01 -.119030826639E-01 -.680666391989E-02 -.149447867508E-02 |
| 1564 |
.400055809717E-02 .964129325744E-02 .153864898113E-01 .211910581684E-01 .270063664082E-01 |
| 1565 |
.327806285361E-01 .384593644960E-01 .439859183787E-01 .493020149608E-01 .543483367884E-01 |
| 1566 |
.590651229297E-01 .633928257334E-01 .672728861086E-01 .706486486983E-01 .734663415470E-01 |
| 1567 |
.756760038418E-01 .772323091664E-01 .780953011480E-01 .782310671891E-01 .776123524791E-01 |
| 1568 |
.762190965883E-01 .740388697383E-01 .710671925903E-01 .673077344109E-01 .627723933164E-01 |
| 1569 |
.574812668231E-01 .514625220561E-01 .447521743106E-01 .373937813606E-01 .294380595883E-01 |
| 1570 |
.209424270155E-01 .119704778763E-01 .259139362723E-02 -.712070377687E-02 -.170874490148E-01 |
| 1571 |
-.272269717542E-01 -.374546648225E-01 -.476839679132E-01 -.578271485941E-01 -.677960579155E-01 |
| 1572 |
-.775028356890E-01 -.868605462297E-01 -.957837431656E-01 -.104188988012E+00 -.111995364933E+00 |
| 1573 |
-.119125027670E+00 -.125503778222E+00 -.131061638648E+00 -.135733357426E+00 -.139458799136E+00 |
| 1574 |
-.142183186524E+00 -.143857181850E+00 -.144436804619E+00 -.143883187627E+00 -.142162176299E+00 |
| 1575 |
-.139243779460E+00 -.135101482764E+00 -.129711438420E+00 -.123051545819E+00 -.115100438384E+00 |
| 1576 |
-.105836389380E+00 -.952361491595E-01 -.832737211467E-01 -.699190839867E-01 -.551368608705E-01 |
| 1577 |
-.388849340538E-01 -.211129979868E-01 -.176104043967E-02 .192422659544E-01 .419812848685E-01 |
| 1578 |
.665552806880E-01 .930804651344E-01 .121692274663E+00 .152547938314E+00 .185829408576E+00 |
| 1579 |
.221746742756E+00 .260542039905E+00 .302494058971E+00 .347923668529E+00 .397200307980E+00 |
| 1580 |
.450749675616E+00 |
| 1581 |
pseudo wavefunction |
| 1582 |
.663972351511E-04 .685563075965E-04 .707855876916E-04 .730873584138E-04 .754639769777E-04 |
| 1583 |
.779178772481E-04 .804515722335E-04 .830676566589E-04 .857688096233E-04 .885577973434E-04 |
| 1584 |
.914374759863E-04 .944107945946E-04 .974807981062E-04 .100650630473E-03 .103923537880E-03 |
| 1585 |
.107302872072E-03 .110792093780E-03 .114394776273E-03 .118114609013E-03 .121955401433E-03 |
| 1586 |
.125921086841E-03 .130015726445E-03 .134243513513E-03 .138608777669E-03 .143115989324E-03 |
| 1587 |
.147769764258E-03 .152574868341E-03 .157536222422E-03 .162658907359E-03 .167948169229E-03 |
| 1588 |
.173409424699E-03 .179048266572E-03 .184870469513E-03 .190881995968E-03 .197089002264E-03 |
| 1589 |
.203497844918E-03 .210115087146E-03 .216947505579E-03 .224002097213E-03 .231286086565E-03 |
| 1590 |
.238806933076E-03 .246572338749E-03 .254590256039E-03 .262868895992E-03 .271416736659E-03 |
| 1591 |
.280242531775E-03 .289355319725E-03 .298764432799E-03 .308479506749E-03 .318510490661E-03 |
| 1592 |
.328867657137E-03 .339561612819E-03 .350603309251E-03 .362004054094E-03 .373775522705E-03 |
| 1593 |
.385929770095E-03 .398479243274E-03 .411436793997E-03 .424815691925E-03 .438629638218E-03 |
| 1594 |
.452892779560E-03 .467619722651E-03 .482825549165E-03 .498525831193E-03 .514736647193E-03 |
| 1595 |
.531474598451E-03 .548756826088E-03 .566601028610E-03 .585025480034E-03 .604049048601E-03 |
| 1596 |
.623691216101E-03 .643972097822E-03 .664912463151E-03 .686533756842E-03 .708858120980E-03 |
| 1597 |
.731908417651E-03 .755708252362E-03 .780281998210E-03 .805654820842E-03 .831852704228E-03 |
| 1598 |
.858902477274E-03 .886831841288E-03 .915669398359E-03 .945444680641E-03 .976188180596E-03 |
| 1599 |
.100793138223E-02 .104070679331E-02 .107454797870E-02 .110948959468E-02 .114556742448E-02 |
| 1600 |
.118281841490E-02 .122128071416E-02 .126099371095E-02 .130199807480E-02 .134433579767E-02 |
| 1601 |
.138805023702E-02 .143318616017E-02 .147978979016E-02 .152790885307E-02 .157759262691E-02 |
| 1602 |
.162889199208E-02 .168185948348E-02 .173654934429E-02 .179301758154E-02 .185132202346E-02 |
| 1603 |
.191152237869E-02 .197368029742E-02 .203785943455E-02 .210412551486E-02 .217254640030E-02 |
| 1604 |
.224319215952E-02 .231613513957E-02 .239145004004E-02 .246921398954E-02 .254950662467E-02 |
| 1605 |
.263241017156E-02 .271800953012E-02 .280639236091E-02 .289764917497E-02 .299187342648E-02 |
| 1606 |
.308916160844E-02 .318961335151E-02 .329333152601E-02 .340042234727E-02 .351099548439E-02 |
| 1607 |
.362516417253E-02 .374304532888E-02 .386475967237E-02 .399043184727E-02 .412019055082E-02 |
| 1608 |
.425416866505E-02 .439250339277E-02 .453533639811E-02 .468281395158E-02 .483508707977E-02 |
| 1609 |
.499231172005E-02 .515464888020E-02 .532226480327E-02 .549533113777E-02 .567402511344E-02 |
| 1610 |
.585852972266E-02 .604903390782E-02 .624573275476E-02 .644882769247E-02 .665852669932E-02 |
| 1611 |
.687504451593E-02 .709860286506E-02 .732943067851E-02 .756776433150E-02 .781384788462E-02 |
| 1612 |
.806793333361E-02 .833028086733E-02 .860115913403E-02 .888084551630E-02 .916962641496E-02 |
| 1613 |
.946779754213E-02 .977566422386E-02 .100935417125E-01 .104217555095E-01 .107606416979E-01 |
| 1614 |
.111105472870E-01 .114718305664E-01 .118448614734E-01 .122300219709E-01 .126277064379E-01 |
| 1615 |
.130383220736E-01 .134622893128E-01 .139000422567E-01 .143520291161E-01 .148187126701E-01 |
| 1616 |
.153005707386E-01 .157980966711E-01 .163117998507E-01 .168422062147E-01 .173898587916E-01 |
| 1617 |
.179553182560E-01 .185391635014E-01 .191419922307E-01 .197644215670E-01 .204070886833E-01 |
| 1618 |
.210706514523E-01 .217557891184E-01 .224632029894E-01 .231936171525E-01 .239477792120E-01 |
| 1619 |
.247264610512E-01 .255304596185E-01 .263605977393E-01 .272177249535E-01 .281027183795E-01 |
| 1620 |
.290164836067E-01 .299599556162E-01 .309340997302E-01 .319399125928E-01 .329784231813E-01 |
| 1621 |
.340506938500E-01 .351578214068E-01 .363009382240E-01 .374812133849E-01 .386998538651E-01 |
| 1622 |
.399581057530E-01 .412572555066E-01 .425986312511E-01 .439836041165E-01 .454135896170E-01 |
| 1623 |
.468900490727E-01 .484144910762E-01 .499884730036E-01 .516136025719E-01 .532915394445E-01 |
| 1624 |
.550239968844E-01 .568127434585E-01 .586596047920E-01 .605664653754E-01 .625352704248E-01 |
| 1625 |
.645680277971E-01 .666668099598E-01 .688337560186E-01 .710710738010E-01 .733810419996E-01 |
| 1626 |
.757660123736E-01 .782284120103E-01 .807707456472E-01 .833955980533E-01 .861056364728E-01 |
| 1627 |
.889036131274E-01 .917923677798E-01 .947748303558E-01 .978540236246E-01 .101033065935E+00 |
| 1628 |
.104315174005E+00 .107703665766E+00 .111201963250E+00 .114813595520E+00 .118542201644E+00 |
| 1629 |
.122391533694E+00 .126365459767E+00 .130467967028E+00 .134703164744E+00 .139075287311E+00 |
| 1630 |
.143588697258E+00 .148247888199E+00 .153057487717E+00 .158022260155E+00 .163147109286E+00 |
| 1631 |
.168437080816E+00 .173897364694E+00 .179533297167E+00 .185350362536E+00 .191354194542E+00 |
| 1632 |
.197550577302E+00 .203945445729E+00 .210544885303E+00 .217355131108E+00 .224382565978E+00 |
| 1633 |
.231633717615E+00 .239115254473E+00 .246833980234E+00 .254796826609E+00 .263010844201E+00 |
| 1634 |
.271483191116E+00 .280221118948E+00 .289231955732E+00 .298523085373E+00 .308101923018E+00 |
| 1635 |
.317975885725E+00 .328152357731E+00 .338638649492E+00 .349441949567E+00 .360569268298E+00 |
| 1636 |
.372027372087E+00 .383822706919E+00 .395961309627E+00 .408448705169E+00 .421289788039E+00 |
| 1637 |
.434488685651E+00 .448048601378E+00 .461971634606E+00 .476258574976E+00 .490908667691E+00 |
| 1638 |
.505919346537E+00 .521285931020E+00 .537001283822E+00 .553055424604E+00 .569435096110E+00 |
| 1639 |
.586123278501E+00 .603098647998E+00 .620334976177E+00 .637800466815E+00 .655457027942E+00 |
| 1640 |
.673259477906E+00 .691154685819E+00 .709080648820E+00 .726965511287E+00 .744726534506E+00 |
| 1641 |
.762269029552E+00 .779485271246E+00 .796253417256E+00 .812436463599E+00 .827881276214E+00 |
| 1642 |
.842417747689E+00 .855858138618E+00 .867996674229E+00 .878609478332E+00 .887454937835E+00 |
| 1643 |
.894274601109E+00 .898794721238E+00 .900728559178E+00 .899779560163E+00 .895641685835E+00 |
| 1644 |
.888099081715E+00 |
| 1645 |
ae wavefunction |
| 1646 |
-.624992279524E-02 -.641428796845E-02 -.658288650903E-02 -.675582275626E-02 -.693320332034E-02 |
| 1647 |
-.711513711367E-02 -.730173538111E-02 -.749311172932E-02 -.768938215489E-02 -.789066507128E-02 |
| 1648 |
-.809708133431E-02 -.830875426607E-02 -.852580967704E-02 -.874837588632E-02 -.897658373963E-02 |
| 1649 |
-.921056662500E-02 -.945046048583E-02 -.969640383108E-02 -.994853774244E-02 -.102070058780E-01 |
| 1650 |
-.104719544722E-01 -.107435323320E-01 -.110218908288E-01 -.113071838848E-01 -.115995679557E-01 |
| 1651 |
-.118992020069E-01 -.122062474842E-01 -.125208682781E-01 -.128432306817E-01 -.131735033407E-01 |
| 1652 |
-.135118571964E-01 -.138584654193E-01 -.142135033352E-01 -.145771483405E-01 -.149495798082E-01 |
| 1653 |
-.153309789824E-01 -.157215288619E-01 -.161214140711E-01 -.165308207175E-01 -.169499362362E-01 |
| 1654 |
-.173789492183E-01 -.178180492246E-01 -.182674265818E-01 -.187272721613E-01 -.191977771391E-01 |
| 1655 |
-.196791327352E-01 -.201715299326E-01 -.206751591728E-01 -.211902100283E-01 -.217168708497E-01 |
| 1656 |
-.222553283855E-01 -.228057673747E-01 -.233683701091E-01 -.239433159640E-01 -.245307808962E-01 |
| 1657 |
-.251309369066E-01 -.257439514665E-01 -.263699869043E-01 -.270091997521E-01 -.276617400490E-01 |
| 1658 |
-.283277505995E-01 -.290073661839E-01 -.297007127195E-01 -.304079063698E-01 -.311290525982E-01 |
| 1659 |
-.318642451652E-01 -.326135650651E-01 -.333770794010E-01 -.341548401931E-01 -.349468831198E-01 |
| 1660 |
-.357532261874E-01 -.365738683255E-01 -.374087879056E-01 -.382579411794E-01 -.391212606344E-01 |
| 1661 |
-.399986532632E-01 -.408899987435E-01 -.417951475263E-01 -.427139188289E-01 -.436460985296E-01 |
| 1662 |
-.445914369627E-01 -.455496466086E-01 -.465203996789E-01 -.475033255934E-01 -.484980083453E-01 |
| 1663 |
-.495039837554E-01 -.505207366118E-01 -.515476976935E-01 -.525842406793E-01 -.536296789390E-01 |
| 1664 |
-.546832622086E-01 -.557441731494E-01 -.568115237928E-01 -.578843518729E-01 -.589616170488E-01 |
| 1665 |
-.600421970222E-01 -.611248835534E-01 -.622083783826E-01 -.632912890639E-01 -.643721247198E-01 |
| 1666 |
-.654492917267E-01 -.665210893442E-01 -.675857052995E-01 -.686412113449E-01 -.696855588050E-01 |
| 1667 |
-.707165741328E-01 -.717319544997E-01 -.727292634424E-01 -.737059265956E-01 -.746592275435E-01 |
| 1668 |
-.755863038219E-01 -.764841431125E-01 -.773495796697E-01 -.781792910269E-01 -.789697950333E-01 |
| 1669 |
-.797174472760E-01 -.804184389491E-01 -.810687952325E-01 -.816643742544E-01 -.822008667110E-01 |
| 1670 |
-.826737962271E-01 -.830785205444E-01 -.834102336335E-01 -.836639688272E-01 -.838346030850E-01 |
| 1671 |
-.839168624994E-01 -.839053291647E-01 -.837944495347E-01 -.835785443997E-01 -.832518206221E-01 |
| 1672 |
-.828083847731E-01 -.822422588205E-01 -.815473980181E-01 -.807177111560E-01 -.797470833298E-01 |
| 1673 |
-.786294013906E-01 -.773585822372E-01 -.759286041114E-01 -.743335410533E-01 -.725676006713E-01 |
| 1674 |
-.706251653693E-01 -.685008371698E-01 -.661894862541E-01 -.636863033267E-01 -.609868558912E-01 |
| 1675 |
-.580871485002E-01 -.549836870149E-01 -.516735468753E-01 -.481544453439E-01 -.444248176429E-01 |
| 1676 |
-.404838968502E-01 -.363317973668E-01 -.319696017003E-01 -.273994502372E-01 -.226246335983E-01 |
| 1677 |
-.176496870821E-01 -.124804866085E-01 -.712434547298E-02 -.159011111788E-02 .411173897912E-02 |
| 1678 |
.996900330816E-02 .159676653375E-01 .220918067568E-01 .283235262955E-01 .346428655910E-01 |
| 1679 |
.410277437315E-01 .474539022852E-01 .538948628205E-01 .603218991429E-01 .667040266644E-01 |
| 1680 |
.730080114885E-01 .791984019067E-01 .852375850627E-01 .910858715513E-01 .967016106879E-01 |
| 1681 |
.102041339105E+00 .107059965226E+00 .111710992006E+00 .115946780153E+00 .119718853791E+00 |
| 1682 |
.122978250272E+00 .125675915450E+00 .127763145337E+00 .129192074513E+00 .129916211071E+00 |
| 1683 |
.129891017145E+00 .129074533272E+00 .127428043904E+00 .124916780382E+00 .121510656545E+00 |
| 1684 |
.117185030934E+00 .111921488267E+00 .105708631455E+00 .985428740581E-01 .904292215879E-01 |
| 1685 |
.813820286615E-01 .714257175818E-01 .605954426125E-01 .489376830014E-01 .365107467745E-01 |
| 1686 |
.233851665261E-01 .964396795251E-02 -.461720816713E-02 -.192901493329E-01 -.342542977026E-01 |
| 1687 |
-.493771755008E-01 -.645150235655E-01 -.795136654273E-01 -.942096081710E-01 -.108431390696E+00 |
| 1688 |
-.122001189221E+00 -.134736687676E+00 -.146453215401E+00 -.156966145244E+00 -.166093533394E+00 |
| 1689 |
-.173658971796E+00 -.179494617516E+00 -.183444359239E+00 -.185367076119E+00 -.185139937302E+00 |
| 1690 |
-.182661683243E+00 -.177855823935E+00 -.170673684860E+00 -.161097228353E+00 -.149141575677E+00 |
| 1691 |
-.134857153494E+00 -.118331387870E+00 -.996898700293E-01 -.790969212432E-01 -.567554900384E-01 |
| 1692 |
-.329063236460E-01 -.782636737468E-02 .181736397515E-01 .447523873920E-01 .715420279865E-01 |
| 1693 |
.981529900186E-01 .124179502642E+00 .149205719346E+00 .172812287217E+00 .194583201826E+00 |
| 1694 |
.214112852091E+00 .231013293004E+00 .244921875525E+00 .255509203640E+00 .262487003787E+00 |
| 1695 |
.265615331374E+00 .264708795184E+00 .259641761174E+00 .250352543664E+00 .236846517626E+00 |
| 1696 |
.219198032812E+00 .197551019697E+00 .172118232248E+00 .143179138775E+00 .111076524364E+00 |
| 1697 |
.762119000160E-01 .390398301725E-01 .612989728750E-04 -.401837588008E-01 -.811246309431E-01 |
| 1698 |
-.122168567930E+00 -.162709945080E+00 -.202139693118E+00 -.239854834463E+00 -.275267954796E+00 |
| 1699 |
-.307816434102E+00 -.336971258315E+00 -.362245231053E+00 -.383200404451E+00 -.399454556066E+00 |
| 1700 |
-.410686569014E+00 -.416640644646E+00 -.417129384892E+00 -.412035880312E+00 -.401314952966E+00 |
| 1701 |
-.384993605593E+00 -.363170562154E+00 -.336014696144E+00 -.303762176926E+00 -.266712291930E+00 |
| 1702 |
-.225222034639E+00 -.179699632666E+00 -.130597228696E+00 -.784029407743E-01 -.236325322673E-01 |
| 1703 |
.331790804865E-01 .914862643488E-01 .150740848492E+00 .210399869975E+00 .269932739225E+00 |
| 1704 |
.328827709489E+00 .386597568285E+00 .442784494822E+00 .496964063957E+00 .548748397940E+00 |
| 1705 |
.597788489366E+00 .643775740123E+00 .686442781409E+00 .725563645399E+00 .760953372499E+00 |
| 1706 |
.792467142480E+00 .819999018415E+00 .843480390364E+00 .862878200035E+00 .878193018915E+00 |
| 1707 |
.889457041526E+00 .896732043037E+00 .900107337513E+00 .899697760281E+00 .895641685835E+00 |
| 1708 |
.888099081715E+00 |
| 1709 |
pseudo wavefunction |
| 1710 |
.292991384431E-05 .302518733494E-05 .312355888197E-05 .322512922650E-05 .333000238544E-05 |
| 1711 |
.343828575811E-05 .355009023616E-05 .366553031720E-05 .378472422198E-05 .390779401552E-05 |
| 1712 |
.403486573208E-05 .416606950426E-05 .430153969623E-05 .444141504136E-05 .458583878430E-05 |
| 1713 |
.473495882765E-05 .488892788345E-05 .504790362953E-05 .521204887106E-05 .538153170720E-05 |
| 1714 |
.555652570331E-05 .573721006864E-05 .592376983993E-05 .611639607082E-05 .631528602757E-05 |
| 1715 |
.652064339107E-05 .673267846540E-05 .695160839322E-05 .717765737816E-05 .741105691439E-05 |
| 1716 |
.765204602373E-05 .790087150042E-05 .815778816384E-05 .842305911951E-05 .869695602848E-05 |
| 1717 |
.897975938561E-05 .927175880677E-05 .957325332547E-05 .988455169907E-05 .102059727250E-04 |
| 1718 |
.105378455673E-04 .108805100935E-04 .112343172230E-04 .115996292863E-04 .119768203960E-04 |
| 1719 |
.123662768300E-04 .127683974270E-04 .131835939952E-04 .136122917338E-04 .140549296686E-04 |
| 1720 |
.145119611016E-04 .149838540751E-04 .154710918511E-04 .159741734064E-04 .164936139434E-04 |
| 1721 |
.170299454179E-04 .175837170837E-04 .181554960554E-04 .187458678890E-04 .193554371815E-04 |
| 1722 |
.199848281904E-04 .206346854730E-04 .213056745461E-04 .219984825683E-04 .227138190433E-04 |
| 1723 |
.234524165465E-04 .242150314757E-04 .250024448256E-04 .258154629875E-04 .266549185756E-04 |
| 1724 |
.275216712794E-04 .284166087445E-04 .293406474818E-04 .302947338059E-04 .312798448048E-04 |
| 1725 |
.322969893404E-04 .333472090820E-04 .344315795732E-04 .355512113338E-04 .367072509970E-04 |
| 1726 |
.379008824844E-04 .391333282183E-04 .404058503743E-04 .417197521741E-04 .430763792204E-04 |
| 1727 |
.444771208760E-04 .459234116863E-04 .474167328497E-04 .489586137349E-04 .505506334476E-04 |
| 1728 |
.521944224486E-04 .538916642247E-04 .556440970131E-04 .574535155828E-04 .593217730741E-04 |
| 1729 |
.612507828971E-04 .632425206929E-04 .652990263584E-04 .674224061367E-04 .696148347763E-04 |
| 1730 |
.718785577602E-04 .742158936075E-04 .766292362506E-04 .791210574892E-04 .816939095248E-04 |
| 1731 |
.843504275777E-04 .870933325894E-04 .899254340128E-04 .928496326940E-04 .958689238481E-04 |
| 1732 |
.989864001312E-04 .102205254814E-03 .105528785059E-03 .108960395302E-03 .112503600749E-03 |
| 1733 |
.116162030984E-03 .119939433695E-03 .123839678522E-03 .127866761031E-03 .132024806823E-03 |
| 1734 |
.136318075766E-03 .140750966377E-03 .145328020344E-03 .150053927194E-03 .154933529114E-03 |
| 1735 |
.159971825938E-03 .165173980287E-03 .170545322885E-03 .176091358049E-03 .181817769359E-03 |
| 1736 |
.187730425513E-03 .193835386379E-03 .200138909244E-03 .206647455273E-03 .213367696175E-03 |
| 1737 |
.220306521099E-03 .227471043749E-03 .234868609746E-03 .242506804224E-03 .250393459687E-03 |
| 1738 |
.258536664125E-03 .266944769402E-03 .275626399922E-03 .284590461590E-03 .293846151074E-03 |
| 1739 |
.303402965370E-03 .313270711705E-03 .323459517763E-03 .333979842258E-03 .344842485878E-03 |
| 1740 |
.356058602586E-03 .367639711322E-03 .379597708096E-03 .391944878502E-03 .404693910666E-03 |
| 1741 |
.417857908638E-03 .431450406251E-03 .445485381471E-03 .459977271241E-03 .474940986855E-03 |
| 1742 |
.490391929875E-03 .506346008614E-03 .522819655211E-03 .539829843321E-03 .557394106443E-03 |
| 1743 |
.575530556919E-03 .594257905632E-03 .613595482426E-03 .633563257294E-03 .654181862351E-03 |
| 1744 |
.675472614650E-03 .697457539854E-03 .720159396831E-03 .743601703193E-03 .767808761842E-03 |
| 1745 |
.792805688563E-03 .818618440718E-03 .845273847101E-03 .872799639009E-03 .901224482596E-03 |
| 1746 |
.930578012581E-03 .960890867371E-03 .992194725694E-03 .102452234482E-02 .105790760044E-02 |
| 1747 |
.109238552837E-02 .112799236803E-02 .116476560804E-02 .120274403384E-02 .124196777753E-02 |
| 1748 |
.128247837020E-02 .132431879665E-02 .136753355288E-02 .141216870642E-02 .145827195971E-02 |
| 1749 |
.150589271673E-02 .155508215306E-02 .160589328971E-02 .165838107083E-02 .171260244569E-02 |
| 1750 |
.176861645515E-02 .182648432296E-02 .188626955223E-02 .194803802744E-02 .201185812234E-02 |
| 1751 |
.207780081420E-02 .214593980490E-02 .221635164918E-02 .228911589080E-02 .236431520691E-02 |
| 1752 |
.244203556146E-02 .252236636807E-02 .260540066311E-02 .269123528973E-02 .277997109349E-02 |
| 1753 |
.287171313041E-02 .296657088829E-02 .306465852197E-02 .316609510368E-02 .327100488914E-02 |
| 1754 |
.337951760032E-02 .349176872599E-02 .360789984065E-02 .372805894296E-02 .385240081435E-02 |
| 1755 |
.398108739857E-02 .411428820288E-02 .425218072126E-02 .439495087999E-02 .454279350553E-02 |
| 1756 |
.469591281451E-02 .485452292486E-02 .501884838707E-02 .518912473330E-02 .536559904186E-02 |
| 1757 |
.554853051306E-02 .573819105160E-02 .593486584886E-02 .613885395701E-02 .635046884433E-02 |
| 1758 |
.657003891893E-02 .679790800470E-02 .703443574972E-02 .727999794326E-02 .753498671173E-02 |
| 1759 |
.779981055858E-02 .807489420527E-02 .836067818227E-02 .865761810898E-02 .896618358961E-02 |
| 1760 |
.928685663846E-02 .962012953179E-02 .996650196489E-02 .103264773709E-01 .107005582329E-01 |
| 1761 |
.110892401909E-01 .114930047123E-01 .119123100531E-01 .123475801956E-01 .127991913918E-01 |
| 1762 |
.132674558872E-01 .137526023274E-01 .142547522771E-01 .147738921911E-01 .153098400780E-01 |
| 1763 |
.158622059901E-01 .164303453449E-01 .170133039485E-01 .176097534396E-01 .182179157040E-01 |
| 1764 |
.188354746307E-01 .194594733851E-01 .200861951673E-01 .207110252101E-01 .213282915465E-01 |
| 1765 |
.219310818608E-01 .225110335212E-01 .230580937060E-01 .235602463754E-01 .240032027406E-01 |
| 1766 |
.243700518597E-01 .246408680714E-01 .247922722155E-01 .247969440092E-01 .246230836317E-01 |
| 1767 |
.242338215616E-01 .235865771077E-01 .226323679637E-01 .213150756032E-01 .195706745451E-01 |
| 1768 |
.173264375795E-01 .145001341099E-01 .109992449659E-01 .672022453185E-02 .154784993340E-02 |
| 1769 |
-.464529257226E-02 -.119991219099E-01 -.206661016641E-01 -.308109144052E-01 -.426096647735E-01 |
| 1770 |
-.562484890293E-01 -.719214329968E-01 -.898274461995E-01 -.110166329176E+00 -.133133465664E+00 |
| 1771 |
-.158913174340E+00 -.187670529487E+00 -.219541530379E+00 -.254621549820E+00 -.292946549488E+00 |
| 1772 |
-.334529061939E+00 |
| 1773 |
ae wavefunction |
| 1774 |
.722286842597E-04 .741282296313E-04 .760767020703E-04 .780753076077E-04 .801252785334E-04 |
| 1775 |
.822278737576E-04 .843843791624E-04 .865961079412E-04 .888644009251E-04 .911906268954E-04 |
| 1776 |
.935761828793E-04 .960224944272E-04 .985310158700E-04 .101103230554E-03 .103740651052E-03 |
| 1777 |
.106444819342E-03 .109217306965E-03 .112059715141E-03 .114973674856E-03 .117960846905E-03 |
| 1778 |
.121022921893E-03 .124161620196E-03 .127378691864E-03 .130675916476E-03 .134055102931E-03 |
| 1779 |
.137518089184E-03 .141066741909E-03 .144702956088E-03 .148428654527E-03 .152245787287E-03 |
| 1780 |
.156156331021E-03 .160162288221E-03 .164265686359E-03 .168468576918E-03 .172773034307E-03 |
| 1781 |
.177181154656E-03 .181695054463E-03 .186316869117E-03 .191048751258E-03 .195892868981E-03 |
| 1782 |
.200851403865E-03 .205926548824E-03 .211120505763E-03 .216435483029E-03 .221873692644E-03 |
| 1783 |
.227437347305E-03 .233128657146E-03 .238949826230E-03 .244903048777E-03 .250990505094E-03 |
| 1784 |
.257214357199E-03 .263576744126E-03 .270079776877E-03 .276725533020E-03 .283516050901E-03 |
| 1785 |
.290453323452E-03 .297539291577E-03 .304775837090E-03 .312164775182E-03 .319707846389E-03 |
| 1786 |
.327406708050E-03 .335262925205E-03 .343277960931E-03 .351453166069E-03 .359789768325E-03 |
| 1787 |
.368288860712E-03 .376951389296E-03 .385778140224E-03 .394769726001E-03 .403926570976E-03 |
| 1788 |
.413248896010E-03 .422736702293E-03 .432389754269E-03 .442207561642E-03 .452189360425E-03 |
| 1789 |
.462334092993E-03 .472640387117E-03 .483106533928E-03 .493730464793E-03 .504509727059E-03 |
| 1790 |
.515441458638E-03 .526522361399E-03 .537748673344E-03 .549116139531E-03 .560619981726E-03 |
| 1791 |
.572254866766E-03 .584014873599E-03 .595893459009E-03 .607883421992E-03 .619976866801E-03 |
| 1792 |
.632165164639E-03 .644438914030E-03 .656787899864E-03 .669201051150E-03 .681666397516E-03 |
| 1793 |
.694171024481E-03 .706701027575E-03 .719241465369E-03 .731776311486E-03 .744288405714E-03 |
| 1794 |
.756759404323E-03 .769169729723E-03 .781498519622E-03 .793723575862E-03 .805821313142E-03 |
| 1795 |
.817766707847E-03 .829533247255E-03 .841092879403E-03 .852415963946E-03 .863471224358E-03 |
| 1796 |
.874225701889E-03 .884644711705E-03 .894691801709E-03 .904328714558E-03 .913515353482E-03 |
| 1797 |
.922209752518E-03 .930368051858E-03 .937944479064E-03 .944891336947E-03 .951158998991E-03 |
| 1798 |
.956695913264E-03 .961448615807E-03 .965361754596E-03 .968378125200E-03 .970438719382E-03 |
| 1799 |
.971482787908E-03 .971447918940E-03 .970270133445E-03 .967883999127E-03 .964222764436E-03 |
| 1800 |
.959218514309E-03 .952802349306E-03 .944904589898E-03 .935455007672E-03 .924383085268E-03 |
| 1801 |
.911618306866E-03 .897090481065E-03 .880730097942E-03 .862468722099E-03 .842239423385E-03 |
| 1802 |
.819977246950E-03 .795619724133E-03 .769107425557E-03 .740384557618E-03 .709399603304E-03 |
| 1803 |
.676106008048E-03 .640462910950E-03 .602435921338E-03 .561997940227E-03 .519130025668E-03 |
| 1804 |
.473822300462E-03 .426074900025E-03 .375898957461E-03 .323317622101E-03 .268367106836E-03 |
| 1805 |
.211097758605E-03 .151575145345E-03 .898811515478E-04 .261150734478E-04 -.396052963542E-04 |
| 1806 |
-.107142606212E-03 -.176338917259E-03 -.247014723494E-03 -.318968035169E-03 -.391973541929E-03 |
| 1807 |
-.465781873819E-03 -.540118980300E-03 -.614685649536E-03 -.689157192621E-03 -.763183319503E-03 |
| 1808 |
-.836388235146E-03 -.908370985608E-03 -.978706084317E-03 -.104694444878E-02 -.111261467742E-02 |
| 1809 |
-.117522469527E-02 -.123426379573E-02 -.128920510394E-02 -.133950848462E-02 -.138462391499E-02 |
| 1810 |
-.142399533963E-02 -.145706502029E-02 -.148327838870E-02 -.150208940450E-02 -.151296641380E-02 |
| 1811 |
-.151539849561E-02 -.150890227493E-02 -.149302917073E-02 -.146737303660E-02 -.143157813927E-02 |
| 1812 |
-.138534740771E-02 -.132845087155E-02 -.126073419354E-02 -.118212718602E-02 -.109265218684E-02 |
| 1813 |
-.992432155682E-03 -.881698338308E-03 -.760797333527E-03 -.630197386728E-03 -.490493725091E-03 |
| 1814 |
-.342412743501E-03 -.186814847928E-03 -.246957657313E-04 .142813858835E-03 .314450749789E-03 |
| 1815 |
.488823309202E-03 .664418070748E-03 .839608393842E-03 .101266547990E-02 .118177178429E-02 |
| 1816 |
.134503689010E-02 .150051588957E-02 .164623026656E-02 .178019117806E-02 .190042490827E-02 |
| 1817 |
.200500016080E-02 .209205679207E-02 .215983555824E-02 .220670841194E-02 .223120883111E-02 |
| 1818 |
.223206160670E-02 .220821147712E-02 .215884998025E-02 .208343989330E-02 .198173664086E-02 |
| 1819 |
.185380607075E-02 .170003802795E-02 .152115520338E-02 .131821680015E-02 .109261664915E-02 |
| 1820 |
.846075520576E-03 .580627517543E-03 .298600598561E-03 .259145268025E-05 -.304564854690E-03 |
| 1821 |
-.619829814491E-03 -.940000019377E-03 -.126174793039E-02 -.158166303056E-02 -.189629138781E-02 |
| 1822 |
-.220217227617E-02 -.249587209671E-02 -.277401742246E-02 -.303332810422E-02 -.327064745369E-02 |
| 1823 |
-.348296415491E-02 -.366742287758E-02 -.382132395929E-02 -.394211361681E-02 -.402736563823E-02 |
| 1824 |
-.407475493082E-02 -.408202329311E-02 -.404693833816E-02 -.396724730553E-02 -.384062823321E-02 |
| 1825 |
-.366464146996E-02 -.343668480013E-02 -.315395558531E-02 -.281342334740E-02 -.241181613386E-02 |
| 1826 |
-.194562387834E-02 -.141112171505E-02 -.804415952738E-03 -.121515075235E-03 .641572241279E-03 |
| 1827 |
.148871051314E-02 .242348108781E-02 .344899528036E-02 .456767651643E-02 .578101107777E-02 |
| 1828 |
.708926713049E-02 .849118234302E-02 .998362232301E-02 .115612155336E-01 .132159740165E-01 |
| 1829 |
.149369110875E-01 .167096652334E-01 .185161356145E-01 .203341310414E-01 .221370332623E-01 |
| 1830 |
.238934761000E-01 .255670429427E-01 .271159854355E-01 .284929659639E-01 .296448261290E-01 |
| 1831 |
.305123832025E-01 .310302566061E-01 .311267267546E-01 .307236289689E-01 .297362858793E-01 |
| 1832 |
.280734820389E-01 .256374856179E-01 .223241222738E-01 .180229081144E-01 .126172489166E-01 |
| 1833 |
.598471442572E-02 -.200260299111E-02 -.114776340912E-01 -.225777717511E-01 -.354441914234E-01 |
| 1834 |
-.502210411722E-01 -.670544903457E-01 -.860916273469E-01 -.107479199193E+00 -.131362188635E+00 |
| 1835 |
-.157882228456E+00 -.187175857055E+00 -.219372624576E+00 -.254593064275E+00 -.292946549488E+00 |
| 1836 |
-.334529061939E+00 |
| 1837 |
pseudo wavefunction |
| 1838 |
.227533763851E-08 .242572016231E-08 .258604182800E-08 .275695953736E-08 .293917360834E-08 |
| 1839 |
.313343064461E-08 .334052659468E-08 .356131001319E-08 .379668553781E-08 .404761759589E-08 |
| 1840 |
.431513435610E-08 .460033194125E-08 .490437891954E-08 .522852109268E-08 .557408660039E-08 |
| 1841 |
.594249136235E-08 .633524487978E-08 .675395642049E-08 .720034161266E-08 .767622947448E-08 |
| 1842 |
.818356990838E-08 .872444169051E-08 .930106098839E-08 .991579044140E-08 .105711488415E-07 |
| 1843 |
.112698214535E-07 .120146710182E-07 .128087494816E-07 .136553105003E-07 .145578227729E-07 |
| 1844 |
.155199842528E-07 .165457373000E-07 .176392848347E-07 .188051075583E-07 .200479823127E-07 |
| 1845 |
.213730016528E-07 .227855947130E-07 .242915494524E-07 .258970363704E-07 .276086337897E-07 |
| 1846 |
.294333548107E-07 .313786760466E-07 .334525682584E-07 .356635290144E-07 .380206175078E-07 |
| 1847 |
.405334916765E-07 .432124477753E-07 .460684625639E-07 .491132382836E-07 .523592506054E-07 |
| 1848 |
.558197997489E-07 .595090649784E-07 .634421627010E-07 .676352084056E-07 .721053826940E-07 |
| 1849 |
.768710016774E-07 .819515920255E-07 .873679709751E-07 .931423316275E-07 .992983338828E-07 |
| 1850 |
.105861201385E-06 .112857824874E-06 .120316872369E-06 .128268906633E-06 .136746510401E-06 |
| 1851 |
.145784419891E-06 .155419667126E-06 .165691731677E-06 .176642702425E-06 .188317450019E-06 |
| 1852 |
.200763810734E-06 .214032782474E-06 .228178733738E-06 .243259626391E-06 .259337253162E-06 |
| 1853 |
.276477490839E-06 .294750570195E-06 .314231363764E-06 .334999692625E-06 .357140653472E-06 |
| 1854 |
.380744967298E-06 .405909351125E-06 .432736914307E-06 .461337581022E-06 .491828540689E-06 |
| 1855 |
.524334728163E-06 .558989335659E-06 .595934358517E-06 .635321177043E-06 .677311176802E-06 |
| 1856 |
.722076409912E-06 .769800300053E-06 .820678394067E-06 .874919163243E-06 .932744857564E-06 |
| 1857 |
.994392416419E-06 .106011443951E-05 .113018022194E-05 .120487685770E-05 .128451041617E-05 |
| 1858 |
.136940719625E-05 .145991506353E-05 .155640487580E-05 .165927200273E-05 .176893794611E-05 |
| 1859 |
.188585206714E-05 .201049342787E-05 .214337275445E-05 .228503453010E-05 .243605922646E-05 |
| 1860 |
.259706568248E-05 .276871364051E-05 .295170645015E-05 .314679395074E-05 .335477554456E-05 |
| 1861 |
.357650347308E-05 .381288630989E-05 .406489268461E-05 .433355525295E-05 .461997492929E-05 |
| 1862 |
.492532539922E-05 .525085793034E-05 .559790650127E-05 .596789326984E-05 .636233440288E-05 |
| 1863 |
.678284629158E-05 .723115217789E-05 .770908921925E-05 .821861602054E-05 .876182066436E-05 |
| 1864 |
.934092927238E-05 .995831513317E-05 .106165084339E-04 .113182066359E-04 .120662855368E-04 |
| 1865 |
.128638110646E-04 .137140518523E-04 .146204926450E-04 .155868485937E-04 .166170804966E-04 |
| 1866 |
.177154110479E-04 .188863421635E-04 .201346734538E-04 .214655219196E-04 .228843429529E-04 |
| 1867 |
.243969527288E-04 .260095520808E-04 .277287519585E-04 .295616005727E-04 .315156123396E-04 |
| 1868 |
.335987987440E-04 .358197012500E-04 .381874263940E-04 .407116832063E-04 .434028231160E-04 |
| 1869 |
.462718825054E-04 .493306280895E-04 .525916053098E-04 .560681899438E-04 .597746431449E-04 |
| 1870 |
.637261701413E-04 .679389828398E-04 .724303665962E-04 .772187514294E-04 .823237879806E-04 |
| 1871 |
.877664285330E-04 .935690134342E-04 .997553632840E-04 .106350877277E-03 .113382638111E-03 |
| 1872 |
.120879523914E-03 .128872327652E-03 .137393884535E-03 .146479207954E-03 .156165634542E-03 |
| 1873 |
.166492978964E-03 .177503699110E-03 .189243072400E-03 .201759383961E-03 .215104127486E-03 |
| 1874 |
.229332219652E-03 .244502229038E-03 .260676620527E-03 .277922016287E-03 .296309474458E-03 |
| 1875 |
.315914786810E-03 .336818796670E-03 .359107738558E-03 .382873601052E-03 .408214514536E-03 |
| 1876 |
.435235165572E-03 .464047239827E-03 .494769895568E-03 .527530269946E-03 .562464020413E-03 |
| 1877 |
.599715903856E-03 .639440396161E-03 .681802355211E-03 .726977730497E-03 .775154322810E-03 |
| 1878 |
.826532597764E-03 .881326557181E-03 .939764672726E-03 .100209088654E-02 .106856568398E-02 |
| 1879 |
.113946724411E-02 .121509267393E-02 .129575933290E-02 .138180625504E-02 .147359567622E-02 |
| 1880 |
.157151467522E-02 .167597693773E-02 .178742465342E-02 .190633055703E-02 .203320012545E-02 |
| 1881 |
.216857394401E-02 .231303025633E-02 .246718771334E-02 .263170833888E-02 .280730073076E-02 |
| 1882 |
.299472351790E-02 .319478909656E-02 .340836767063E-02 .363639162353E-02 .387986025216E-02 |
| 1883 |
.413984489628E-02 .441749450020E-02 .471404164734E-02 .503080911265E-02 .536921698208E-02 |
| 1884 |
.573079039397E-02 .611716796250E-02 .653011094982E-02 .697151326054E-02 .744341233969E-02 |
| 1885 |
.794800106417E-02 .848764072675E-02 .906487522231E-02 .968244655731E-02 .103433118159E-01 |
| 1886 |
.110506617306E-01 .118079410187E-01 .126188706653E-01 .134874723475E-01 .144180952188E-01 |
| 1887 |
.154154452889E-01 .164846176609E-01 .176311319101E-01 .188609709161E-01 .201806234864E-01 |
| 1888 |
.215971311394E-01 .231181394461E-01 .247519543597E-01 .265076039945E-01 .283949063484E-01 |
| 1889 |
.304245434924E-01 .326081427809E-01 .349583656614E-01 .374890046830E-01 .402150893179E-01 |
| 1890 |
.431530012117E-01 .463205994733E-01 .497373565848E-01 .534245054709E-01 .574051981872E-01 |
| 1891 |
.617046765834E-01 .663504551453E-01 .713725160190E-01 .768035159572E-01 .826790045885E-01 |
| 1892 |
.890376529834E-01 .959214909553E-01 .103376150877E+00 .111451114987E+00 .120199962194E+00 |
| 1893 |
.129680609215E+00 .139955539528E+00 .151092011960E+00 .163162238921E+00 .176243522049E+00 |
| 1894 |
.190418330651E+00 .205774305520E+00 .222404167669E+00 .240405508212E+00 .259880432091E+00 |
| 1895 |
.280935024671E+00 .303678606600E+00 .328222738802E+00 .354679936492E+00 .383162048747E+00 |
| 1896 |
.413778259142E+00 .446632663542E+00 .481821384186E+00 .519429185380E+00 .559525566374E+00 |
| 1897 |
.602160322402E+00 .647358586454E+00 .695115393374E+00 .745389845285E+00 .798099004150E+00 |
| 1898 |
.853111693905E+00 .910242460882E+00 .969246016115E+00 .102981256403E+01 .109156450449E+01 |
| 1899 |
.115405507257E+01 .121676954274E+01 .127912965826E+01 .134050193560E+01 .140021041642E+01 |
| 1900 |
.145767836256E+01 |
| 1901 |
ae wavefunction |
| 1902 |
.465681878388E-04 .491295660944E-04 .518265866133E-04 .546667149933E-04 .576578152313E-04 |
| 1903 |
.608081717563E-04 .641265126545E-04 .676220341508E-04 .713044264143E-04 .751839007648E-04 |
| 1904 |
.792712183553E-04 .835777204148E-04 .881153601361E-04 .928967363016E-04 .979351287422E-04 |
| 1905 |
.103244535732E-03 .108839713425E-03 .114736217445E-03 .120950446753E-03 .127499689913E-03 |
| 1906 |
.134402173886E-03 .141677115497E-03 .149344775722E-03 .157426516942E-03 .165944863334E-03 |
| 1907 |
.174923564566E-03 .184387662978E-03 .194363564440E-03 .204879113082E-03 .215963670110E-03 |
| 1908 |
.227648196927E-03 .239965342792E-03 .252949537262E-03 .266637087669E-03 .281066281908E-03 |
| 1909 |
.296277496811E-03 .312313312417E-03 .329218632433E-03 .347040811226E-03 .365829787690E-03 |
| 1910 |
.385638226335E-03 .406521665989E-03 .428538676504E-03 .451751023870E-03 .476223844188E-03 |
| 1911 |
.502025826936E-03 .529229408009E-03 .557910973030E-03 .588151071431E-03 .620034641864E-03 |
| 1912 |
.653651249474E-03 .689095335639E-03 .726466480757E-03 .765869680733E-03 .807415637789E-03 |
| 1913 |
.851221066295E-03 .897409014297E-03 .946109201475E-03 .997458374262E-03 .105160067890E-02 |
| 1914 |
.110868805320E-02 .116888063784E-02 .123234720796E-02 .129926562601E-02 .136982331653E-02 |
| 1915 |
.144421776396E-02 .152265703410E-02 .160536032034E-02 .169255851537E-02 .178449480936E-02 |
| 1916 |
.188142531543E-02 .198361972336E-02 .209136198221E-02 .220495101294E-02 .232470145160E-02 |
| 1917 |
.245094442384E-02 .258402835167E-02 .272431979279E-02 .287220431324E-02 .302808739376E-02 |
| 1918 |
.319239537026E-02 .336557640856E-02 .354810151354E-02 .374046557258E-02 .394318843310E-02 |
| 1919 |
.415681601360E-02 .438192144759E-02 .461910625934E-02 .486900157017E-02 .513226933369E-02 |
| 1920 |
.540960359788E-02 .570173179163E-02 .600941603275E-02 .633345445414E-02 .667468254395E-02 |
| 1921 |
.703397449518E-02 .741224455932E-02 .781044839798E-02 .822958442547E-02 .867069513453E-02 |
| 1922 |
.913486839631E-02 .962323872466E-02 .101369884936E-01 .106773490953E-01 .112456020256E-01 |
| 1923 |
.118430798804E-01 .124711672472E-01 .131313014729E-01 .138249732863E-01 .145537272548E-01 |
| 1924 |
.153191620488E-01 .161229304874E-01 .169667393372E-01 .178523488305E-01 .187815718700E-01 |
| 1925 |
.197562728813E-01 .207783662742E-01 .218498144678E-01 .229726254338E-01 .241488497075E-01 |
| 1926 |
.253805768127E-01 .266699310440E-01 .280190665447E-01 .294301616172E-01 .309054121960E-01 |
| 1927 |
.324470244132E-01 .340572061797E-01 .357381577036E-01 .374920608632E-01 .393210673496E-01 |
| 1928 |
.412272854891E-01 .432127656568E-01 .452794841860E-01 .474293256811E-01 .496640636387E-01 |
| 1929 |
.519853392805E-01 .543946385072E-01 .568932668790E-01 .594823225368E-01 .621626669807E-01 |
| 1930 |
.649348936289E-01 .677992940919E-01 .707558221023E-01 .738040550608E-01 .769431531682E-01 |
| 1931 |
.801718161380E-01 .834882375018E-01 .868900565505E-01 .903743079796E-01 .939373693453E-01 |
| 1932 |
.975749064743E-01 .101281817014E+00 .105052172360E+00 .108879158252E+00 .112755014376E+00 |
| 1933 |
.116670973398E+00 .120617199881E+00 .124582729649E+00 .128555410191E+00 .132521842794E+00 |
| 1934 |
.136467327160E+00 .140375809345E+00 .144229833942E+00 .148010501562E+00 .151697432779E+00 |
| 1935 |
.155268739884E+00 .158701007981E+00 .161969287126E+00 .165047097398E+00 .167906448922E+00 |
| 1936 |
.170517878943E+00 .172850508103E+00 .174872118038E+00 .176549252419E+00 .177847343481E+00 |
| 1937 |
.178730866017E+00 .179163520745E+00 .179108448834E+00 .178528479285E+00 .177386410688E+00 |
| 1938 |
.175645328699E+00 .173268960336E+00 .170222065853E+00 .166470868580E+00 .161983522604E+00 |
| 1939 |
.156730617624E+00 .150685719652E+00 .143825945458E+00 .136132567850E+00 .127591647906E+00 |
| 1940 |
.118194689282E+00 .107939308596E+00 .968299147296E-01 .848783886353E-01 .721047540127E-01 |
| 1941 |
.585378278983E-01 .442158389790E-01 .291870002113E-01 .135100211977E-01 -.274545523255E-02 |
| 1942 |
-.194985085982E-01 -.366567053813E-01 -.541159896908E-01 -.717607166131E-01 -.894638439967E-01 |
| 1943 |
-.107087297181E+00 -.124482520000E+00 -.141491224794E+00 -.157946354484E+00 -.173673270714E+00 |
| 1944 |
-.188491182736E+00 -.202214830347E+00 -.214656428911E+00 -.225627874362E+00 -.234943193441E+00 |
| 1945 |
-.242421214515E+00 -.247888429642E+00 -.251182016511E+00 -.252152985029E+00 -.250669406546E+00 |
| 1946 |
-.246619676159E+00 -.239915752191E+00 -.230496312287E+00 -.218329761674E+00 -.203417025598E+00 |
| 1947 |
-.185794054472E+00 -.165533967451E+00 -.142748758423E+00 -.117590488487E+00 -.902518914106E-01 |
| 1948 |
-.609663238312E-01 -.300070002108E-01 .231453624548E-02 .356507414718E-01 .696212143521E-01 |
| 1949 |
.103816649340E+00 .137803554941E+00 .171129646013E+00 .203329768930E+00 .233932207643E+00 |
| 1950 |
.262465294098E+00 .288464416037E+00 .311479650198E+00 .331084079378E+00 .346882371027E+00 |
| 1951 |
.358518952496E+00 .365685402111E+00 .368127024844E+00 .365648647704E+00 .358119571496E+00 |
| 1952 |
.345477530522E+00 .327731500985E+00 .304963249858E+00 .277327588632E+00 .245051356570E+00 |
| 1953 |
.208431194407E+00 .167830187008E+00 .123673460569E+00 .764428230990E-01 .266705393359E-01 |
| 1954 |
-.250676646994E-01 -.781602657695E-01 -.131968164740E+00 -.185833341800E+00 -.239087809208E+00 |
| 1955 |
-.291062712423E+00 -.341097418087E+00 -.388548413922E+00 -.432797829891E+00 -.473261378886E+00 |
| 1956 |
-.509395526555E+00 -.540703764307E+00 -.566741984980E+00 -.587123104449E+00 -.601521133526E+00 |
| 1957 |
-.609674811588E+00 -.611390695651E+00 -.606545417805E+00 -.595086793852E+00 -.577033579062E+00 |
| 1958 |
-.552473822906E+00 -.521561891560E+00 -.484514290113E+00 -.441604447148E+00 -.393156643507E+00 |
| 1959 |
-.339539281751E+00 -.281157701837E+00 -.218446749208E+00 -.151863292329E+00 -.818788719048E-01 |
| 1960 |
-.897263925134E-02 .663752810308E-01 .143689898151E+00 .222506850836E+00 .302377239872E+00 |
| 1961 |
.382871767677E+00 .463584180186E+00 .544134029344E+00 .624168791576E+00 .703365396380E+00 |
| 1962 |
.781431233295E+00 .858104716523E+00 .933155494635E+00 .100638439729E+01 .107762321171E+01 |
| 1963 |
.114673437936E+01 .121361069741E+01 .127817510230E+01 .134038060236E+01 .140021041642E+01 |
| 1964 |
.145767836256E+01 |
| 1965 |
pseudo wavefunction |
| 1966 |
.331147670034E-08 .353034013832E-08 .376366878585E-08 .401241868329E-08 .427760905805E-08 |
| 1967 |
.456032650069E-08 .486172941715E-08 .518305277520E-08 .552561316459E-08 .589081419164E-08 |
| 1968 |
.628015223038E-08 .669522255377E-08 .713772587021E-08 .760947529197E-08 .811240376425E-08 |
| 1969 |
.864857198525E-08 .922017684964E-08 .982956045011E-08 .104792196739E-07 .111718164334E-07 |
| 1970 |
.119101885734E-07 .126973614984E-07 .135365605692E-07 .144312243184E-07 .153850185396E-07 |
| 1971 |
.164018513073E-07 .174858889900E-07 .186415733216E-07 .198736396006E-07 .211871360929E-07 |
| 1972 |
.225874447163E-07 .240803030924E-07 .256718280558E-07 .273685407175E-07 .291773931843E-07 |
| 1973 |
.311057970442E-07 .331616537348E-07 .353533869185E-07 .376899769978E-07 .401809979113E-07 |
| 1974 |
.428366563620E-07 .456678336382E-07 .486861301987E-07 .519039132038E-07 .553343671893E-07 |
| 1975 |
.589915480879E-07 .628904408225E-07 .670470207053E-07 .714783188944E-07 .762024921777E-07 |
| 1976 |
.812388973685E-07 .866081706172E-07 .923323119666E-07 .984347754942E-07 .104940565413E-06 |
| 1977 |
.111876338522E-06 .119270513434E-06 .127153387012E-06 .135557258510E-06 .144516561917E-06 |
| 1978 |
.154068007044E-06 .164250729939E-06 .175106453244E-06 .186679657146E-06 .199017761633E-06 |
| 1979 |
.212171320788E-06 .226194229933E-06 .241143946454E-06 .257081725228E-06 .274072869610E-06 |
| 1980 |
.292186999002E-06 .311498334112E-06 .332086001062E-06 .354034355600E-06 .377433328738E-06 |
| 1981 |
.402378795229E-06 .428972966404E-06 .457324808968E-06 .487550491480E-06 .519773860334E-06 |
| 1982 |
.554126947205E-06 .590750510030E-06 .629794609742E-06 .671419225127E-06 .715794908309E-06 |
| 1983 |
.763103483564E-06 .813538792318E-06 .867307487380E-06 .924629879669E-06 .985740840902E-06 |
| 1984 |
.105089076594E-05 .112034659875E-05 .119439292614E-05 .127333314380E-05 .135749069944E-05 |
| 1985 |
.144721041803E-05 .154285991466E-05 .164483110074E-05 .175354178982E-05 .186943740946E-05 |
| 1986 |
.199299282627E-05 .212471429157E-05 .226514151563E-05 .241484987898E-05 .257445278991E-05 |
| 1987 |
.274460419771E-05 .292600127206E-05 .311938725945E-05 .332555452845E-05 .354534781611E-05 |
| 1988 |
.377966768904E-05 .402947423315E-05 .429579098720E-05 .457970913640E-05 .488239198308E-05 |
| 1989 |
.520507971280E-05 .554909447545E-05 .591584580215E-05 .630683638009E-05 .672366820897E-05 |
| 1990 |
.716804916434E-05 .764179999459E-05 .814686178035E-05 .868530388681E-05 .925933244149E-05 |
| 1991 |
.987129937228E-05 .105237120426E-04 .112192435234E-04 .119607435436E-04 .127512501643E-04 |
| 1992 |
.135940022244E-04 .144924526084E-04 .154502823909E-04 .164714159153E-04 .175600368694E-04 |
| 1993 |
.187206054224E-04 .199578764946E-04 .212769192335E-04 .226831377769E-04 .241822933875E-04 |
| 1994 |
.257805280499E-04 .274843896257E-04 .293008586705E-04 .312373770225E-04 .333018782788E-04 |
| 1995 |
.355028202843E-04 .378492197669E-04 .403506892595E-04 .430174764599E-04 .458605061898E-04 |
| 1996 |
.488914251245E-04 .521226494752E-04 .555674158191E-04 .592398352856E-04 .631549513179E-04 |
| 1997 |
.673288012483E-04 .717784819356E-04 .765222197350E-04 .815794450839E-04 .869708720089E-04 |
| 1998 |
.927185828767E-04 .988461187359E-04 .105378575616E-03 .112342707175E-03 .119767034119E-03 |
| 1999 |
.127681960827E-03 .136119899668E-03 .145115403507E-03 .154705306941E-03 .164928876838E-03 |
| 2000 |
.175827972789E-03 .187447218118E-03 .199834182158E-03 .213039574510E-03 .227117452086E-03 |
| 2001 |
.242125439764E-03 .258124965546E-03 .275181511176E-03 .293364879209E-03 .312749477619E-03 |
| 2002 |
.333414623095E-03 .355444864213E-03 .378930325811E-03 .403967075929E-03 .430657516767E-03 |
| 2003 |
.459110801245E-03 .489443276800E-03 .521778958186E-03 .556250031154E-03 .592997389003E-03 |
| 2004 |
.632171204097E-03 .673931536619E-03 .718448982930E-03 .765905366066E-03 .816494471062E-03 |
| 2005 |
.870422827955E-03 .927910545478E-03 .989192198663E-03 .105451777374E-02 .112415367392E-02 |
| 2006 |
.119838378989E-02 .127751063904E-02 .136185657763E-02 .145176509050E-02 .154760216297E-02 |
| 2007 |
.164975773999E-02 .175864727782E-02 .187471339379E-02 .199842761993E-02 .213029226677E-02 |
| 2008 |
.227084240357E-02 .242064796179E-02 .258031596889E-02 .275049291978E-02 .293186729356E-02 |
| 2009 |
.312517222349E-02 .333118832846E-02 .355074671441E-02 .378473215441E-02 .403408645633E-02 |
| 2010 |
.429981202712E-02 .458297564294E-02 .488471243421E-02 .520623009471E-02 .554881332368E-02 |
| 2011 |
.591382850940E-02 .630272866248E-02 .671705860601E-02 .715846042928E-02 .762867920997E-02 |
| 2012 |
.812956900857E-02 .866309913644E-02 .923136069661E-02 .983657339296E-02 .104810925999E-01 |
| 2013 |
.111674166795E-01 .118981945277E-01 .126762333235E-01 .135045064478E-01 .143861615263E-01 |
| 2014 |
.153245285419E-01 .163231279426E-01 .173856786593E-01 .185161059218E-01 .197185487394E-01 |
| 2015 |
.209973668817E-01 .223571471619E-01 .238027087797E-01 .253391074365E-01 .269716378719E-01 |
| 2016 |
.287058344069E-01 .305474689928E-01 .325025461724E-01 .345772942455E-01 .367781517967E-01 |
| 2017 |
.391117485888E-01 .415848796395E-01 .442044710855E-01 .469775361839E-01 .499111195095E-01 |
| 2018 |
.530122270593E-01 .562877395806E-01 .597443059716E-01 .633882130701E-01 .672252275238E-01 |
| 2019 |
.712604047267E-01 .754978589851E-01 .799404881518E-01 .845896449027E-01 .894447456417E-01 |
| 2020 |
.945028066786E-01 .997578958365E-01 .105200486002E+00 .110816695343E+00 .116587396995E+00 |
| 2021 |
.122487178978E+00 .128483133024E+00 .134533448854E+00 .140585788480E+00 .146575413263E+00 |
| 2022 |
.152423035061E+00 .158032362024E+00 .163287309685E+00 .168048849420E+00 .172151469537E+00 |
| 2023 |
.175399229791E+00 .177561398725E+00 .178367675800E+00 .177503017760E+00 .174602112202E+00 |
| 2024 |
.169243572283E+00 .160943966100E+00 .149151844077E+00 .133241988958E+00 .112510186821E+00 |
| 2025 |
.861689047238E-01 .533443609875E-01 .130755866890E-01 -.356838010120E-01 -.940602664982E-01 |
| 2026 |
-.163250493546E+00 -.244505913599E+00 -.339110465606E+00 -.448350400173E+00 -.573474989044E+00 |
| 2027 |
-.715647157054E+00 -.875883353486E+00 -.105498246092E+01 -.125344423883E+01 -.147137874513E+01 |
| 2028 |
-.170855080006E+01 |
| 2029 |
ae wavefunction |
| 2030 |
-.167527481276E-04 -.176741929867E-04 -.186444346902E-04 -.196661589572E-04 -.207421948293E-04 |
| 2031 |
-.218755225976E-04 -.230692821574E-04 -.243267818155E-04 -.256515075739E-04 -.270471329168E-04 |
| 2032 |
-.285175291294E-04 -.300667761775E-04 -.316991741793E-04 -.334192555019E-04 -.352317975180E-04 |
| 2033 |
-.371418360579E-04 -.391546795975E-04 -.412759242199E-04 -.435114693968E-04 -.458675346318E-04 |
| 2034 |
-.483506770150E-04 -.509678097382E-04 -.537262216237E-04 -.566335977222E-04 -.596980410381E-04 |
| 2035 |
-.629280954439E-04 -.663327698488E-04 -.699215636895E-04 -.737044938142E-04 -.776921228376E-04 |
| 2036 |
-.818955890432E-04 -.863266379191E-04 -.909976554134E-04 -.959217030029E-04 -.101112554670E-03 |
| 2037 |
-.106584735894E-03 -.112353564753E-03 -.118435195270E-03 -.124846663090E-03 -.131605933644E-03 |
| 2038 |
-.138731952906E-03 -.146244700889E-03 -.154165248020E-03 -.162515814544E-03 -.171319833109E-03 |
| 2039 |
-.180602014697E-03 -.190388418077E-03 -.200706522942E-03 -.211585306931E-03 -.223055326722E-03 |
| 2040 |
-.235148803396E-03 -.247899712277E-03 -.261343877486E-03 -.275519071398E-03 -.290465119277E-03 |
| 2041 |
-.306224009298E-03 -.322840008223E-03 -.340359782992E-03 -.358832528482E-03 -.378310101725E-03 |
| 2042 |
-.398847162851E-03 -.420501323063E-03 -.443333299923E-03 -.467407080266E-03 -.492790091034E-03 |
| 2043 |
-.519553378361E-03 -.547771795208E-03 -.577524197875E-03 -.608893651707E-03 -.641967646315E-03 |
| 2044 |
-.676838320621E-03 -.713602698051E-03 -.752362932176E-03 -.793226563088E-03 -.836306784818E-03 |
| 2045 |
-.881722724040E-03 -.929599730331E-03 -.980069678202E-03 -.103327128110E-02 -.108935041758E-02 |
| 2046 |
-.114846046967E-02 -.121076267369E-02 -.127642648337E-02 -.134562994539E-02 -.141856008713E-02 |
| 2047 |
-.149541331651E-02 -.157639583372E-02 -.166172405437E-02 -.175162504367E-02 -.184633696103E-02 |
| 2048 |
-.194610951434E-02 -.205120442313E-02 -.216189588940E-02 -.227847107509E-02 -.240123058457E-02 |
| 2049 |
-.253048895060E-02 -.266657512181E-02 -.280983294943E-02 -.296062167090E-02 -.311931638745E-02 |
| 2050 |
-.328630853249E-02 -.346200632722E-02 -.364683521951E-02 -.384123830151E-02 -.404567670112E-02 |
| 2051 |
-.426062994174E-02 -.448659626434E-02 -.472409290498E-02 -.497365632062E-02 -.523584235494E-02 |
| 2052 |
-.551122633554E-02 -.580040309262E-02 -.610398688881E-02 -.642261124865E-02 -.675692867528E-02 |
| 2053 |
-.710761024091E-02 -.747534503672E-02 -.786083946630E-02 -.826481636614E-02 -.868801393501E-02 |
| 2054 |
-.913118445302E-02 -.959509276987E-02 -.100805145405E-01 -.105882341849E-01 -.111190425476E-01 |
| 2055 |
-.116737342313E-01 -.122531045772E-01 -.128579462637E-01 -.134890454941E-01 -.141471777425E-01 |
| 2056 |
-.148331030262E-01 -.155475606715E-01 -.162912635409E-01 -.170648916862E-01 -.178690853947E-01 |
| 2057 |
-.187044375937E-01 -.195714855805E-01 -.204707020442E-01 -.214024853485E-01 -.223671490449E-01 |
| 2058 |
-.233649105905E-01 -.243958792446E-01 -.254600431251E-01 -.265572554085E-01 -.276872196644E-01 |
| 2059 |
-.288494743211E-01 -.300433762678E-01 -.312680836082E-01 -.325225375907E-01 -.338054437514E-01 |
| 2060 |
-.351152523245E-01 -.364501379836E-01 -.378079790018E-01 -.391863359305E-01 -.405824299254E-01 |
| 2061 |
-.419931208617E-01 -.434148854114E-01 -.448437952745E-01 -.462754957829E-01 -.477051851218E-01 |
| 2062 |
-.491275944367E-01 -.505369691272E-01 -.519270516581E-01 -.532910662611E-01 -.546217059476E-01 |
| 2063 |
-.559111223112E-01 -.571509186666E-01 -.583321471344E-01 -.594453103477E-01 -.604803684984E-01 |
| 2064 |
-.614267524786E-01 -.622733838771E-01 -.630087025965E-01 -.636207028389E-01 -.640969781924E-01 |
| 2065 |
-.644247765212E-01 -.645910653366E-01 -.645826082845E-01 -.643860533464E-01 -.639880332961E-01 |
| 2066 |
-.633752788855E-01 -.625347451443E-01 -.614537510617E-01 -.601201327776E-01 -.585224102385E-01 |
| 2067 |
-.566499670703E-01 -.544932431868E-01 -.520439393837E-01 -.492952328706E-01 -.462420023571E-01 |
| 2068 |
-.428810609496E-01 -.392113947228E-01 -.352344044126E-01 -.309541472465E-01 -.263775754793E-01 |
| 2069 |
-.215147677520E-01 -.163791489513E-01 -.109876938195E-01 -.536110916813E-02 .476010793613E-03 |
| 2070 |
.649506178713E-02 .126633453903E-01 .189440295351E-01 .252961594022E-01 .316747242028E-01 |
| 2071 |
.380307848802E-01 .443116673177E-01 .504612254169E-01 .564201785009E-01 .621265278450E-01 |
| 2072 |
.675160573710E-01 .725229230819E-01 .770803339480E-01 .811213233527E-01 .845796057180E-01 |
| 2073 |
.873905093884E-01 .894919752229E-01 .908256096823E-01 .913377798931E-01 .909807358494E-01 |
| 2074 |
.897137423056E-01 .875042007795E-01 .843287405358E-01 .801742562137E-01 .750388686444E-01 |
| 2075 |
.689327843694E-01 .618790285272E-01 .539140253550E-01 .450880007448E-01 .354651823200E-01 |
| 2076 |
.251237745054E-01 .141556891224E-01 .266601610547E-02 -.922777604342E-02 -.213969142167E-01 |
| 2077 |
-.337026647727E-01 -.459979309024E-01 -.581290691766E-01 -.699378735493E-01 -.812636703993E-01 |
| 2078 |
-.919454940877E-01 -.101824372991E+00 -.110745806961E+00 -.118562461933E+00 -.125136938595E+00 |
| 2079 |
-.130344382034E+00 -.134074796703E+00 -.136235056520E+00 -.136750626880E+00 -.135566982298E+00 |
| 2080 |
-.132650673434E+00 -.127989992816E+00 -.121595206669E+00 -.113498346667E+00 -.103752578134E+00 |
| 2081 |
-.924311755562E-01 -.796261437840E-01 -.654465269117E-01 -.500164486322E-01 -.334729291566E-01 |
| 2082 |
-.159635251955E-01 .235615854965E-02 .213250352811E-01 .407791250541E-01 .605541090473E-01 |
| 2083 |
.804877882470E-01 .100422382695E+00 .120206604076E+00 .139697429774E+00 .158761502083E+00 |
| 2084 |
.177276077777E+00 .195129472466E+00 .212220987960E+00 .228460369576E+00 .243766882496E+00 |
| 2085 |
.258068077230E+00 .271298258717E+00 .283396592031E+00 .294304755923E+00 .303964080397E+00 |
| 2086 |
.312312153674E+00 .319278925507E+00 .324782357416E+00 .328723681679E+00 .330982338203E+00 |
| 2087 |
.331410665916E+00 .329828433504E+00 .326017302643E+00 .319715324070E+00 .310611576627E+00 |
| 2088 |
.298341064767E+00 .282480004970E+00 .262541638431E+00 .237972733121E+00 .208150951582E+00 |
| 2089 |
.172383287954E+00 .129905805594E+00 .798849419058E-01 .214206759132E-01 -.464481092030E-01 |
| 2090 |
-.124735703553E+00 -.214498695448E+00 -.316821730393E+00 -.432799481798E+00 -.563514418396E+00 |
| 2091 |
-.710009982166E+00 -.873258846739E+00 -.105412601665E+01 -.125332665962E+01 -.147137874513E+01 |
| 2092 |
-.170855080006E+01 |
| 2093 |
End of Dataset |
| 2094 |
PAW_PBE C 08Apr2002 |
| 2095 |
4.00000000000000000 |
| 2096 |
parameters from PSCTR are: |
| 2097 |
VRHFIN =C: s2p2 |
| 2098 |
LEXCH = PE |
| 2099 |
EATOM = 147.1560 eV, 10.8157 Ry |
| 2100 |
|
| 2101 |
TITEL = PAW_PBE C 08Apr2002 |
| 2102 |
LULTRA = F use ultrasoft PP ? |
| 2103 |
IUNSCR = 0 unscreen: 0-lin 1-nonlin 2-no |
| 2104 |
RPACOR = .000 partial core radius |
| 2105 |
POMASS = 12.011; ZVAL = 4.000 mass and valenz |
| 2106 |
RCORE = 1.500 outmost cutoff radius |
| 2107 |
RWIGS = 1.630; RWIGS = .863 wigner-seitz radius (au A) |
| 2108 |
ENMAX = 400.000; ENMIN = 300.000 eV |
| 2109 |
ICORE = 2 local potential |
| 2110 |
LCOR = T correct aug charges |
| 2111 |
LPAW = T paw PP |
| 2112 |
EAUG = 644.873 |
| 2113 |
DEXC = .000 |
| 2114 |
RMAX = 2.266 core radius for proj-oper |
| 2115 |
RAUG = 1.300 factor for augmentation sphere |
| 2116 |
RDEP = 1.501 radius for radial grids |
| 2117 |
RDEPT = 1.300 core radius for aug-charge |
| 2118 |
QCUT = -5.516; QGAM = 11.032 optimization parameters |
| 2119 |
|
| 2120 |
Description |
| 2121 |
l E TYP RCUT TYP RCUT |
| 2122 |
0 .000 23 1.200 |
| 2123 |
0 .000 23 1.200 |
| 2124 |
1 .000 23 1.500 |
| 2125 |
1 2.500 23 1.500 |
| 2126 |
2 .000 7 1.500 |
| 2127 |
Error from kinetic energy argument (eV) |
| 2128 |
NDATA = 100 |
| 2129 |
STEP = 20.000 1.050 |
| 2130 |
51.3 49.5 48.6 46.8 45.9 44.1 42.4 41.6 |
| 2131 |
39.9 38.2 37.4 35.8 34.3 32.8 31.4 30.0 |
| 2132 |
28.6 27.3 26.1 24.3 23.2 22.1 20.5 19.6 |
| 2133 |
18.6 17.3 16.0 15.2 14.1 13.1 12.1 11.1 |
| 2134 |
10.3 9.47 8.72 8.02 7.15 6.55 5.82 5.31 |
| 2135 |
4.69 4.13 3.63 3.17 2.76 2.40 2.07 1.72 |
| 2136 |
1.47 1.20 .971 .815 .650 .512 .380 .292 |
| 2137 |
.222 .158 .110 .748E-01 .504E-01 .337E-01 .227E-01 .149E-01 |
| 2138 |
.111E-01 .869E-02 .756E-02 .700E-02 .657E-02 .614E-02 .551E-02 .474E-02 |
| 2139 |
.392E-02 .314E-02 .237E-02 .184E-02 .143E-02 .118E-02 .104E-02 .993E-03 |
| 2140 |
.959E-03 .910E-03 .829E-03 .707E-03 .570E-03 .442E-03 .343E-03 .275E-03 |
| 2141 |
.245E-03 .238E-03 .236E-03 .227E-03 .202E-03 .169E-03 .131E-03 .102E-03 |
| 2142 |
.851E-04 .796E-04 .787E-04 .761E-04 |
| 2143 |
END of PSCTR-controll parameters |
| 2144 |
local part |
| 2145 |
124.721915246208937 |
| 2146 |
.20370041E+02 .20367047E+02 .20363065E+02 .20356432E+02 .20347149E+02 |
| 2147 |
.20335222E+02 .20320655E+02 .20303451E+02 .20283615E+02 .20261149E+02 |
| 2148 |
.20236054E+02 .20208330E+02 .20177973E+02 .20144979E+02 .20109342E+02 |
| 2149 |
.20071052E+02 .20030100E+02 .19986473E+02 .19940156E+02 .19891131E+02 |
| 2150 |
.19839380E+02 .19784881E+02 .19727608E+02 .19667533E+02 .19604624E+02 |
| 2151 |
.19538848E+02 .19470165E+02 .19398533E+02 .19323907E+02 .19246238E+02 |
| 2152 |
.19165474E+02 .19081559E+02 .18994436E+02 .18904042E+02 .18810316E+02 |
| 2153 |
.18713191E+02 .18612600E+02 .18508475E+02 .18400746E+02 .18289342E+02 |
| 2154 |
.18174194E+02 .18055230E+02 .17932383E+02 .17805584E+02 .17674770E+02 |
| 2155 |
.17539878E+02 .17400851E+02 .17257634E+02 .17110178E+02 .16958440E+02 |
| 2156 |
.16802384E+02 .16641980E+02 .16477205E+02 .16308046E+02 .16134498E+02 |
| 2157 |
.15956565E+02 .15774263E+02 .15587618E+02 .15396667E+02 .15201458E+02 |
| 2158 |
.15002052E+02 .14798523E+02 .14590957E+02 .14379453E+02 .14164124E+02 |
| 2159 |
.13945096E+02 .13722507E+02 .13496509E+02 .13267269E+02 .13034964E+02 |
| 2160 |
.12799787E+02 .12561941E+02 .12321643E+02 .12079119E+02 .11834608E+02 |
| 2161 |
.11588360E+02 .11340633E+02 .11091695E+02 .10841823E+02 .10591299E+02 |
| 2162 |
.10340414E+02 .10089462E+02 .98387442E+01 .95885628E+01 .93392235E+01 |
| 2163 |
.90910332E+01 .88442985E+01 .85993254E+01 .83564171E+01 .81158740E+01 |
| 2164 |
.78779914E+01 .76430593E+01 .74113606E+01 .71831703E+01 .69587545E+01 |
| 2165 |
.67383690E+01 .65222587E+01 .63106564E+01 .61037820E+01 .59018416E+01 |
| 2166 |
.57050266E+01 .55135133E+01 .53274620E+01 .51470163E+01 .49723031E+01 |
| 2167 |
.48034315E+01 .46404931E+01 .44835614E+01 .43326919E+01 .41879218E+01 |
| 2168 |
.40492700E+01 .39167374E+01 .37903070E+01 .36699442E+01 .35555971E+01 |
| 2169 |
.34471969E+01 .33446585E+01 .32478812E+01 .31567490E+01 .30711318E+01 |
| 2170 |
.29908859E+01 .29158549E+01 .28458705E+01 .27807538E+01 .27203159E+01 |
| 2171 |
.26643592E+01 .26126782E+01 .25650608E+01 .25212894E+01 .24811415E+01 |
| 2172 |
.24443918E+01 .24108123E+01 .23801739E+01 .23522476E+01 .23268052E+01 |
| 2173 |
.23036204E+01 .22824701E+01 .22631352E+01 .22454013E+01 .22290599E+01 |
| 2174 |
.22139090E+01 .21997540E+01 .21864085E+01 .21736945E+01 .21614436E+01 |
| 2175 |
.21494971E+01 .21377065E+01 .21259340E+01 .21140529E+01 .21019474E+01 |
| 2176 |
.20895134E+01 .20766579E+01 .20632996E+01 .20493686E+01 .20348062E+01 |
| 2177 |
.20195649E+01 .20036082E+01 .19869100E+01 .19694548E+01 .19512365E+01 |
| 2178 |
.19322589E+01 .19125343E+01 .18920837E+01 .18709357E+01 .18491262E+01 |
| 2179 |
.18266977E+01 .18036985E+01 .17801824E+01 .17562075E+01 .17318361E+01 |
| 2180 |
.17071335E+01 .16821677E+01 .16570086E+01 .16317270E+01 .16063948E+01 |
| 2181 |
.15810833E+01 .15558635E+01 .15308050E+01 .15059756E+01 .14814409E+01 |
| 2182 |
.14572636E+01 .14335032E+01 .14102158E+01 .13874532E+01 .13652631E+01 |
| 2183 |
.13436886E+01 .13227681E+01 .13025351E+01 .12830178E+01 .12642394E+01 |
| 2184 |
.12462178E+01 .12289658E+01 .12124909E+01 .11967956E+01 .11818774E+01 |
| 2185 |
.11677289E+01 .11543381E+01 .11416888E+01 .11297604E+01 .11185286E+01 |
| 2186 |
.11079653E+01 .10980394E+01 .10887169E+01 .10799609E+01 .10717326E+01 |
| 2187 |
.10639913E+01 .10566949E+01 .10498000E+01 .10432627E+01 .10370386E+01 |
| 2188 |
.10310836E+01 .10253536E+01 .10198054E+01 .10143970E+01 .10090873E+01 |
| 2189 |
.10038372E+01 .99860926E+00 .99336835E+00 .98808151E+00 .98271838E+00 |
| 2190 |
.97725128E+00 .97165536E+00 .96590871E+00 .95999244E+00 .95389076E+00 |
| 2191 |
.94759097E+00 .94108348E+00 .93436178E+00 .92742240E+00 .92026483E+00 |
| 2192 |
.91289140E+00 .90530719E+00 .89751990E+00 .88953964E+00 .88137882E+00 |
| 2193 |
.87305193E+00 .86457534E+00 .85596709E+00 .84724670E+00 .83843488E+00 |
| 2194 |
.82955338E+00 .82062468E+00 .81167180E+00 .80271806E+00 .79378687E+00 |
| 2195 |
.78490146E+00 .77608471E+00 .76735895E+00 .75874572E+00 .75026562E+00 |
| 2196 |
.74193815E+00 .73378153E+00 .72581255E+00 .71804650E+00 .71049701E+00 |
| 2197 |
.70317595E+00 .69609343E+00 .68925768E+00 .68267502E+00 .67634989E+00 |
| 2198 |
.67028480E+00 .66448037E+00 .65893536E+00 .65364672E+00 .64860965E+00 |
| 2199 |
.64381770E+00 .63926282E+00 .63493551E+00 .63082489E+00 .62691886E+00 |
| 2200 |
.62320423E+00 .61966683E+00 .61629170E+00 .61306320E+00 .60996518E+00 |
| 2201 |
.60698114E+00 .60409438E+00 .60128812E+00 .59854571E+00 .59585071E+00 |
| 2202 |
.59318709E+00 .59053928E+00 .58789240E+00 .58523230E+00 .58254567E+00 |
| 2203 |
.57982020E+00 .57704459E+00 .57420869E+00 .57130350E+00 .56832130E+00 |
| 2204 |
.56525559E+00 .56210123E+00 .55885435E+00 .55551241E+00 .55207418E+00 |
| 2205 |
.54853970E+00 .54491030E+00 .54118846E+00 .53737787E+00 .53348329E+00 |
| 2206 |
.52951049E+00 .52546620E+00 .52135799E+00 .51719421E+00 .51298385E+00 |
| 2207 |
.50873649E+00 .50446213E+00 .50017117E+00 .49587419E+00 .49158197E+00 |
| 2208 |
.48730527E+00 .48305479E+00 .47884106E+00 .47467432E+00 .47056446E+00 |
| 2209 |
.46652089E+00 .46255249E+00 .45866752E+00 .45487354E+00 .45117740E+00 |
| 2210 |
.44758510E+00 .44410183E+00 .44073191E+00 .43747871E+00 .43434471E+00 |
| 2211 |
.43133146E+00 .42843957E+00 .42566872E+00 .42301770E+00 .42048440E+00 |
| 2212 |
.41806590E+00 .41575842E+00 .41355747E+00 .41145782E+00 .40945360E+00 |
| 2213 |
.40753838E+00 .40570518E+00 .40394661E+00 .40225491E+00 .40062201E+00 |
| 2214 |
.39903965E+00 .39749944E+00 .39599292E+00 .39451167E+00 .39304737E+00 |
| 2215 |
.39159186E+00 .39013724E+00 .38867593E+00 .38720073E+00 .38570485E+00 |
| 2216 |
.38418204E+00 .38262655E+00 .38103324E+00 .37939758E+00 .37771570E+00 |
| 2217 |
.37598438E+00 .37420112E+00 .37236410E+00 .37047222E+00 .36852508E+00 |
| 2218 |
.36652295E+00 .36446680E+00 .36235825E+00 .36019954E+00 .35799352E+00 |
| 2219 |
.35574356E+00 .35345359E+00 .35112797E+00 .34877149E+00 .34638929E+00 |
| 2220 |
.34398685E+00 .34156984E+00 .33914418E+00 .33671586E+00 .33429099E+00 |
| 2221 |
.33187566E+00 .32947591E+00 .32709768E+00 .32474675E+00 .32242866E+00 |
| 2222 |
.32014872E+00 .31791189E+00 .31572278E+00 .31358561E+00 .31150416E+00 |
| 2223 |
.30948175E+00 .30752120E+00 .30562483E+00 .30379444E+00 .30203129E+00 |
| 2224 |
.30033609E+00 .29870903E+00 .29714975E+00 .29565737E+00 .29423051E+00 |
| 2225 |
.29286727E+00 .29156532E+00 .29032187E+00 .28913372E+00 .28799732E+00 |
| 2226 |
.28690876E+00 .28586386E+00 .28485818E+00 .28388708E+00 .28294575E+00 |
| 2227 |
.28202929E+00 .28113270E+00 .28025099E+00 .27937919E+00 .27851241E+00 |
| 2228 |
.27764585E+00 .27677490E+00 .27589514E+00 .27500240E+00 .27409276E+00 |
| 2229 |
.27316263E+00 .27220876E+00 .27122823E+00 .27021853E+00 .26917754E+00 |
| 2230 |
.26810355E+00 .26699528E+00 .26585187E+00 .26467290E+00 .26345836E+00 |
| 2231 |
.26220868E+00 .26092468E+00 .25960760E+00 .25825903E+00 .25688093E+00 |
| 2232 |
.25547560E+00 .25404564E+00 .25259392E+00 .25112354E+00 .24963785E+00 |
| 2233 |
.24814034E+00 .24663464E+00 .24512451E+00 .24361375E+00 .24210618E+00 |
| 2234 |
.24060565E+00 .23911592E+00 .23764068E+00 .23618352E+00 .23474787E+00 |
| 2235 |
.23333695E+00 .23195382E+00 .23060127E+00 .22928182E+00 .22799774E+00 |
| 2236 |
.22675098E+00 .22554318E+00 .22437564E+00 .22324935E+00 .22216493E+00 |
| 2237 |
.22112269E+00 .22012257E+00 .21916418E+00 .21824680E+00 .21736940E+00 |
| 2238 |
.21653062E+00 .21572884E+00 .21496215E+00 .21422840E+00 .21352520E+00 |
| 2239 |
.21284996E+00 .21219995E+00 .21157224E+00 .21096382E+00 .21037158E+00 |
| 2240 |
.20979234E+00 .20922293E+00 .20866013E+00 .20810079E+00 .20754181E+00 |
| 2241 |
.20698018E+00 .20641301E+00 .20583754E+00 .20525119E+00 .20465158E+00 |
| 2242 |
.20403650E+00 .20340400E+00 .20275237E+00 .20208013E+00 .20138608E+00 |
| 2243 |
.20066930E+00 .19992913E+00 .19916520E+00 .19837742E+00 .19756595E+00 |
| 2244 |
.19673127E+00 .19587408E+00 .19499535E+00 .19409629E+00 .19317833E+00 |
| 2245 |
.19224309E+00 .19129242E+00 .19032831E+00 .18935289E+00 .18836843E+00 |
| 2246 |
.18737730E+00 .18638193E+00 .18538484E+00 .18438853E+00 .18339554E+00 |
| 2247 |
.18240837E+00 .18142949E+00 .18046127E+00 .17950602E+00 .17856592E+00 |
| 2248 |
.17764303E+00 .17673925E+00 .17585631E+00 .17499577E+00 .17415898E+00 |
| 2249 |
.17334710E+00 .17256106E+00 .17180158E+00 .17106916E+00 .17036405E+00 |
| 2250 |
.16968629E+00 .16903568E+00 .16841183E+00 .16781409E+00 .16724163E+00 |
| 2251 |
.16669341E+00 .16616823E+00 .16566469E+00 .16518125E+00 .16471622E+00 |
| 2252 |
.16426780E+00 .16383409E+00 .16341308E+00 .16300273E+00 .16260093E+00 |
| 2253 |
.16220555E+00 .16181447E+00 .16142557E+00 .16103678E+00 .16064608E+00 |
| 2254 |
.16025153E+00 .15985127E+00 .15944356E+00 .15902679E+00 .15859947E+00 |
| 2255 |
.15816027E+00 .15770802E+00 .15724172E+00 .15676055E+00 .15626388E+00 |
| 2256 |
.15575124E+00 .15522237E+00 .15467721E+00 .15411586E+00 .15353862E+00 |
| 2257 |
.15294597E+00 .15233856E+00 .15171720E+00 .15108286E+00 .15043664E+00 |
| 2258 |
.14977979E+00 .14911366E+00 .14843970E+00 .14775946E+00 .14707455E+00 |
| 2259 |
.14638664E+00 .14569742E+00 .14500863E+00 .14432199E+00 .14363921E+00 |
| 2260 |
.14296197E+00 .14229192E+00 .14163061E+00 .14097955E+00 .14034014E+00 |
| 2261 |
.13971369E+00 .13910136E+00 .13850424E+00 .13792323E+00 .13735913E+00 |
| 2262 |
.13681257E+00 .13628404E+00 .13577385E+00 .13528217E+00 .13480903E+00 |
| 2263 |
.13435426E+00 .13391756E+00 .13349850E+00 .13309646E+00 .13271073E+00 |
| 2264 |
.13234044E+00 .13198461E+00 .13164217E+00 .13131192E+00 .13099261E+00 |
| 2265 |
.13068290E+00 .13038140E+00 .13008665E+00 .12979721E+00 .12951159E+00 |
| 2266 |
.12922830E+00 .12894587E+00 .12866286E+00 .12837787E+00 .12808956E+00 |
| 2267 |
.12779664E+00 .12749792E+00 .12719228E+00 .12687871E+00 .12655630E+00 |
| 2268 |
.12622426E+00 .12588192E+00 .12552874E+00 .12516431E+00 .12478835E+00 |
| 2269 |
.12440070E+00 .12400137E+00 .12359046E+00 .12316825E+00 .12273510E+00 |
| 2270 |
.12229152E+00 .12183812E+00 .12137563E+00 .12090488E+00 .12042677E+00 |
| 2271 |
.11994231E+00 .11945257E+00 .11895866E+00 .11846177E+00 .11796310E+00 |
| 2272 |
.11746388E+00 .11696536E+00 .11646879E+00 .11597539E+00 .11548637E+00 |
| 2273 |
.11500290E+00 .11452609E+00 .11405702E+00 .11359666E+00 .11314594E+00 |
| 2274 |
.11270569E+00 .11227663E+00 .11185942E+00 .11145458E+00 .11106252E+00 |
| 2275 |
.11068358E+00 .11031793E+00 .10996566E+00 .10962674E+00 .10930101E+00 |
| 2276 |
.10898822E+00 .10868798E+00 .10839983E+00 .10812320E+00 .10785742E+00 |
| 2277 |
.10760174E+00 .10735533E+00 .10711730E+00 .10688669E+00 .10666251E+00 |
| 2278 |
.10644371E+00 .10622921E+00 .10601792E+00 .10580875E+00 .10560060E+00 |
| 2279 |
.10539239E+00 .10518306E+00 .10497157E+00 .10475696E+00 .10453828E+00 |
| 2280 |
.10431468E+00 .10408535E+00 .10384957E+00 .10360669E+00 .10335617E+00 |
| 2281 |
.10309753E+00 .10283041E+00 .10255454E+00 .10226976E+00 .10197599E+00 |
| 2282 |
.10167327E+00 .10136174E+00 .10104161E+00 .10071322E+00 .10037698E+00 |
| 2283 |
.10003339E+00 .99683035E-01 .99326560E-01 .98964686E-01 .98598192E-01 |
| 2284 |
.98227905E-01 .97854696E-01 .97479469E-01 .97103153E-01 .96726690E-01 |
| 2285 |
.96351032E-01 .95977122E-01 .95605896E-01 .95238263E-01 .94875104E-01 |
| 2286 |
.94517262E-01 .94165530E-01 .93820648E-01 .93483297E-01 .93154087E-01 |
| 2287 |
.92833560E-01 .92522178E-01 .92220322E-01 .91928290E-01 .91646293E-01 |
| 2288 |
.91374453E-01 .91112806E-01 .90861296E-01 .90619782E-01 .90388037E-01 |
| 2289 |
.90165753E-01 .89952541E-01 .89747938E-01 .89551415E-01 .89362374E-01 |
| 2290 |
.89180165E-01 .89004083E-01 .88833381E-01 .88667275E-01 .88504954E-01 |
| 2291 |
.88345585E-01 .88188323E-01 .88032318E-01 .87876726E-01 .87720712E-01 |
| 2292 |
.87563465E-01 .87404199E-01 .87242164E-01 .87076653E-01 .86907006E-01 |
| 2293 |
.86732619E-01 .86552947E-01 .86367508E-01 .86175890E-01 .85977752E-01 |
| 2294 |
.85772829E-01 .85560931E-01 .85341946E-01 .85115842E-01 .84882662E-01 |
| 2295 |
.84642528E-01 .84395638E-01 .84142261E-01 .83882734E-01 .83617462E-01 |
| 2296 |
.83346910E-01 .83071598E-01 .82792096E-01 .82509020E-01 .82223022E-01 |
| 2297 |
.81934789E-01 .81645029E-01 .81354469E-01 .81063847E-01 .80773905E-01 |
| 2298 |
.80485378E-01 .80198993E-01 .79915456E-01 .79635450E-01 .79359624E-01 |
| 2299 |
.79088592E-01 .78822923E-01 .78563138E-01 .78309707E-01 .78063040E-01 |
| 2300 |
.77823487E-01 .77591337E-01 .77366809E-01 .77150057E-01 .76941167E-01 |
| 2301 |
.76740152E-01 .76546960E-01 .76361469E-01 .76183493E-01 .76012780E-01 |
| 2302 |
.75849017E-01 .75691837E-01 .75540816E-01 .75395484E-01 .75255324E-01 |
| 2303 |
.75119783E-01 .74988274E-01 .74860182E-01 .74734871E-01 .74611692E-01 |
| 2304 |
.74489984E-01 .74369085E-01 .74248340E-01 .74127101E-01 .74004738E-01 |
| 2305 |
.73880645E-01 .73754243E-01 .73624987E-01 .73492372E-01 .73355935E-01 |
| 2306 |
.73215260E-01 .73069982E-01 .72919790E-01 .72764430E-01 .72603706E-01 |
| 2307 |
.72437483E-01 .72265685E-01 .72088299E-01 .71905371E-01 .71717010E-01 |
| 2308 |
.71523379E-01 .71324701E-01 .71121250E-01 .70913351E-01 .70701375E-01 |
| 2309 |
.70485738E-01 .70266892E-01 .70045324E-01 .69821549E-01 .69596105E-01 |
| 2310 |
.69369549E-01 .69142452E-01 .68915389E-01 .68688937E-01 .68463671E-01 |
| 2311 |
.68240152E-01 .68018928E-01 .67800526E-01 .67585445E-01 .67374156E-01 |
| 2312 |
.67167094E-01 .66964656E-01 .66767195E-01 .66575021E-01 .66388395E-01 |
| 2313 |
.66207526E-01 .66032573E-01 .65863641E-01 .65700781E-01 .65543991E-01 |
| 2314 |
.65393213E-01 .65248338E-01 .65109204E-01 .64975603E-01 .64847276E-01 |
| 2315 |
.64723922E-01 .64605200E-01 .64490731E-01 .64380102E-01 .64272872E-01 |
| 2316 |
.64168575E-01 .64066726E-01 .63966823E-01 .63868355E-01 .63770806E-01 |
| 2317 |
.63673660E-01 .63576405E-01 .63478540E-01 .63379580E-01 .63279057E-01 |
| 2318 |
.63176528E-01 .63071579E-01 .62963827E-01 .62852923E-01 .62738558E-01 |
| 2319 |
.62620462E-01 .62498412E-01 .62372226E-01 .62241770E-01 .62106960E-01 |
| 2320 |
.61967756E-01 .61824170E-01 .61676259E-01 .61524129E-01 .61367929E-01 |
| 2321 |
.61207855E-01 .61044141E-01 .60877060E-01 .60706923E-01 .60534070E-01 |
| 2322 |
.60358873E-01 .60181727E-01 .60003048E-01 .59823270E-01 .59642838E-01 |
| 2323 |
.59462206E-01 .59281831E-01 .59102169E-01 .58923670E-01 .58746775E-01 |
| 2324 |
.58571909E-01 .58399479E-01 .58229870E-01 .58063440E-01 .57900520E-01 |
| 2325 |
.57741407E-01 .57586363E-01 .57435612E-01 .57289341E-01 .57147695E-01 |
| 2326 |
.57010775E-01 .56878642E-01 .56751311E-01 .56628757E-01 .56510908E-01 |
| 2327 |
.56397655E-01 .56288844E-01 .56184286E-01 .56083754E-01 .55986987E-01 |
| 2328 |
.55893693E-01 .55803552E-01 .55716218E-01 .55631325E-01 .55548488E-01 |
| 2329 |
.55467309E-01 .55387379E-01 .55308284E-01 .55229607E-01 .55150934E-01 |
| 2330 |
.55071857E-01 .54991978E-01 .54910915E-01 .54828302E-01 .54743793E-01 |
| 2331 |
.54657071E-01 .54567841E-01 .54475842E-01 .54380842E-01 .54282647E-01 |
| 2332 |
.54181097E-01 .54076069E-01 .53967480E-01 .53855285E-01 .53739479E-01 |
| 2333 |
.53620095E-01 .53497207E-01 .53370924E-01 .53241394E-01 .53108796E-01 |
| 2334 |
.52973345E-01 .52835284E-01 .52694885E-01 .52552444E-01 .52408280E-01 |
| 2335 |
.52262728E-01 .52116142E-01 .51968885E-01 .51821329E-01 .51673851E-01 |
| 2336 |
.51526828E-01 .51380634E-01 .51235637E-01 .51092192E-01 .50950643E-01 |
| 2337 |
.50811317E-01 .50674519E-01 .50540531E-01 .50409612E-01 .50281988E-01 |
| 2338 |
.50157861E-01 .50037397E-01 .49920729E-01 .49807956E-01 .49699143E-01 |
| 2339 |
.49594318E-01 .49493471E-01 .49396560E-01 .49303505E-01 .49214193E-01 |
| 2340 |
.49128478E-01 .49046182E-01 .48967100E-01 .48890996E-01 .48817613E-01 |
| 2341 |
.48746669E-01 .48677865E-01 .48610885E-01 .48545398E-01 .48481065E-01 |
| 2342 |
.48417539E-01 .48354471E-01 .48291511E-01 .48228314E-01 .48164541E-01 |
| 2343 |
.48099863E-01 .48033964E-01 .47966547E-01 .47897331E-01 .47826058E-01 |
| 2344 |
.47752495E-01 .47676435E-01 .47597697E-01 .47516131E-01 .47431619E-01 |
| 2345 |
.47344073E-01 .47253440E-01 .47159697E-01 .47062858E-01 .46962965E-01 |
| 2346 |
gradient corrections used for XC |
| 2347 |
5 |
| 2348 |
atomic pseudo charge-density |
| 2349 |
.40000000E+01 .39894900E+01 .39582020E+01 .39068475E+01 .38365676E+01 |
| 2350 |
.37488701E+01 .36455522E+01 .35286148E+01 .34001764E+01 .32623924E+01 |
| 2351 |
.31173852E+01 .29671861E+01 .28136923E+01 .26586361E+01 .25035670E+01 |
| 2352 |
.23498438E+01 .21986345E+01 .20509225E+01 .19075176E+01 .17690689E+01 |
| 2353 |
.16360799E+01 .15089238E+01 .13878591E+01 .12730444E+01 .11645520E+01 |
| 2354 |
.10623816E+01 .96647127E+00 .87670875E+00 .79294050E+00 .71498025E+00 |
| 2355 |
.64261635E+00 .57561818E+00 .51374165E+00 .45673396E+00 .40433763E+00 |
| 2356 |
.35629386E+00 .31234537E+00 .27223873E+00 .23572619E+00 .20256723E+00 |
| 2357 |
.17252965E+00 .14539051E+00 .12093668E+00 .98965284E-01 .79283926E-01 |
| 2358 |
.61710762E-01 .46074455E-01 .32214036E-01 .19978673E-01 .92273858E-02 |
| 2359 |
-.17129911E-03 -.83397200E-02 -.15391484E-01 -.21431883E-01 -.26558326E-01 |
| 2360 |
-.30860765E-01 -.34422125E-01 -.37318724E-01 -.39620689E-01 -.41392351E-01 |
| 2361 |
-.42692632E-01 -.43575414E-01 -.44089892E-01 -.44280909E-01 -.44189275E-01 |
| 2362 |
-.43852064E-01 -.43302903E-01 -.42572229E-01 -.41687545E-01 -.40673652E-01 |
| 2363 |
-.39552862E-01 -.38345208E-01 -.37068625E-01 -.35739131E-01 -.34370987E-01 |
| 2364 |
-.32976850E-01 -.31567908E-01 -.30154015E-01 -.28743807E-01 -.27344813E-01 |
| 2365 |
-.25963554E-01 -.24605642E-01 -.23275859E-01 -.21978245E-01 -.20716161E-01 |
| 2366 |
-.19492364E-01 -.18309064E-01 -.17167982E-01 -.16070400E-01 -.15017212E-01 |
| 2367 |
-.14008960E-01 -.13045883E-01 -.12127944E-01 -.11254869E-01 -.10426176E-01 |
| 2368 |
-.96411985E-02 -.88991161E-02 -.81989728E-02 -.75396992E-02 -.69201309E-02 |
| 2369 |
-.63390252E-02 -.57950768E-02 -.52869306E-02 -.48131948E-02 -.43724520E-02 |
| 2370 |
-.39632685E-02 -.35842039E-02 -.32338185E-02 -.29106807E-02 -.26133730E-02 |
| 2371 |
-.23404975E-02 -.20906808E-02 -.18625779E-02 -.16548763E-02 -.14662983E-02 |
| 2372 |
-.12956043E-02 -.11415948E-02 -.10031117E-02 -.87904038E-03 -.76831031E-03 |
| 2373 |
-.66989594E-03 -.58281725E-03 -.50613997E-03 -.43897557E-03 -.38048116E-03 |
| 2374 |
-.32985907E-03 -.28635640E-03 -.24926428E-03 -.21791713E-03 -.19169172E-03 |
| 2375 |
-.17000618E-03 -.15231889E-03 -.13812728E-03 -.12696662E-03 -.11840868E-03 |
| 2376 |
-.11206038E-03 -.10756243E-03 -.10458788E-03 -.10284067E-03 -.10205420E-03 |
| 2377 |
-.10198983E-03 -.10243541E-03 -.10320382E-03 -.10413150E-03 -.10507701E-03 |
| 2378 |
-.10591958E-03 -.10655770E-03 -.10690776E-03 -.10690264E-03 -.10649045E-03 |
| 2379 |
-.10563321E-03 -.10430558E-03 -.10249368E-03 -.10019394E-03 -.97411903E-04 |
| 2380 |
-.94161239E-04 -.90462658E-04 -.86342952E-04 -.81834062E-04 -.76972202E-04 |
| 2381 |
-.71797027E-04 -.66350863E-04 -.60677976E-04 -.54823902E-04 -.48834824E-04 |
| 2382 |
-.42757002E-04 -.36636248E-04 -.30517455E-04 -.24444170E-04 -.18458220E-04 |
| 2383 |
-.12599377E-04 -.69050699E-05 -.14101411E-05 .38533596E-05 .88563384E-05 |
| 2384 |
.13572784E-04 .17979862E-04 .22057967E-04 .25790753E-04 .29165127E-04 |
| 2385 |
.32171219E-04 .34802321E-04 .37054812E-04 .38928050E-04 .40424254E-04 |
| 2386 |
.41548366E-04 .42307895E-04 .42712753E-04 .42775078E-04 .42509044E-04 |
| 2387 |
.41930672E-04 .41057628E-04 .39909024E-04 .38505210E-04 .36867574E-04 |
| 2388 |
.35018335E-04 .32980347E-04 .30776900E-04 .28431531E-04 .25967839E-04 |
| 2389 |
.23409308E-04 .20779141E-04 .18100099E-04 .15394352E-04 .12683343E-04 |
| 2390 |
.99876602E-05 .73269199E-05 .47196652E-05 .21832738E-05 -.26612093E-06 |
| 2391 |
-.26136966E-05 -.48459962E-05 -.69509705E-05 -.89180082E-05 -.10737955E-04 |
| 2392 |
-.12403120E-04 -.13907274E-04 -.15245635E-04 -.16414842E-04 -.17412925E-04 |
| 2393 |
-.18239262E-04 -.18894531E-04 -.19380647E-04 -.19700707E-04 -.19858913E-04 |
| 2394 |
-.19860497E-04 -.19711649E-04 -.19419423E-04 -.18991661E-04 -.18436897E-04 |
| 2395 |
-.17764271E-04 -.16983436E-04 -.16104469E-04 -.15137779E-04 -.14094018E-04 |
| 2396 |
-.12983994E-04 -.11818584E-04 -.10608653E-04 -.93649753E-05 -.80981563E-05 |
| 2397 |
-.68185635E-05 -.55362587E-05 -.42609358E-05 -.30018642E-05 -.17678364E-05 |
| 2398 |
-.56712210E-06 .59257268E-06 .17041408E-05 .27611032E-05 .37576329E-05 |
| 2399 |
.46885729E-05 .55494485E-05 .63364747E-05 .70465576E-05 .76772913E-05 |
| 2400 |
.82269492E-05 .86944718E-05 .90794484E-05 .93820966E-05 .96032364E-05 |
| 2401 |
.97442618E-05 .98071092E-05 .97942222E-05 .97085150E-05 .95533334E-05 |
| 2402 |
.93324133E-05 .90498395E-05 .87100017E-05 .83175510E-05 .78773561E-05 |
| 2403 |
.73944586E-05 .68740299E-05 .63213278E-05 .57416545E-05 .51403160E-05 |
| 2404 |
.45225820E-05 .38936493E-05 .32586050E-05 .26223937E-05 .19897859E-05 |
| 2405 |
.13653490E-05 .75342120E-06 .15808773E-06 -.41683995E-06 -.96784232E-06 |
| 2406 |
-.14917071E-05 -.19855416E-05 -.24467826E-05 -.28732026E-05 -.32629148E-05 |
| 2407 |
-.36143737E-05 -.39263743E-05 -.41980485E-05 -.44288590E-05 -.46185911E-05 |
| 2408 |
-.47673421E-05 -.48755097E-05 -.49437772E-05 -.49730984E-05 -.49646802E-05 |
| 2409 |
-.49199645E-05 -.48406086E-05 -.47284651E-05 -.45855609E-05 -.44140755E-05 |
| 2410 |
-.42163195E-05 -.39947123E-05 -.37517602E-05 -.34900346E-05 -.32121506E-05 |
| 2411 |
-.29207457E-05 -.26184596E-05 -.23079144E-05 -.19916960E-05 -.16723361E-05 |
| 2412 |
-.13522955E-05 -.10339484E-05 -.71956822E-06 -.41131424E-06 -.11122015E-06 |
| 2413 |
.17881646E-06 .45704305E-06 .72185964E-06 .97182491E-06 .12056609E-05 |
| 2414 |
.14222565E-05 .16206688E-05 .18001243E-05 .19600182E-05 .20999118E-05 |
| 2415 |
.22195301E-05 .23187575E-05 .23976321E-05 .24563400E-05 .24952081E-05 |
| 2416 |
.25146961E-05 .25153883E-05 .24979843E-05 .24632891E-05 .24122036E-05 |
| 2417 |
.23457138E-05 .22648803E-05 .21708277E-05 .20647336E-05 .19478179E-05 |
| 2418 |
.18213320E-05 .16865487E-05 .15447516E-05 .13972253E-05 .12452459E-05 |
| 2419 |
.10900719E-05 .93293577E-06 .77503581E-06 .61752862E-06 .46152239E-06 |
| 2420 |
.30807066E-06 .15816677E-06 .12739005E-07 -.12735356E-06 -.26132457E-06 |
| 2421 |
-.38846317E-06 -.50813609E-06 -.61978918E-06 -.72294809E-06 -.81721854E-06 |
| 2422 |
-.90228580E-06 -.97791371E-06 -.10439431E-05 -.11002898E-05 -.11469419E-05 |
| 2423 |
-.11839571E-05 -.12114589E-05 -.12296334E-05 -.12387248E-05 -.12390316E-05 |
| 2424 |
-.12309018E-05 -.12147281E-05 -.11909435E-05 -.11600163E-05 -.11224449E-05 |
| 2425 |
-.10787535E-05 -.10294863E-05 -.97520367E-06 -.91647663E-06 -.85388276E-06 |
| 2426 |
-.78800156E-06 -.71941031E-06 -.64868001E-06 -.57637166E-06 -.50303265E-06 |
| 2427 |
-.42919358E-06 -.35536526E-06 -.28203600E-06 -.20966924E-06 -.13870146E-06 |
| 2428 |
-.69540363E-07 -.25634316E-08 .61883314E-07 .12348619E-06 .18196450E-06 |
| 2429 |
.23707084E-06 .28859122E-06 .33634491E-06 .38018401E-06 .41999287E-06 |
| 2430 |
.45568726E-06 .48721338E-06 .51454669E-06 .53769062E-06 .55667507E-06 |
| 2431 |
.57155493E-06 .58240839E-06 .58933523E-06 .59245505E-06 .59190547E-06 |
| 2432 |
.58784023E-06 .58042744E-06 .56984766E-06 .55629214E-06 .53996100E-06 |
| 2433 |
.52106152E-06 .49980645E-06 .47641242E-06 .45109836E-06 .42408409E-06 |
| 2434 |
.39558893E-06 .36583041E-06 .33502312E-06 .30337757E-06 .27109929E-06 |
| 2435 |
.23838785E-06 .20543614E-06 .17242964E-06 .13954584E-06 .10695374E-06 |
| 2436 |
.74813405E-07 .43275666E-07 .12481843E-07 -.17436428E-07 -.46357310E-07 |
| 2437 |
-.74168811E-07 -.10076878E-06 -.12606483E-06 -.14997427E-06 -.17242391E-06 |
| 2438 |
-.19334994E-06 -.21269766E-06 -.23042128E-06 -.24648367E-06 -.26085607E-06 |
| 2439 |
-.27351786E-06 -.28445619E-06 -.29366577E-06 -.30114856E-06 -.30691344E-06 |
| 2440 |
-.31097596E-06 -.31335807E-06 -.31408779E-06 -.31319900E-06 -.31073113E-06 |
| 2441 |
-.30672891E-06 -.30124215E-06 -.29432545E-06 -.28603797E-06 -.27644321E-06 |
| 2442 |
-.26560872E-06 -.25360594E-06 -.24050989E-06 -.22639893E-06 -.21135456E-06 |
| 2443 |
-.19546112E-06 -.17880555E-06 -.16147710E-06 -.14356706E-06 -.12516847E-06 |
| 2444 |
-.10637578E-06 -.87284562E-07 -.67991183E-07 -.48592423E-07 -.29185139E-07 |
| 2445 |
-.98658847E-08 .92694738E-08 .28126154E-07 .46610864E-07 .64632213E-07 |
| 2446 |
.82101130E-07 .98931289E-07 .11503953E-06 .13034627E-06 .14477595E-06 |
| 2447 |
.15825741E-06 .17072429E-06 .18211544E-06 .19237526E-06 .20145407E-06 |
| 2448 |
.20930840E-06 .21590130E-06 .22120261E-06 .22518921E-06 .22784515E-06 |
| 2449 |
.22916188E-06 .22913831E-06 .22778091E-06 .22510374E-06 .22112841E-06 |
| 2450 |
.21588403E-06 .20940707E-06 .20174125E-06 .19293726E-06 .18305256E-06 |
| 2451 |
.17215102E-06 .16030261E-06 .14758298E-06 .13407304E-06 .11985844E-06 |
| 2452 |
.10502911E-06 .89678674E-07 .73903880E-07 .57803998E-07 .41480189E-07 |
| 2453 |
.25034862E-07 .85710175E-08 -.78084252E-08 -.24001293E-07 -.39906833E-07 |
| 2454 |
-.55426374E-07 -.70463977E-07 -.84927079E-07 -.98727103E-07 -.11178005E-06 |
| 2455 |
-.12400706E-06 -.13533495E-06 -.14569668E-06 -.15503180E-06 -.16328690E-06 |
| 2456 |
-.17041589E-06 -.17638034E-06 -.18114974E-06 -.18470165E-06 -.18702187E-06 |
| 2457 |
-.18810450E-06 -.18795193E-06 -.18657487E-06 -.18399215E-06 -.18023064E-06 |
| 2458 |
-.17532500E-06 -.16931738E-06 -.16225716E-06 -.15420051E-06 -.14520998E-06 |
| 2459 |
-.13535407E-06 -.12470665E-06 -.11334649E-06 -.10135660E-06 -.88823690E-07 |
| 2460 |
-.75837495E-07 -.62490139E-07 -.48875466E-07 -.35088367E-07 -.21224102E-07 |
| 2461 |
-.73776225E-08 .63570979E-08 .19887723E-07 .33124194E-07 .45979356E-07 |
| 2462 |
.58369547E-07 .70215167E-07 .81441213E-07 .91977763E-07 .10176044E-06 |
| 2463 |
.11073081E-06 .11883676E-06 .12603278E-06 .13228025E-06 .13754765E-06 |
| 2464 |
.14181067E-06 .14505237E-06 .14726318E-06 .14844092E-06 .14859068E-06 |
| 2465 |
.14772477E-06 .14586250E-06 .14303000E-06 .13925989E-06 .13459104E-06 |
| 2466 |
.12906817E-06 .12274144E-06 .11566608E-06 .10790186E-06 .99512635E-07 |
| 2467 |
.90565833E-07 .81131898E-07 .71283751E-07 .61096228E-07 .50645504E-07 |
| 2468 |
.40008531E-07 .29262457E-07 .18484072E-07 .77492476E-08 -.28675974E-08 |
| 2469 |
-.13294019E-07 -.23460046E-07 -.33298652E-07 -.42746200E-07 -.51742853E-07 |
| 2470 |
-.60232950E-07 -.68165351E-07 -.75493733E-07 -.82176855E-07 -.88178773E-07 |
| 2471 |
-.93469019E-07 -.98022732E-07 -.10182074E-06 -.10484962E-06 -.10710169E-06 |
| 2472 |
-.10857493E-06 -.10927298E-06 -.10920494E-06 -.10838523E-06 -.10683340E-06 |
| 2473 |
-.10457390E-06 -.10163577E-06 -.98052390E-07 -.93861130E-07 -.89103007E-07 |
| 2474 |
-.83822319E-07 -.78066251E-07 -.71884480E-07 -.65328756E-07 -.58452488E-07 |
| 2475 |
-.51310317E-07 -.43957688E-07 -.36450431E-07 -.28844344E-07 -.21194780E-07 |
| 2476 |
-.13556254E-07 -.59820564E-08 .14761063E-08 .87684629E-08 .15847499E-07 |
| 2477 |
.22668258E-07 .29188613E-07 .35369518E-07 .41175223E-07 .46573463E-07 |
| 2478 |
.51535618E-07 .56036840E-07 .60056145E-07 .63576484E-07 .66584772E-07 |
| 2479 |
.69071889E-07 .71032659E-07 .72465786E-07 .73373776E-07 .73762822E-07 |
| 2480 |
.73642668E-07 .73026451E-07 .71930518E-07 .70374224E-07 .68379717E-07 |
| 2481 |
.65971700E-07 .63177183E-07 .60025227E-07 .56546677E-07 .52773883E-07 |
| 2482 |
.48740429E-07 .44480847E-07 .40030343E-07 .35424518E-07 .30699094E-07 |
| 2483 |
.25889652E-07 .21031375E-07 .16158799E-07 .11305583E-07 .65042830E-08 |
| 2484 |
.17861505E-08 -.28190595E-08 -.72832606E-08 -.11580190E-07 -.15685545E-07 |
| 2485 |
-.19577099E-07 -.23234801E-07 -.26640852E-07 -.29779764E-07 -.32638398E-07 |
| 2486 |
-.35205985E-07 -.37474124E-07 -.39436770E-07 -.41090193E-07 -.42432932E-07 |
| 2487 |
-.43465724E-07 -.44191427E-07 -.44614921E-07 -.44743004E-07 -.44584271E-07 |
| 2488 |
-.44148993E-07 -.43448973E-07 -.42497411E-07 -.41308752E-07 -.39898536E-07 |
| 2489 |
-.38283245E-07 -.36480143E-07 -.34507126E-07 -.32382565E-07 -.30125155E-07 |
| 2490 |
-.27753768E-07 -.25287308E-07 -.22744577E-07 -.20144140E-07 -.17504207E-07 |
| 2491 |
-.14842515E-07 -.12176224E-07 -.95218170E-08 -.68950172E-08 -.43107085E-08 |
| 2492 |
-.17828698E-08 .67548171E-09 .30523361E-08 .53367266E-08 .75187554E-08 |
| 2493 |
.95896091E-08 .11541566E-07 .13367991E-07 .15063329E-07 .16623082E-07 |
| 2494 |
.18043783E-07 .19322963E-07 .20459115E-07 .21451641E-07 .22300813E-07 |
| 2495 |
.23007713E-07 .23574175E-07 .24002733E-07 .24296554E-07 .24459380E-07 |
| 2496 |
.24495461E-07 .24409502E-07 .24206590E-07 .23892145E-07 .23471858E-07 |
| 2497 |
.22951633E-07 .22337542E-07 .21635766E-07 .20852560E-07 .19994202E-07 |
| 2498 |
.19066961E-07 .18077060E-07 .17030647E-07 .15933771E-07 .14792357E-07 |
| 2499 |
.13612192E-07 .12398908E-07 .11157975E-07 .98946952E-08 .86141953E-08 |
| 2500 |
.73214307E-08 .60211860E-08 .47180798E-08 .34165713E-08 .21209687E-08 |
| 2501 |
.83543781E-09 -.43598720E-09 -.16893937E-08 -.29209799E-08 -.41270446E-08 |
| 2502 |
-.53039777E-08 -.64482516E-08 -.75564137E-08 -.86250803E-08 -.96509327E-08 |
| 2503 |
-.10630715E-07 -.11561233E-07 -.12439359E-07 -.13262030E-07 -.14026264E-07 |
| 2504 |
-.14729158E-07 -.15367907E-07 -.15939815E-07 -.16442307E-07 -.16872954E-07 |
| 2505 |
-.17229484E-07 -.17509805E-07 -.17712031E-07 -.17834498E-07 -.17875790E-07 |
| 2506 |
-.17834765E-07 -.17710574E-07 -.17502687E-07 -.17210914E-07 -.16835429E-07 |
| 2507 |
-.16376786E-07 -.15835939E-07 -.15214259E-07 -.14513545E-07 -.13736037E-07 |
| 2508 |
-.12884424E-07 -.11961847E-07 -.10971900E-07 -.99186285E-08 -.88065248E-08 |
| 2509 |
-.76405142E-08 -.64259427E-08 -.51685588E-08 -.38744910E-08 -.25502216E-08 |
| 2510 |
-.12025568E-08 .16140726E-09 .15343218E-08 .29086260E-08 .42765908E-08 |
| 2511 |
.56303649E-08 .69620244E-08 .82636232E-08 .95272464E-08 .10745064E-07 |
| 2512 |
.11909386E-07 .13012718E-07 .14047815E-07 .15007739E-07 .15885909E-07 |
| 2513 |
.16676160E-07 .17372786E-07 .17970592E-07 .18464940E-07 .18851790E-07 |
| 2514 |
.19127737E-07 .19290048E-07 .19336692E-07 .19266363E-07 .19078501E-07 |
| 2515 |
.18773310E-07 .18351763E-07 .17815610E-07 .17167373E-07 .16410342E-07 |
| 2516 |
.15548559E-07 .14586799E-07 .13530548E-07 .12385969E-07 .11159868E-07 |
| 2517 |
.98596519E-08 .84932852E-08 .70692366E-08 .55964254E-08 .40841624E-08 |
| 2518 |
.25420881E-08 .98010759E-09 -.59167741E-09 -.21630380E-08 -.37236897E-08 |
| 2519 |
-.52633642E-08 -.67718825E-08 -.82392266E-08 -.96556114E-08 -.11011555E-07 |
| 2520 |
-.12297948E-07 -.13506118E-07 -.14627896E-07 -.15655673E-07 -.16582459E-07 |
| 2521 |
-.17401931E-07 -.18108486E-07 -.18697277E-07 -.19164252E-07 -.19506188E-07 |
| 2522 |
-.19720711E-07 -.19806318E-07 -.19762387E-07 -.19589185E-07 -.19287868E-07 |
| 2523 |
-.18860471E-07 -.18309900E-07 -.17639907E-07 -.16855065E-07 -.15960739E-07 |
| 2524 |
-.14963046E-07 -.13868811E-07 -.12685520E-07 -.11421268E-07 -.10084700E-07 |
| 2525 |
-.86849467E-08 -.72315646E-08 -.57344642E-08 -.42038405E-08 -.26501008E-08 |
| 2526 |
-.10837905E-08 .48448204E-09 .20441206E-08 .35846164E-08 .50956218E-08 |
| 2527 |
.65670232E-08 .79890116E-08 .93521515E-08 .10647446E-07 .11866399E-07 |
| 2528 |
.13001074E-07 .14044148E-07 .14988961E-07 .15829560E-07 .16560736E-07 |
| 2529 |
.17178062E-07 .17677917E-07 .18057509E-07 .18314892E-07 .18448971E-07 |
| 2530 |
.18459512E-07 .18347132E-07 .18113294E-07 .17760291E-07 .17291226E-07 |
| 2531 |
.16709983E-07 .16021195E-07 .15230210E-07 .14343043E-07 .13366334E-07 |
| 2532 |
.12307295E-07 .11173655E-07 .99736045E-08 .87157315E-08 .74089595E-08 |
| 2533 |
.60624825E-08 .46856976E-08 .32881383E-08 .18794063E-08 .46910370E-09 |
| 2534 |
-.93323375E-09 -.23182037E-08 -.36766016E-08 -.49994838E-08 -.62782273E-08 |
| 2535 |
-.75045873E-08 -.86707511E-08 -.97693884E-08 -.10793699E-07 -.11737453E-07 |
| 2536 |
-.12595033E-07 -.13361463E-07 -.14032440E-07 -.14604354E-07 -.15074308E-07 |
| 2537 |
-.15440129E-07 -.15700380E-07 -.15854357E-07 -.15902089E-07 -.15844329E-07 |
| 2538 |
-.15682542E-07 -.15418884E-07 -.15056181E-07 -.14597904E-07 -.14048132E-07 |
| 2539 |
-.13411522E-07 -.12693269E-07 -.11899062E-07 -.11035039E-07 -.10107739E-07 |
| 2540 |
-.91240519E-08 -.80911681E-08 -.70165238E-08 -.59077471E-08 -.47726033E-08 |
| 2541 |
-.36189393E-08 -.24546283E-08 -.12875154E-08 -.12536420E-09 .10241948E-08 |
| 2542 |
.21537149E-08 .32559810E-08 .43240565E-08 .53513264E-08 .63315385E-08 |
| 2543 |
.72588407E-08 .81278148E-08 .89335067E-08 .96714534E-08 .10337705E-07 |
| 2544 |
.10928847E-07 .11442010E-07 .11874887E-07 .12225737E-07 .12493388E-07 |
| 2545 |
.12677236E-07 .12777240E-07 .12793915E-07 .12728316E-07 .12582026E-07 |
| 2546 |
.12357137E-07 .12056223E-07 .11682320E-07 .11238896E-07 .10729818E-07 |
| 2547 |
.10159324E-07 .95319832E-08 .88526655E-08 .81265011E-08 .73588426E-08 |
| 2548 |
.65552249E-08 .57213260E-08 .48629257E-08 .39858667E-08 .30960146E-08 |
| 2549 |
25.1333556480996805 T |
| 2550 |
Non local Part |
| 2551 |
0 2 1.19916030564286080 |
| 2552 |
6.64147139257665753 -0.902950942393947048E-01 -0.902950942393947048E-01 -0.494570754788003619E-02 |
| 2553 |
Reciprocal Space Part |
| 2554 |
.55817778E+01 .55705292E+01 .55368742E+01 .54810842E+01 .54036090E+01 |
| 2555 |
.53050722E+01 .51862655E+01 .50481413E+01 .48918033E+01 .47184965E+01 |
| 2556 |
.45295951E+01 .43265891E+01 .41110702E+01 .38847161E+01 .36492746E+01 |
| 2557 |
.34065459E+01 .31583653E+01 .29065851E+01 .26530561E+01 .23996093E+01 |
| 2558 |
.21480380E+01 .19000796E+01 .16573990E+01 .14215722E+01 .11940710E+01 |
| 2559 |
.97624910E+00 .76932962E+00 .57439430E+00 .39237433E+00 .22404317E+00 |
| 2560 |
.70011403E-01 -.69276357E-01 -.19354238E+00 -.30267462E+00 -.39672330E+00 |
| 2561 |
-.47589550E+00 -.54054769E+00 -.59117641E+00 -.62840720E+00 -.65298201E+00 |
| 2562 |
-.66574526E+00 -.66762884E+00 -.65963619E+00 -.64282584E+00 -.61829466E+00 |
| 2563 |
-.58716098E+00 -.55054809E+00 -.50956809E+00 -.46530668E+00 -.41880877E+00 |
| 2564 |
-.37106549E+00 -.32300249E+00 -.27546984E+00 -.22923368E+00 -.18496959E+00 |
| 2565 |
-.14325789E+00 -.10458070E+00 -.69320980E-01 -.37763250E-01 -.10096082E-01 |
| 2566 |
.13583844E-01 .33266241E-01 .49020451E-01 .60987606E-01 .69371922E-01 |
| 2567 |
.74431341E-01 .76467752E-01 .75816996E-01 .72838896E-01 .67907498E-01 |
| 2568 |
.61401725E-01 .53696622E-01 .45155343E-01 .36122003E-01 .26915516E-01 |
| 2569 |
.17824469E-01 .91031031E-02 .96841293E-03 -.64016513E-02 -.12868900E-01 |
| 2570 |
-.18334607E-01 -.22738262E-01 -.26055498E-01 -.28295268E-01 -.29496423E-01 |
| 2571 |
-.29723817E-01 -.29064057E-01 -.27621053E-01 -.25511488E-01 -.22860336E-01 |
| 2572 |
-.19796541E-01 -.16448962E-01 -.12942675E-01 -.93957003E-02 -.59162147E-02 |
| 2573 |
-.26002886E-02 .46983200E-03 .32268923E-02 .56192551E-02 .76110128E-02 |
| 2574 |
Real Space Part |
| 2575 |
-.69534111E+01 -.69008643E+01 -.67439149E+01 -.64846258E+01 -.61264015E+01 |
| 2576 |
-.56739369E+01 -.51331487E+01 -.45110871E+01 -.38158316E+01 -.30563714E+01 |
| 2577 |
-.22424722E+01 -.13845316E+01 -.49342616E+00 .41964975E+00 .13433478E+01 |
| 2578 |
.22663320E+01 .31774436E+01 .40658621E+01 .49212597E+01 .57339466E+01 |
| 2579 |
.64950054E+01 .71964102E+01 .78311315E+01 .83932221E+01 .88778851E+01 |
| 2580 |
.92815206E+01 .96017523E+01 .98374329E+01 .99886278E+01 .10056579E+02 |
| 2581 |
.10043651E+02 .99532522E+01 .97897493E+01 .95583598E+01 .92650354E+01 |
| 2582 |
.89163354E+01 .85192934E+01 .80812800E+01 .76098643E+01 .71126773E+01 |
| 2583 |
.65972797E+01 .60710370E+01 .55410038E+01 .50138200E+01 .44956195E+01 |
| 2584 |
.39919547E+01 .35077354E+01 .30471850E+01 .26138123E+01 .22103999E+01 |
| 2585 |
.18390082E+01 .15009937E+01 .11970412E+01 .92720705E+00 .69097321E+00 |
| 2586 |
.48730908E+00 .31473956E+00 .17141725E+00 .55196666E-01 -.36291350E-01 |
| 2587 |
-.10556696E+00 -.15523202E+00 -.18790557E+00 -.20616537E+00 -.21249645E+00 |
| 2588 |
-.20924726E+00 -.19859404E+00 -.18251343E+00 -.16276324E+00 -.14087115E+00 |
| 2589 |
-.11813077E+00 -.95604363E-01 -.74131485E-01 -.54342573E-01 -.36676532E-01 |
| 2590 |
-.21401321E-01 -.86365671E-02 .16227553E-02 .94824334E-02 .15125707E-01 |
| 2591 |
.18791209E-01 .20752711E-01 .21301098E-01 .20728862E-01 .19317303E-01 |
| 2592 |
.17326466E-01 .14987782E-01 .12499256E-01 .10022986E-01 .76847243E-02 |
| 2593 |
.55751736E-02 .37526593E-02 .22468383E-02 .10630977E-02 .18732362E-03 |
| 2594 |
-.40924829E-03 -.76534653E-03 -.92534563E-03 -.93546876E-03 -.84061581E-03 |
| 2595 |
Reciprocal Space Part |
| 2596 |
-.18050704E+02 -.17834272E+02 -.17186760E+02 -.16113521E+02 -.14623482E+02 |
| 2597 |
-.12729146E+02 -.10446591E+02 -.77954652E+01 -.47989573E+01 -.14837576E+01 |
| 2598 |
.21200169E+01 .59789299E+01 .10056375E+02 .14312772E+02 .18705823E+02 |
| 2599 |
.23190815E+02 .27720993E+02 .32247989E+02 .36722309E+02 .41093883E+02 |
| 2600 |
.45312654E+02 .49329224E+02 .53095520E+02 .56565493E+02 .59695819E+02 |
| 2601 |
.62446596E+02 .64782024E+02 .66671043E+02 .68087925E+02 .69012796E+02 |
| 2602 |
.69432071E+02 .69338806E+02 .68732931E+02 .67621372E+02 .66018053E+02 |
| 2603 |
.63943765E+02 .61425910E+02 .58498115E+02 .55199729E+02 .51575201E+02 |
| 2604 |
.47673357E+02 .43546587E+02 .39249955E+02 .34840257E+02 .30375044E+02 |
| 2605 |
.25911622E+02 .21506061E+02 .17212234E+02 .13080900E+02 .91588530E+01 |
| 2606 |
.54881601E+01 .21055001E+01 -.95838227E+00 -.36790948E+01 -.60388808E+01 |
| 2607 |
-.80267626E+01 -.96385435E+01 -.10876670E+02 -.11749959E+02 -.12273201E+02 |
| 2608 |
-.12466648E+02 -.12355399E+02 -.11968702E+02 -.11339191E+02 -.10502073E+02 |
| 2609 |
-.94942880E+01 -.83536641E+01 -.71180804E+01 -.58246663E+01 -.45090480E+01 |
| 2610 |
-.32046618E+01 -.19421464E+01 -.74882792E+00 .35169526E+00 .13398601E+01 |
| 2611 |
.22003369E+01 .29221161E+01 .34984875E+01 .39269162E+01 .42088235E+01 |
| 2612 |
.43492818E+01 .43566365E+01 .42420665E+01 .40190991E+01 .37030930E+01 |
| 2613 |
.33107050E+01 .28593554E+01 .23667065E+01 .18501663E+01 .13264317E+01 |
| 2614 |
.81107916E+00 .31821257E+00 -.13982499E+00 -.55267182E+00 -.91209780E+00 |
| 2615 |
-.12120841E+01 -.14488344E+01 -.16207210E+01 -.17281718E+01 -.17735043E+01 |
| 2616 |
Real Space Part |
| 2617 |
.10651139E+04 .10644690E+04 .10625081E+04 .10591538E+04 .10542809E+04 |
| 2618 |
.10477220E+04 .10392749E+04 .10287116E+04 .10157888E+04 .10002596E+04 |
| 2619 |
.98188486E+03 .96044581E+03 .93575544E+03 .90766958E+03 .87609671E+03 |
| 2620 |
.84100623E+03 .80243497E+03 .76049163E+03 .71535894E+03 .66729356E+03 |
| 2621 |
.61662359E+03 .56374381E+03 .50910879E+03 .45322409E+03 .39663573E+03 |
| 2622 |
.33991847E+03 .28366297E+03 .22846251E+03 .17489949E+03 .12353223E+03 |
| 2623 |
.74882375E+02 .29423356E+02 -.12429823E+02 -.50329150E+02 -.84000326E+02 |
| 2624 |
-.11324746E+03 -.13795569E+03 -.15809158E+03 -.17370155E+03 -.18490823E+03 |
| 2625 |
-.19190502E+03 -.19494902E+03 -.19435265E+03 -.19047419E+03 -.18370756E+03 |
| 2626 |
-.17447167E+03 -.16319972E+03 -.15032861E+03 -.13628891E+03 -.12149559E+03 |
| 2627 |
-.10633967E+03 -.91181076E+02 -.76342788E+02 -.62106350E+02 -.48708813E+02 |
| 2628 |
-.36341096E+02 -.25147706E+02 -.15227736E+02 -.66370019E+01 .60880866E+00 |
| 2629 |
.65301792E+01 .11179163E+02 .14634341E+02 .16995528E+02 .18378415E+02 |
| 2630 |
.18909313E+02 .18720165E+02 .17943940E+02 .16710533E+02 .15143243E+02 |
| 2631 |
.13355885E+02 .11450557E+02 .95160752E+01 .76270408E+01 .58435107E+01 |
| 2632 |
.42112018E+01 .27621624E+01 .15158297E+01 .48038513E+00 -.34567781E+00 |
| 2633 |
-.97186072E+00 -.14139210E+01 -.16921593E+01 -.18297962E+01 -.18514895E+01 |
| 2634 |
-.17820313E+01 -.16452525E+01 -.14631487E+01 -.12552329E+01 -.10381074E+01 |
| 2635 |
-.82524120E+00 -.62692995E+00 -.45041348E+00 -.30011899E+00 -.17799937E+00 |
| 2636 |
-.83934893E-01 -.16168161E-01 .28254623E-01 .53059773E-01 .62358715E-01 |
| 2637 |
Non local Part |
| 2638 |
1 2 1.19916030564286080 |
| 2639 |
-1.25459306742451093 0.228100760454737587E-01 0.228100760454737587E-01 -0.700981276733592118 |
| 2640 |
Reciprocal Space Part |
| 2641 |
.00000000E+00 .23510789E+00 .46836234E+00 .69793402E+00 .92204139E+00 |
| 2642 |
.11389735E+01 .13471118E+01 .15449501E+01 .17311126E+01 .19043703E+01 |
| 2643 |
.20636539E+01 .22080652E+01 .23368850E+01 .24495780E+01 .25457954E+01 |
| 2644 |
.26253740E+01 .26883327E+01 .27348663E+01 .27653367E+01 .27802619E+01 |
| 2645 |
.27803027E+01 .27662478E+01 .27389977E+01 .26995471E+01 .26489663E+01 |
| 2646 |
.25883833E+01 .25189648E+01 .24418976E+01 .23583711E+01 .22695607E+01 |
| 2647 |
.21766115E+01 .20806245E+01 .19826438E+01 .18836459E+01 .17845301E+01 |
| 2648 |
.16861121E+01 .15891184E+01 .14941834E+01 .14018480E+01 .13125600E+01 |
| 2649 |
.12266766E+01 .11444678E+01 .10661213E+01 .99174936E+00 .92139498E+00 |
| 2650 |
.85504034E+00 .79261477E+00 .73400336E+00 .67905551E+00 .62759336E+00 |
| 2651 |
.57941985E+00 .53432639E+00 .49209973E+00 .45252826E+00 .41540736E+00 |
| 2652 |
.38054389E+00 .34775980E+00 .31689471E+00 .28780770E+00 .26037813E+00 |
| 2653 |
.23450569E+00 .21010971E+00 .18712783E+00 .16551415E+00 .14523693E+00 |
| 2654 |
.12627598E+00 .10861987E+00 .92263068E-01 .77203056E-01 .63437602E-01 |
| 2655 |
.50962234E-01 .39767981E-01 .29839474E-01 .21153417E-01 .13677481E-01 |
| 2656 |
.73696341E-02 .21778907E-02 -.19595132E-02 -.51135603E-02 -.73635388E-02 |
| 2657 |
-.87958246E-02 -.95024151E-02 -.95792707E-02 -.91245303E-02 -.82366629E-02 |
| 2658 |
-.70126172E-02 -.55460307E-02 -.39255516E-02 -.22333231E-02 -.54367111E-03 |
| 2659 |
.10779713E-02 .25758793E-02 .39045755E-02 .50290887E-02 .59249343E-02 |
| 2660 |
.65778287E-02 .69831577E-02 .71452240E-02 .70763059E-02 .67955637E-02 |
| 2661 |
Real Space Part |
| 2662 |
.00000000E+00 .23584444E+01 .46905809E+01 .69705668E+01 .91734793E+01 |
| 2663 |
.11275748E+02 .13255558E+02 .15093213E+02 .16771445E+02 .18275680E+02 |
| 2664 |
.19594235E+02 .20718452E+02 .21642774E+02 .22364748E+02 .22884966E+02 |
| 2665 |
.23206950E+02 .23336969E+02 .23283822E+02 .23058561E+02 .22674189E+02 |
| 2666 |
.22145325E+02 .21487856E+02 .20718572E+02 .19854810E+02 .18914098E+02 |
| 2667 |
.17913820E+02 .16870901E+02 .15801528E+02 .14720895E+02 .13643000E+02 |
| 2668 |
.12580468E+02 .11544435E+02 .10544456E+02 .95884707E+01 .86828003E+01 |
| 2669 |
.78321846E+01 .70398518E+01 .63076171E+01 .56360052E+01 .50243916E+01 |
| 2670 |
.44711564E+01 .39738471E+01 .35293436E+01 .31340209E+01 .27839065E+01 |
| 2671 |
.24748267E+01 .22025405E+01 .19628579E+01 .17517407E+01 .15653850E+01 |
| 2672 |
.14002853E+01 .12532803E+01 .11215805E+01 .10027809E+01 .89485770E+00 |
| 2673 |
.79615357E+00 .70535222E+00 .62144491E+00 .54369142E+00 .47157738E+00 |
| 2674 |
.40477041E+00 .34307664E+00 .28639943E+00 .23470160E+00 .18797213E+00 |
| 2675 |
.14619822E+00 .10934294E+00 .77328764E-01 .50026788E-01 .27251291E-01 |
| 2676 |
.87591178E-02 -.57467833E-02 -.16610463E-01 -.24213511E-01 -.28963878E-01 |
| 2677 |
-.31283785E-01 -.31597457E-01 -.30319360E-01 -.27843477E-01 -.24534068E-01 |
| 2678 |
-.20718243E-01 -.16680503E-01 -.12659360E-01 -.88459612E-02 -.53846167E-02 |
| 2679 |
-.23749991E-02 .12423795E-03 .20907329E-02 .35329050E-02 .44839862E-02 |
| 2680 |
.49959065E-02 .51333191E-02 .49680098E-02 .45738887E-02 .40227146E-02 |
| 2681 |
.33806453E-02 .27056586E-02 .20458418E-02 .14385027E-02 .91002329E-03 |
| 2682 |
Reciprocal Space Part |
| 2683 |
.00000000E+00 .29272926E+00 .57843399E+00 .85023484E+00 .11015397E+01 |
| 2684 |
.13261794E+01 .15185341E+01 .16736479E+01 .17873284E+01 .18562306E+01 |
| 2685 |
.18779215E+01 .18509255E+01 .17747492E+01 .16498856E+01 .14777963E+01 |
| 2686 |
.12608754E+01 .10023919E+01 .70641614E+00 .37772921E+00 .21718724E-01 |
| 2687 |
-.35573657E+00 -.74839098E+00 -.11497619E+01 -.15532628E+01 -.19523357E+01 |
| 2688 |
-.23405817E+01 -.27118843E+01 -.30605258E+01 -.33812917E+01 -.36695632E+01 |
| 2689 |
-.39213948E+01 -.41335755E+01 -.43036740E+01 -.44300652E+01 -.45119403E+01 |
| 2690 |
-.45492988E+01 -.45429232E+01 -.44943396E+01 -.44057620E+01 -.42800250E+01 |
| 2691 |
-.41205058E+01 -.39310365E+01 -.37158106E+01 -.34792853E+01 -.32260817E+01 |
| 2692 |
-.29608856E+01 -.26883505E+01 -.24130063E+01 -.21391741E+01 -.18708888E+01 |
| 2693 |
-.16118327E+01 -.13652790E+01 -.11340470E+01 -.92047055E+00 -.72637731E+00 |
| 2694 |
-.55308185E+00 -.40138970E+00 -.27161305E+00 -.16359660E+00 -.76752772E-01 |
| 2695 |
-.10104639E-01 .37664549E-01 .68156995E-01 .83202612E-01 .84799534E-01 |
| 2696 |
.75054428E-01 .56124091E-01 .30159711E-01 -.74497392E-03 -.34600541E-01 |
| 2697 |
-.69562879E-01 -.10396763E+00 -.13635759E+00 -.16550280E+00 -.19041323E+00 |
| 2698 |
-.21034427E+00 -.22479520E+00 -.23350134E+00 -.23642027E+00 -.23371303E+00 |
| 2699 |
-.22572115E+00 -.21294033E+00 -.19599172E+00 -.17559194E+00 -.15252250E+00 |
| 2700 |
-.12759976E+00 -.10164610E+00 -.75463148E-01 -.49807632E-01 -.25370407E-01 |
| 2701 |
-.27590838E-02 .17515510E-01 .35048873E-01 .49548366E-01 .60834843E-01 |
| 2702 |
.68840593E-01 .73603904E-01 .75260639E-01 .74033291E-01 .70218015E-01 |
| 2703 |
Real Space Part |
| 2704 |
.00000000E+00 -.44565316E+01 -.88736793E+01 -.13212431E+02 -.17434518E+02 |
| 2705 |
-.21502784E+02 -.25381550E+02 -.29036977E+02 -.32437420E+02 -.35553771E+02 |
| 2706 |
-.38359789E+02 -.40832411E+02 -.42952041E+02 -.44702811E+02 -.46072803E+02 |
| 2707 |
-.47054238E+02 -.47643617E+02 -.47841801E+02 -.47654050E+02 -.47089992E+02 |
| 2708 |
-.46163524E+02 -.44892661E+02 -.43299301E+02 -.41408940E+02 -.39250314E+02 |
| 2709 |
-.36854984E+02 -.34256876E+02 -.31491766E+02 -.28596733E+02 -.25609588E+02 |
| 2710 |
-.22568287E+02 -.19510342E+02 -.16472240E+02 -.13488886E+02 -.10593077E+02 |
| 2711 |
-.78150297E+01 -.51819498E+01 -.27176791E+01 -.44240695E+00 .16275384E+01 |
| 2712 |
.34798180E+01 .51061276E+01 .65021612E+01 .76674960E+01 .86054018E+01 |
| 2713 |
.93225838E+01 .98288640E+01 .10136814E+02 .10261344E+02 .10219273E+02 |
| 2714 |
.10028865E+02 .97093782E+01 .92806093E+01 .87624554E+01 .81745059E+01 |
| 2715 |
.75356666E+01 .68638280E+01 .61755803E+01 .54859812E+01 .48083782E+01 |
| 2716 |
.41542863E+01 .35333200E+01 .29531777E+01 .24196742E+01 .19368174E+01 |
| 2717 |
.15069225E+01 .11307583E+01 .80771818E+00 .53600812E+00 .31284662E+00 |
| 2718 |
.13466788E+00 -.26769640E-02 -.10372651E+00 -.17322843E+00 -.21597563E+00 |
| 2719 |
-.23666226E+00 -.23976167E+00 -.22942775E+00 -.20941978E+00 -.18305043E+00 |
| 2720 |
-.15315567E+00 -.12208482E+00 -.91708380E-01 -.63441081E-01 -.38277137E-01 |
| 2721 |
-.16834879E-01 .59226634E-03 .13981221E-01 .23523731E-01 .29572128E-01 |
| 2722 |
.32588335E-01 .33097637E-01 .31648362E-01 .28778214E-01 .24987606E-01 |
| 2723 |
.20720005E-01 .16348990E-01 .12171480E-01 .84063741E-02 .51977359E-02 |
| 2724 |
PAW radial sets |
| 2725 |
323 0.699084555240741423 |
| 2726 |
(5E20.12) |
| 2727 |
augmentation charges (non sperical) |
| 2728 |
-.610085085999E-01 -.186338196202E-02 -.286321339088E-01 .165933387291E-01 -.186338196202E-02 |
| 2729 |
-.601132130549E-04 .464666195505E-04 .217264853682E-03 -.286321339088E-01 .464666195505E-04 |
| 2730 |
.535065865316E-01 .383319399150E-03 .165933387291E-01 .217264853682E-03 .383319399150E-03 |
| 2731 |
.119224496368E-02 |
| 2732 |
uccopancies in atom |
| 2733 |
.200000000005E+01 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 2734 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 2735 |
.666666666439E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 2736 |
.000000000000E+00 |
| 2737 |
grid |
| 2738 |
.266163843696E-04 .274818827895E-04 .283755250589E-04 .292982263456E-04 .302509315762E-04 |
| 2739 |
.312346164042E-04 .322502882088E-04 .332989871268E-04 .343817871173E-04 .354997970623E-04 |
| 2740 |
.366541619016E-04 .378460638057E-04 .390767233863E-04 .403474009463E-04 .416593977706E-04 |
| 2741 |
.430140574586E-04 .444127673002E-04 .458569596965E-04 .473481136267E-04 .488877561628E-04 |
| 2742 |
.504774640331E-04 .521188652376E-04 .538136407145E-04 .555635260619E-04 .573703133154E-04 |
| 2743 |
.592358527830E-04 .611620549401E-04 .631508923861E-04 .652044018643E-04 .673246863478E-04 |
| 2744 |
.695139171933E-04 .717743363644E-04 .741082587279E-04 .765180744243E-04 .790062513153E-04 |
| 2745 |
.815753375116E-04 .842279639819E-04 .869668472475E-04 .897947921642E-04 .927146947948E-04 |
| 2746 |
.957295453747E-04 .988424313742E-04 .102056540661E-03 .105375164763E-03 .108801702242E-03 |
| 2747 |
.112339662172E-03 .115992667733E-03 .119764459921E-03 .123658901382E-03 .127679980364E-03 |
| 2748 |
.131831814803E-03 .136118656540E-03 .140544895676E-03 .145115065067E-03 .149833844965E-03 |
| 2749 |
.154706067814E-03 .159736723194E-03 .164930962938E-03 .170294106401E-03 .175831645909E-03 |
| 2750 |
.181549252388E-03 .187452781165E-03 .193548277971E-03 .199841985127E-03 .206340347939E-03 |
| 2751 |
.213050021297E-03 .219977876495E-03 .227131008261E-03 .234516742027E-03 .242142641430E-03 |
| 2752 |
.250016516057E-03 .258146429445E-03 .266540707334E-03 .275207946198E-03 .284157022049E-03 |
| 2753 |
.293397099521E-03 .302937641261E-03 .312788417618E-03 .322959516647E-03 .333461354443E-03 |
| 2754 |
.344304685805E-03 .355500615252E-03 .367060608395E-03 .378996503676E-03 .391320524495E-03 |
| 2755 |
.404045291726E-03 .417183836643E-03 .430749614264E-03 .444756517131E-03 .459218889537E-03 |
| 2756 |
.474151542213E-03 .489569767503E-03 .505489355015E-03 .521926607798E-03 .538898359036E-03 |
| 2757 |
.556421989285E-03 .574515444273E-03 .593197253280E-03 .612486548111E-03 .632403082688E-03 |
| 2758 |
.652967253285E-03 .674200119407E-03 .696123425367E-03 .718759622544E-03 .742131892384E-03 |
| 2759 |
.766264170131E-03 .791181169349E-03 .816908407220E-03 .843472230686E-03 .870899843422E-03 |
| 2760 |
.899219333701E-03 .928459703155E-03 .958650896478E-03 .989823832089E-03 .102201043380E-02 |
| 2761 |
.105524366350E-02 .108955755493E-02 .112498724850E-02 .116156902732E-02 .119934035433E-02 |
| 2762 |
.123833991067E-02 .127860763528E-02 .132018476584E-02 .136311388097E-02 .140743894383E-02 |
| 2763 |
.145320534715E-02 .150045995974E-02 .154925117444E-02 .159962895772E-02 .165164490084E-02 |
| 2764 |
.170535227266E-02 .176080607424E-02 .181806309510E-02 .187718197144E-02 .193822324615E-02 |
| 2765 |
.200124943084E-02 .206632506983E-02 .213351680625E-02 .220289345031E-02 .227452604977E-02 |
| 2766 |
.234848796266E-02 .242485493244E-02 .250370516557E-02 .258511941158E-02 .266918104576E-02 |
| 2767 |
.275597615457E-02 .284559362380E-02 .293812522956E-02 .303366573230E-02 .313231297384E-02 |
| 2768 |
.323416797759E-02 .333933505196E-02 .344792189722E-02 .356003971581E-02 .367580332615E-02 |
| 2769 |
.379533128031E-02 .391874598535E-02 .404617382872E-02 .417774530766E-02 .431359516287E-02 |
| 2770 |
.445386251646E-02 .459869101447E-02 .474822897393E-02 .490262953478E-02 .506205081668E-02 |
| 2771 |
.522665608097E-02 .539661389781E-02 .557209831886E-02 .575328905551E-02 .594037166289E-02 |
| 2772 |
.613353772995E-02 .633298507563E-02 .653891795142E-02 .675154725060E-02 .697109072414E-02 |
| 2773 |
.719777320374E-02 .743182683208E-02 .767349130052E-02 .792301409459E-02 .818065074744E-02 |
| 2774 |
.844666510152E-02 .872132957877E-02 .900492545962E-02 .929774317102E-02 .960008258391E-02 |
| 2775 |
.991225332026E-02 .102345750702E-01 .105673779193E-01 .109110026869E-01 .112658012746E-01 |
| 2776 |
.116321370274E-01 .120103851049E-01 .124009328662E-01 .128041802665E-01 .132205402662E-01 |
| 2777 |
.136504392545E-01 .140943174853E-01 .145526295289E-01 .150258447369E-01 .155144477228E-01 |
| 2778 |
.160189388589E-01 .165398347883E-01 .170776689537E-01 .176329921445E-01 .182063730601E-01 |
| 2779 |
.187983988927E-01 .194096759284E-01 .200408301684E-01 .206925079697E-01 .213653767074E-01 |
| 2780 |
.220601254578E-01 .227774657044E-01 .235181320663E-01 .242828830506E-01 .250725018290E-01 |
| 2781 |
.258877970402E-01 .267296036178E-01 .275987836452E-01 .284962272388E-01 .294228534593E-01 |
| 2782 |
.303796112527E-01 .313674804228E-01 .323874726339E-01 .334406324470E-01 .345280383900E-01 |
| 2783 |
.356508040616E-01 .368100792718E-01 .380070512198E-01 .392429457094E-01 .405190284047E-01 |
| 2784 |
.418366061258E-01 .431970281875E-01 .446016877807E-01 .460520233998E-01 .475495203150E-01 |
| 2785 |
.490957120941E-01 .506921821726E-01 .523405654753E-01 .540425500908E-01 .557998790001E-01 |
| 2786 |
.576143518615E-01 .594878268538E-01 .614222225791E-01 .634195200277E-01 .654817646066E-01 |
| 2787 |
.676110682346E-01 .698096115046E-01 .720796459171E-01 .744234961856E-01 .768435626176E-01 |
| 2788 |
.793423235727E-01 .819223380004E-01 .845862480609E-01 .873367818310E-01 .901767560975E-01 |
| 2789 |
.931090792423E-01 .961367542205E-01 .992628816359E-01 .102490662916E+00 .105823403591E+00 |
| 2790 |
.109264516679E+00 .112817526180E+00 .116486070686E+00 .120273907107E+00 .124184914520E+00 |
| 2791 |
.128223098136E+00 .132392593410E+00 .136697670269E+00 .141142737487E+00 .145732347202E+00 |
| 2792 |
.150471199575E+00 .155364147606E+00 .160416202100E+00 .165632536802E+00 .171018493697E+00 |
| 2793 |
.176579588473E+00 .182321516178E+00 .188250157047E+00 .194371582528E+00 .200692061494E+00 |
| 2794 |
.207218066668E+00 .213956281250E+00 .220913605761E+00 .228097165108E+00 .235514315885E+00 |
| 2795 |
.243172653901E+00 .251080021964E+00 .259244517910E+00 .267674502897E+00 .276378609965E+00 |
| 2796 |
.285365752880E+00 .294645135264E+00 .304226260013E+00 .314118939037E+00 .324333303303E+00 |
| 2797 |
.334879813214E+00 .345769269317E+00 .357012823366E+00 .368621989744E+00 .380608657251E+00 |
| 2798 |
.392985101282E+00 .405763996398E+00 .418958429304E+00 .432581912251E+00 .446648396878E+00 |
| 2799 |
.461172288493E+00 .476168460830E+00 .491652271281E+00 .507639576621E+00 .524146749247E+00 |
| 2800 |
.541190693946E+00 .558788865208E+00 .576959285097E+00 .595720561711E+00 .615091908236E+00 |
| 2801 |
.635093162626E+00 .655744807911E+00 .677067993181E+00 .699084555241E+00 .721817040975E+00 |
| 2802 |
.745288730434E+00 .769523660679E+00 .794546650398E+00 |
| 2803 |
aepotential |
| 2804 |
.383317401350E+05 .370760521630E+05 .358215427817E+05 .345723614372E+05 .333329235581E+05 |
| 2805 |
.321072411919E+05 .308989386383E+05 .297112470463E+05 .285470076453E+05 .274086798574E+05 |
| 2806 |
.262983535166E+05 .252177644407E+05 .241683130613E+05 .231510852278E+05 .221668746907E+05 |
| 2807 |
.212162067494E+05 .202993625032E+05 .194164032472E+05 .185671946044E+05 .177514300587E+05 |
| 2808 |
.169686535705E+05 .162182810557E+05 .154996205585E+05 .148118909766E+05 .141542392477E+05 |
| 2809 |
.135257560060E+05 .129254896671E+05 .123524589625E+05 .118056640518E+05 .112840961958E+05 |
| 2810 |
.107867460148E+05 .103126107938E+05 .986070033795E+04 .943004200499E+04 .901968485448E+04 |
| 2811 |
.862870276244E+04 .825619708807E+04 .790129849413E+04 .756316831746E+04 .724099943751E+04 |
| 2812 |
.693401678227E+04 .664147745305E+04 .636267057252E+04 .609691689646E+04 .584356827969E+04 |
| 2813 |
.560200695715E+04 .537164466484E+04 .515192177660E+04 .494230629451E+04 .474229278168E+04 |
| 2814 |
.455140136800E+04 .436917663011E+04 .419518652364E+04 .402902138329E+04 .387029279002E+04 |
| 2815 |
.371863253072E+04 .357369179155E+04 .343513992726E+04 .330266368403E+04 .317596636331E+04 |
| 2816 |
.305476672301E+04 .293879844635E+04 .282780911686E+04 .272155961227E+04 .261982329965E+04 |
| 2817 |
.252238545902E+04 .242904250854E+04 .233960151475E+04 .225387951953E+04 .217170307075E+04 |
| 2818 |
.209290762256E+04 .201733712284E+04 .194484348396E+04 .187528618728E+04 .180853185036E+04 |
| 2819 |
.174445383460E+04 .168293188934E+04 .162385178535E+04 .156710500646E+04 .151258842233E+04 |
| 2820 |
.146020400231E+04 .140985854502E+04 .136146340998E+04 .131493427670E+04 .127019091146E+04 |
| 2821 |
.122715695065E+04 .118575969310E+04 .114592990721E+04 .110760164901E+04 .107071208076E+04 |
| 2822 |
.103520132763E+04 .100101229465E+04 .968090551732E+03 .936384173502E+03 .905843624873E+03 |
| 2823 |
.876421626702E+03 .848073052039E+03 .820754808212E+03 .794425739614E+03 .769046524597E+03 |
| 2824 |
.744579591633E+03 .720989023054E+03 .698240480930E+03 .676301124330E+03 .655139537739E+03 |
| 2825 |
.634725661561E+03 .615030725674E+03 .596027188030E+03 .577688674777E+03 .559989924704E+03 |
| 2826 |
.542906737097E+03 .526415920536E+03 .510495246165E+03 .495123402472E+03 .480279952596E+03 |
| 2827 |
.465945293766E+03 .452100619670E+03 .438727882504E+03 .425809760163E+03 .413329622066E+03 |
| 2828 |
.401271498932E+03 .389620052484E+03 .378360547788E+03 .367478826286E+03 .356961280721E+03 |
| 2829 |
.346794830362E+03 .336966898773E+03 .327465391112E+03 .318278674497E+03 .309395556619E+03 |
| 2830 |
.300805268514E+03 .292497445394E+03 .284462110100E+03 .276689656664E+03 .269170834721E+03 |
| 2831 |
.261896734731E+03 .254858773865E+03 .248048682373E+03 .241458490845E+03 .235080517842E+03 |
| 2832 |
.228907358231E+03 .222931871878E+03 .217147172978E+03 .211546619837E+03 .206123805074E+03 |
| 2833 |
.200872546185E+03 .195786876778E+03 .190861037791E+03 .186089469450E+03 .181466803375E+03 |
| 2834 |
.176987855056E+03 .172647616682E+03 .168441250263E+03 .164364080974E+03 .160411590899E+03 |
| 2835 |
.156579412924E+03 .152863324933E+03 .149259244204E+03 .145763222136E+03 .142371439012E+03 |
| 2836 |
.139080199145E+03 .135885926133E+03 .132785158305E+03 .129774544362E+03 .126850839236E+03 |
| 2837 |
.124010899974E+03 .121251681982E+03 .118570235228E+03 .115963700738E+03 .113429307103E+03 |
| 2838 |
.110964367262E+03 .108566275250E+03 .106232503230E+03 .103960598509E+03 .101748180767E+03 |
| 2839 |
.995929393180E+02 .974926305371E+02 .954450753531E+02 .934481568477E+02 .914998179451E+02 |
| 2840 |
.895980592072E+02 .877409366956E+02 .859265599431E+02 .841530899713E+02 .824187374331E+02 |
| 2841 |
.807217607940E+02 .790604646145E+02 .774331978845E+02 .758383524512E+02 .742743614975E+02 |
| 2842 |
.727396980970E+02 .712328738357E+02 .697524374914E+02 .682969737885E+02 .668651022009E+02 |
| 2843 |
.654554758266E+02 .640667803164E+02 .626977328633E+02 .613470812491E+02 .600136029490E+02 |
| 2844 |
.586961042929E+02 .573934196797E+02 .561044108453E+02 .548279661925E+02 .535630001670E+02 |
| 2845 |
.523084526805E+02 .510632886094E+02 .498264973080E+02 .485970922131E+02 .473741104651E+02 |
| 2846 |
.461566125988E+02 .449436822753E+02 .437344260616E+02 .425279732599E+02 .413234757805E+02 |
| 2847 |
.401201080623E+02 .389170670348E+02 .377135721249E+02 .365088653029E+02 .353022111734E+02 |
| 2848 |
.340928970973E+02 .328802333592E+02 .316635533635E+02 .304422138675E+02 .292155952447E+02 |
| 2849 |
.279831017783E+02 .267441619801E+02 .254982289382E+02 .242447806833E+02 .229833205798E+02 |
| 2850 |
.217133777326E+02 .204345074131E+02 .191462914991E+02 .178483389287E+02 .165402861685E+02 |
| 2851 |
.152217976926E+02 .138925664776E+02 .125523145105E+02 .112007933164E+02 .983778450878E+01 |
| 2852 |
.846310036873E+01 .707658446486E+01 .567811232366E+01 .426759216912E+01 .284496575141E+01 |
| 2853 |
.141020929284E+01 -.366654156141E-01 -.149560972345E+01 -.296653658322E+01 -.444931870035E+01 |
| 2854 |
-.594378629039E+01 -.744972434548E+01 -.896686929182E+01 -.104949048950E+02 -.120334572435E+02 |
| 2855 |
-.135820886085E+02 -.151402899440E+02 -.167074717553E+02 -.182829530266E+02 -.198659478663E+02 |
| 2856 |
-.214555495031E+02 -.230507112591E+02 -.246502241472E+02 -.262526908046E+02 -.278564956091E+02 |
| 2857 |
-.294597710474E+02 -.310603607592E+02 -.326557801918E+02 -.342431765070E+02 -.358192903045E+02 |
| 2858 |
-.373804228649E+02 -.389224139265E+02 -.404406363995E+02 -.419300157173E+02 -.433850824888E+02 |
| 2859 |
-.448000674747E+02 -.461690474478E+02 -.474861491702E+02 -.487458171466E+02 -.499431492767E+02 |
| 2860 |
-.510743075199E+02 -.521370165321E+02 -.531311804649E+02 -.540596711832E+02 -.549293630873E+02 |
| 2861 |
-.557524764820E+02 -.565481668190E+02 -.573439201000E+02 -.581754998773E+02 -.590828862883E+02 |
| 2862 |
-.600984575072E+02 -.612246894042E+02 -.624054073495E+02 -.635079321979E+02 -.643429503546E+02 |
| 2863 |
-.647341328244E+02 -.646074102868E+02 -.640374460998E+02 -.632091682825E+02 -.623198210793E+02 |
| 2864 |
-.614972752813E+02 -.607833039180E+02 -.601643928333E+02 -.596083077577E+02 -.590852924460E+02 |
| 2865 |
-.585747945374E+02 -.580649267477E+02 -.575497821306E+02 -.570268364802E+02 -.564950806221E+02 |
| 2866 |
-.559539033021E+02 -.554025550570E+02 -.548399930324E+02 -.542649352801E+02 -.536760011707E+02 |
| 2867 |
-.530718627739E+02 -.524513698695E+02 -.518136362967E+02 -.511580889113E+02 -.504844862598E+02 |
| 2868 |
-.497929152047E+02 -.490837727492E+02 -.483577385574E+02 |
| 2869 |
core charge-density |
| 2870 |
.210201471976E-05 .224075664592E-05 .238865458685E-05 .254631262205E-05 .271437467066E-05 |
| 2871 |
.289352711738E-05 .308450161127E-05 .328807804893E-05 .350508775400E-05 .373641686609E-05 |
| 2872 |
.398300995265E-05 .424587385875E-05 .452608181007E-05 .482477778602E-05 .514318118056E-05 |
| 2873 |
.548259176971E-05 .584439500577E-05 .623006765990E-05 .664118383576E-05 .707942137855E-05 |
| 2874 |
.754656870563E-05 .804453208605E-05 .857534339869E-05 .914116840034E-05 .974431553701E-05 |
| 2875 |
.103872453343E-04 .110725804047E-04 .118031161120E-04 .125818319365E-04 .134119035859E-04 |
| 2876 |
.142967159018E-04 .152398766133E-04 .162452309925E-04 .173168774727E-04 .184591842904E-04 |
| 2877 |
.196768072185E-04 .209747084634E-04 .223581767995E-04 .238328490247E-04 .254047328205E-04 |
| 2878 |
.270802311103E-04 .288661680134E-04 .307698164969E-04 .327989278389E-04 .349617630191E-04 |
| 2879 |
.372671261631E-04 .397244001732E-04 .423435846899E-04 .451353365329E-04 .481110127855E-04 |
| 2880 |
.512827166925E-04 .546633465537E-04 .582666478101E-04 .621072685268E-04 .662008184941E-04 |
| 2881 |
.705639321818E-04 .752143357953E-04 .801709186982E-04 .854538094856E-04 .910844570067E-04 |
| 2882 |
.970857166572E-04 .103481942281E-03 .110299084044E-03 .117564792660E-03 .125308530387E-03 |
| 2883 |
.133561689217E-03 .142357716729E-03 .151732250102E-03 .161723258793E-03 .172371196456E-03 |
| 2884 |
.183719162681E-03 .195813075181E-03 .208701853104E-03 .222437612158E-03 .237075872332E-03 |
| 2885 |
.252675778986E-03 .269300338178E-03 .287016667117E-03 .305896260713E-03 .326015275242E-03 |
| 2886 |
.347454830188E-03 .370301329441E-03 .394646803036E-03 .420589270757E-03 .448233128946E-03 |
| 2887 |
.477689562001E-03 .509076980088E-03 .542521484709E-03 .578157363861E-03 .616127618631E-03 |
| 2888 |
.656584523168E-03 .699690220109E-03 .745617353632E-03 .794549742481E-03 .846683095389E-03 |
| 2889 |
.902225771526E-03 .961399588699E-03 .102444068224E-02 .109160041766E-02 .116314636027E-02 |
| 2890 |
.123936330534E-02 .132055437229E-02 .140704216687E-02 .149917001532E-02 .159730327486E-02 |
| 2891 |
.170183072500E-02 .181316604445E-02 .193174937867E-02 .205804900338E-02 .219256308964E-02 |
| 2892 |
.233582157635E-02 .248838815641E-02 .265086238310E-02 .282388190341E-02 .300812482576E-02 |
| 2893 |
.320431222944E-02 .341321082396E-02 .363563576644E-02 .387245364601E-02 .412458564415E-02 |
| 2894 |
.439301088078E-02 .467876995601E-02 .498296869806E-02 .530678212831E-02 .565145865486E-02 |
| 2895 |
.601832450658E-02 .640878841994E-02 .682434659150E-02 .726658790948E-02 .773719947818E-02 |
| 2896 |
.823797244965E-02 .877080817735E-02 .933772470722E-02 .994086362171E-02 .105824972531E-01 |
| 2897 |
.112650362829E-01 .119910377433E-01 .127632134399E-01 .135844388111E-01 .144577622441E-01 |
| 2898 |
.153864148634E-01 .163738208122E-01 .174236080432E-01 .185396196377E-01 .197259256706E-01 |
| 2899 |
.209868356391E-01 .223269114720E-01 .237509811369E-01 .252641528593E-01 .268718299708E-01 |
| 2900 |
.285797263970E-01 .303938828004E-01 .323206833847E-01 .343668733724E-01 .365395771581E-01 |
| 2901 |
.388463171429E-01 .412950332480E-01 .438941031033E-01 .466523629042E-01 .495791289213E-01 |
| 2902 |
.526842196464E-01 .559779785495E-01 .594712974148E-01 .631756402191E-01 .671030675022E-01 |
| 2903 |
.712662611768E-01 .756785497076E-01 .803539335844E-01 .853071109979E-01 .905535036149E-01 |
| 2904 |
.961092823336E-01 .101991392886E+00 .108217581135E+00 .114806417891E+00 .121777323066E+00 |
| 2905 |
.129150588943E+00 .136947402324E+00 .145189865301E+00 .153901014352E+00 .163104837444E+00 |
| 2906 |
.172826288805E+00 .183091300959E+00 .193926793635E+00 .205360679071E+00 .217421863247E+00 |
| 2907 |
.230140242492E+00 .243546694913E+00 .257673066026E+00 .272552147933E+00 .288217651336E+00 |
| 2908 |
.304704169664E+00 .322047134505E+00 .340282761512E+00 .359447985923E+00 .379580386761E+00 |
| 2909 |
.400718098759E+00 .422899711034E+00 .446164151471E+00 .470550555773E+00 .496098120117E+00 |
| 2910 |
.522845936323E+00 .550832808460E+00 .580097049822E+00 .610676259202E+00 .642607075471E+00 |
| 2911 |
.675924909479E+00 .710663652389E+00 .746855359642E+00 .784529909868E+00 .823714638198E+00 |
| 2912 |
.864433943582E+00 .906708869968E+00 .950556661362E+00 .995990291124E+00 .104301796611E+01 |
| 2913 |
.109164260662E+01 .114186130363E+01 .119366475488E+01 .124703668237E+01 .130195323380E+01 |
| 2914 |
.135838237157E+01 .141628325299E+01 .147560560672E+01 .153628911031E+01 .159826277524E+01 |
| 2915 |
.166144434602E+01 .172573972093E+01 .179104240281E+01 .185723298887E+01 .192417870953E+01 |
| 2916 |
.199173302679E+01 .205973530355E+01 .212801055564E+01 .219636929928E+01 .226460750671E+01 |
| 2917 |
.233250668330E+01 .239983407940E+01 .246634305053E+01 .253177357856E+01 .259585296684E+01 |
| 2918 |
.265829672076E+01 .271880962463E+01 .277708702399E+01 .283281632099E+01 .288567868813E+01 |
| 2919 |
.293535100324E+01 .298150800565E+01 .302382467008E+01 .306197879136E+01 .309565376868E+01 |
| 2920 |
.312454157393E+01 .314834588399E+01 .316678535168E+01 .317959698537E+01 .318653960172E+01 |
| 2921 |
.318739731108E+01 .318198299002E+01 .317014169081E+01 .315175393296E+01 .312673881878E+01 |
| 2922 |
.309505691121E+01 .305671281039E+01 .301175736428E+01 .296028944858E+01 .290245725290E+01 |
| 2923 |
.283845901318E+01 .276854313492E+01 .269300765859E+01 .261219902697E+01 .252651012442E+01 |
| 2924 |
.243637757071E+01 .234227826612E+01 .224472520064E+01 .214426255778E+01 .204146016233E+01 |
| 2925 |
.193690734109E+01 .183120628548E+01 .172496502364E+01 .161879013072E+01 .151327931436E+01 |
| 2926 |
.140901403108E+01 .130655229498E+01 .120642184091E+01 .110911380351E+01 .101507706536E+01 |
| 2927 |
.924713415287E+00 .838373638738E+00 .756354633201E+00 .678897594052E+00 .606187236400E+00 |
| 2928 |
.538351896408E+00 .475464205924E+00 .417541937254E+00 .364548734839E+00 .316394938044E+00 |
| 2929 |
.272939426364E+00 .233993809082E+00 .199329712305E+00 .168688507967E+00 .141791603202E+00 |
| 2930 |
.118349382811E+00 .980680113325E-01 .806544733117E-01 .658206202508E-01 .532867336649E-01 |
| 2931 |
.427847431325E-01 .340610365648E-01 .268787587943E-01 .210195270993E-01 .162845404577E-01 |
| 2932 |
.124951006767E-01 .949259334725E-02 .713799599173E-02 .531099208522E-02 .390877477541E-02 |
| 2933 |
.284462447957E-02 .204634106180E-02 .145460473349E-02 .102133087525E-02 .708073374340E-03 |
| 2934 |
.484519560765E-03 .327108148624E-03 .217790419037E-03 |
| 2935 |
kinetic energy-density |
| 2936 |
.187149272566E-01 .190029016528E-01 .193021383520E-01 .196131445331E-01 .199364668482E-01 |
| 2937 |
.202726831041E-01 .206224041703E-01 .209862753360E-01 .213649778729E-01 .217592307042E-01 |
| 2938 |
.221697921893E-01 .225974620544E-01 .230430834585E-01 .235075452233E-01 .239917842237E-01 |
| 2939 |
.244967879609E-01 .250235973262E-01 .255733095592E-01 .261470814287E-01 .267461326327E-01 |
| 2940 |
.273717494355E-01 .280252885669E-01 .287081813606E-01 .294219382048E-01 .301681532636E-01 |
| 2941 |
.309485095218E-01 .317647841490E-01 .326188542310E-01 .335127028323E-01 .344484255235E-01 |
| 2942 |
.354282371948E-01 .364544794691E-01 .375296284508E-01 .386563030240E-01 .398372736687E-01 |
| 2943 |
.410754718683E-01 .423740000125E-01 .437361420645E-01 .451653748014E-01 .466653797901E-01 |
| 2944 |
.482400561570E-01 .498935341207E-01 .516301894220E-01 .534546586408E-01 .553718554950E-01 |
| 2945 |
.573869882016E-01 .595055778913E-01 .617334782350E-01 .640768963281E-01 .665424148420E-01 |
| 2946 |
.691370156842E-01 .718681050854E-01 .747435402840E-01 .777716580423E-01 .809613048245E-01 |
| 2947 |
.843218689283E-01 .878633147711E-01 .915962193527E-01 .955318108150E-01 .996820098605E-01 |
| 2948 |
.104059473466E+00 .108677641585E+00 .113550786803E+00 .118694067089E+00 .124123581995E+00 |
| 2949 |
.129856432521E+00 .135910784469E+00 .142305936459E+00 .149062391504E+00 .156201933897E+00 |
| 2950 |
.163747710518E+00 .171724317478E+00 .180157892402E+00 .189076212387E+00 .198508798378E+00 |
| 2951 |
.208487026104E+00 .219044244082E+00 .230215899162E+00 .242039670048E+00 .254555609264E+00 |
| 2952 |
.267806294183E+00 .281836987641E+00 .296695808659E+00 .312433914112E+00 .329105691757E+00 |
| 2953 |
.346768965584E+00 .365485214034E+00 .385319802119E+00 .406342228041E+00 .428626385361E+00 |
| 2954 |
.452250841902E+00 .477299135691E+00 .503860089876E+00 .532028147324E+00 .561903725927E+00 |
| 2955 |
.593593596265E+00 .627211282887E+00 .662877490414E+00 .700720556173E+00 .740876931071E+00 |
| 2956 |
.783491690049E+00 .828719074092E+00 .876723065934E+00 .927678000833E+00 .981769215175E+00 |
| 2957 |
.103919373456E+01 .110016100428E+01 .116489366388E+01 .123362836932E+01 .130661666466E+01 |
| 2958 |
.138412590656E+01 .146644024463E+01 .155386166052E+01 .164671106948E+01 .174532948751E+01 |
| 2959 |
.185007926809E+01 .196134541224E+01 .207953695573E+01 .220508843837E+01 .233846145866E+01 |
| 2960 |
.248014631989E+01 .263066377108E+01 .279056684906E+01 .296044282603E+01 .314091526877E+01 |
| 2961 |
.333264621471E+01 .353633847128E+01 .375273804390E+01 .398263670078E+01 .422687467799E+01 |
| 2962 |
.448634353582E+01 .476198916903E+01 .505481498233E+01 .536588523522E+01 .569632856593E+01 |
| 2963 |
.604734170172E+01 .642019336275E+01 .681622836857E+01 .723687195545E+01 .768363431125E+01 |
| 2964 |
.815811533885E+01 .866200965348E+01 .919711182443E+01 .976532186826E+01 .103686510014E+02 |
| 2965 |
.110092276605E+02 .116893037974E+02 .124112614561E+02 .131776196376E+02 .139910414599E+02 |
| 2966 |
.148543416164E+02 .157704941386E+02 .167426404663E+02 .177740978254E+02 .188683679172E+02 |
| 2967 |
.200291459156E+02 .212603297708E+02 .225660298148E+02 .239505786611E+02 .254185413897E+02 |
| 2968 |
.269747260040E+02 .286241941448E+02 .303722720411E+02 .322245616746E+02 .341869521299E+02 |
| 2969 |
.362656310986E+02 .384670964953E+02 .407981681485E+02 .432659995054E+02 .458780893047E+02 |
| 2970 |
.486422931402E+02 .515668348501E+02 .546603176435E+02 .579317348741E+02 .613904803553E+02 |
| 2971 |
.650463581030E+02 .689095913788E+02 .729908308934E+02 .773011620136E+02 .818521108089E+02 |
| 2972 |
.866556487471E+02 .917241958441E+02 .970706220433E+02 .102708246595E+03 .108650835174E+03 |
| 2973 |
.114912594467E+03 .121508163936E+03 .128452604432E+03 .135761383343E+03 .143450355903E+03 |
| 2974 |
.151535742297E+03 .160034100166E+03 .168962292084E+03 .178337447588E+03 .188176919311E+03 |
| 2975 |
.198498232731E+03 .209319029088E+03 .220657000954E+03 .232529819984E+03 .244955056327E+03 |
| 2976 |
.257950089232E+03 .271532008341E+03 .285717505210E+03 .300522754616E+03 .315963285221E+03 |
| 2977 |
.332053839245E+03 .348808220795E+03 .366239132631E+03 .384358001152E+03 .403174789553E+03 |
| 2978 |
.422697799137E+03 .442933458957E+03 .463886104051E+03 .485557742726E+03 .507947813511E+03 |
| 2979 |
.531052932602E+03 .554866632844E+03 .579379095524E+03 .604576876521E+03 .630442628632E+03 |
| 2980 |
.656954822183E+03 .684087466359E+03 .711809833998E+03 .740086192954E+03 .768875547433E+03 |
| 2981 |
.798131393124E+03 .827801490198E+03 .857827658668E+03 .888145600844E+03 .918684755966E+03 |
| 2982 |
.949368192307E+03 .980112542272E+03 .101082798616E+04 .104141829035E+04 .107178090569E+04 |
| 2983 |
.110180713178E+04 .113138235255E+04 .116038634853E+04 .118869369036E+04 .121617421790E+04 |
| 2984 |
.124269360841E+04 .126811403643E+04 .129229492698E+04 .131509380267E+04 .133636722370E+04 |
| 2985 |
.135597181862E+04 .137376540192E+04 .138960817268E+04 .140336398711E+04 .141490169540E+04 |
| 2986 |
.142409653185E+04 .143083154490E+04 .143499905206E+04 .143650210272E+04 .143525593026E+04 |
| 2987 |
.143118937310E+04 .142424624329E+04 .141438661985E+04 .140158804370E+04 .138584659017E+04 |
| 2988 |
.136717779557E+04 .134561741424E+04 .132122198382E+04 .129406917745E+04 .126425792364E+04 |
| 2989 |
.123190827657E+04 .119716102241E+04 .116017701014E+04 .112113619867E+04 .108023641603E+04 |
| 2990 |
.103769182992E+04 .993731133613E+03 .948595455686E+03 .902536007070E+03 .855811484921E+03 |
| 2991 |
.808685259103E+03 .761422374678E+03 .714286418279E+03 .667536262337E+03 .621422839436E+03 |
| 2992 |
.576185893199E+03 .532050869837E+03 .489225992577E+03 .447899597254E+03 .408237795951E+03 |
| 2993 |
.370382528452E+03 .334450063979E+03 .300530043795E+03 .268685225931E+03 .238952207524E+03 |
| 2994 |
.211343498908E+03 .185851228955E+03 .162452188076E+03 .141112750295E+03 .121791110838E+03 |
| 2995 |
.104434777422E+03 .889742185649E+02 .753170557585E+02 .633476452647E+02 .529332849578E+02 |
| 2996 |
.439337166174E+02 .362092956323E+02 .296256559217E+02 .240555383153E+02 .193793214078E+02 |
| 2997 |
.154852579587E+02 .122697443525E+02 .963761241955E+01 .750235296988E+01 .578620180549E+01 |
| 2998 |
.442005836368E+01 .334323786417E+01 .250307633395E+01 .185441692586E+01 .135900893055E+01 |
| 2999 |
.984850383892E+00 .705502793867E+00 .499403134414E+00 .349194331708E+00 .241091270573E+00 |
| 3000 |
.164295079104E+00 .110464301462E+00 .732477232375E-01 |
| 3001 |
pspotential |
| 3002 |
-.688889563991E+02 -.688859867412E+02 -.688831106037E+02 -.688803250462E+02 -.688776272155E+02 |
| 3003 |
-.688750143495E+02 -.688724837717E+02 -.688700328911E+02 -.688676591977E+02 -.688653602608E+02 |
| 3004 |
-.688631337259E+02 -.688609773126E+02 -.688588888128E+02 -.688568660880E+02 -.688549070663E+02 |
| 3005 |
-.688530097420E+02 -.688511721715E+02 -.688493924735E+02 -.688476688255E+02 -.688459994619E+02 |
| 3006 |
-.688443826738E+02 -.688428168048E+02 -.688413002519E+02 -.688398314619E+02 -.688384089307E+02 |
| 3007 |
-.688370312015E+02 -.688356968633E+02 -.688344045501E+02 -.688331529381E+02 -.688319407457E+02 |
| 3008 |
-.688307667317E+02 -.688296296939E+02 -.688285284677E+02 -.688274619257E+02 -.688264289758E+02 |
| 3009 |
-.688254285599E+02 -.688244596540E+02 -.688235212658E+02 -.688226124343E+02 -.688217322292E+02 |
| 3010 |
-.688208797490E+02 -.688200541209E+02 -.688192544994E+02 -.688184800661E+02 -.688177300278E+02 |
| 3011 |
-.688170036167E+02 -.688163000890E+02 -.688156187246E+02 -.688149588259E+02 -.688143197171E+02 |
| 3012 |
-.688137007442E+02 -.688131012737E+02 -.688125206918E+02 -.688119584042E+02 -.688114138354E+02 |
| 3013 |
-.688108864282E+02 -.688103756429E+02 -.688098809565E+02 -.688094018632E+02 -.688089378725E+02 |
| 3014 |
-.688084885101E+02 -.688080533160E+02 -.688076318451E+02 -.688072236665E+02 -.688068283628E+02 |
| 3015 |
-.688064455298E+02 -.688060747762E+02 -.688057157231E+02 -.688053680035E+02 -.688050312622E+02 |
| 3016 |
-.688047051553E+02 -.688043893497E+02 -.688040835233E+02 -.688037873638E+02 -.688035005692E+02 |
| 3017 |
-.688032228471E+02 -.688029539143E+02 -.688026934969E+02 -.688024413298E+02 -.688021971563E+02 |
| 3018 |
-.688019607282E+02 -.688017318051E+02 -.688015101547E+02 -.688012955520E+02 -.688010877797E+02 |
| 3019 |
-.688008866271E+02 -.688006918910E+02 -.688005033747E+02 -.688003208880E+02 -.688001442470E+02 |
| 3020 |
-.687999732743E+02 -.687998077983E+02 -.687996476534E+02 -.687994926793E+02 -.687993427220E+02 |
| 3021 |
-.687991976321E+02 -.687990572661E+02 -.687989214854E+02 -.687987901564E+02 -.687986631505E+02 |
| 3022 |
-.687985403441E+02 -.687984216179E+02 -.687983068576E+02 -.687981959533E+02 -.687980887993E+02 |
| 3023 |
-.687979852948E+02 -.687978853428E+02 -.687977888509E+02 -.687976957307E+02 -.687976058980E+02 |
| 3024 |
-.687975192728E+02 -.687974357789E+02 -.687973553444E+02 -.687972779013E+02 -.687972033858E+02 |
| 3025 |
-.687971317377E+02 -.687970629013E+02 -.687969968247E+02 -.687969334599E+02 -.687968727634E+02 |
| 3026 |
-.687968146954E+02 -.687967592203E+02 -.687967063072E+02 -.687966559290E+02 -.687966080633E+02 |
| 3027 |
-.687965626919E+02 -.687965198015E+02 -.687964793834E+02 -.687964414333E+02 -.687964059529E+02 |
| 3028 |
-.687963729482E+02 -.687963424307E+02 -.687963144176E+02 -.687962889318E+02 -.687962660020E+02 |
| 3029 |
-.687962456634E+02 -.687962279573E+02 -.687962129321E+02 -.687962006431E+02 -.687961911532E+02 |
| 3030 |
-.687961845329E+02 -.687961808611E+02 -.687961802249E+02 -.687961827209E+02 -.687961884551E+02 |
| 3031 |
-.687961975430E+02 -.687962101115E+02 -.687962262982E+02 -.687962462524E+02 -.687962701361E+02 |
| 3032 |
-.687962981243E+02 -.687963304059E+02 -.687963671847E+02 -.687964086798E+02 -.687964551267E+02 |
| 3033 |
-.687965067786E+02 -.687965639071E+02 -.687966268030E+02 -.687966957780E+02 -.687967711656E+02 |
| 3034 |
-.687968533224E+02 -.687969426296E+02 -.687970394944E+02 -.687971443510E+02 -.687972576630E+02 |
| 3035 |
-.687973799246E+02 -.687975116623E+02 -.687976534371E+02 -.687978058460E+02 -.687979695244E+02 |
| 3036 |
-.687981451479E+02 -.687983334348E+02 -.687985351483E+02 -.687987510986E+02 -.687989821460E+02 |
| 3037 |
-.687992292029E+02 -.687994932367E+02 -.687997752724E+02 -.688000763957E+02 -.688003977551E+02 |
| 3038 |
-.688007405658E+02 -.688011061119E+02 -.688014957490E+02 -.688019109084E+02 -.688023530983E+02 |
| 3039 |
-.688028239076E+02 -.688033250079E+02 -.688038581565E+02 -.688044251982E+02 -.688050280672E+02 |
| 3040 |
-.688056687886E+02 -.688063494797E+02 -.688070723499E+02 -.688078397012E+02 -.688086539268E+02 |
| 3041 |
-.688095175087E+02 -.688104330157E+02 -.688114030976E+02 -.688124304797E+02 -.688135179554E+02 |
| 3042 |
-.688146683756E+02 -.688158846362E+02 -.688171696637E+02 -.688185263960E+02 -.688199577609E+02 |
| 3043 |
-.688214666496E+02 -.688230558862E+02 -.688247281917E+02 -.688264861406E+02 -.688283321139E+02 |
| 3044 |
-.688302682412E+02 -.688322963363E+02 -.688344178226E+02 -.688366336488E+02 -.688389441915E+02 |
| 3045 |
-.688413491467E+02 -.688438474061E+02 -.688464369177E+02 -.688491145307E+02 -.688518758209E+02 |
| 3046 |
-.688547148965E+02 -.688576241830E+02 -.688605941845E+02 -.688636132213E+02 -.688666671413E+02 |
| 3047 |
-.688697390053E+02 -.688728087433E+02 -.688758527834E+02 -.688788436509E+02 -.688817495389E+02 |
| 3048 |
-.688845338502E+02 -.688871547130E+02 -.688895644711E+02 -.688917091518E+02 -.688935279164E+02 |
| 3049 |
-.688949524978E+02 -.688959066317E+02 -.688963054887E+02 -.688960551185E+02 -.688950519153E+02 |
| 3050 |
-.688931821176E+02 -.688903213577E+02 -.688863342755E+02 -.688810742143E+02 -.688743830182E+02 |
| 3051 |
-.688660909491E+02 -.688560167451E+02 -.688439678398E+02 -.688297407627E+02 -.688131217405E+02 |
| 3052 |
-.687938875149E+02 -.687718063933E+02 -.687466395421E+02 -.687181425318E+02 -.686860671328E+02 |
| 3053 |
-.686501633622E+02 -.686101817683E+02 -.685658759377E+02 -.685170052013E+02 -.684633375073E+02 |
| 3054 |
-.684046524231E+02 -.683407442210E+02 -.682714249958E+02 -.681965277544E+02 -.681159094160E+02 |
| 3055 |
-.680294536485E+02 -.679370734684E+02 -.678387135183E+02 -.677343519329E+02 -.676240016930E+02 |
| 3056 |
-.675077113559E+02 -.673855650367E+02 -.672576814981E+02 -.671242121853E+02 -.669853380203E+02 |
| 3057 |
-.668412647466E+02 -.666922165917E+02 -.665384279966E+02 -.663801331537E+02 -.662175531029E+02 |
| 3058 |
-.660508801689E+02 -.658802595975E+02 -.657057683725E+02 -.655273913819E+02 -.653449953790E+02 |
| 3059 |
-.651583015419E+02 -.649668578963E+02 -.647700134098E+02 -.645668961557E+02 -.643563985316E+02 |
| 3060 |
-.641371729807E+02 -.639076418840E+02 -.636660250861E+02 -.634103877206E+02 -.631387094822E+02 |
| 3061 |
-.628489742078E+02 -.625392757157E+02 -.622079326486E+02 -.618536021106E+02 -.614753798876E+02 |
| 3062 |
-.610728746490E+02 -.606462452159E+02 -.601961937686E+02 -.597239132786E+02 -.592309935141E+02 |
| 3063 |
-.587192955012E+02 -.581908081958E+02 -.576475026417E+02 -.570911979412E+02 -.565234504120E+02 |
| 3064 |
-.559454731997E+02 -.553580892927E+02 -.547617171356E+02 -.541563853081E+02 -.535413959031E+02 |
| 3065 |
-.529440596403E+02 -.523371726302E+02 -.517437282672E+02 -.511316376789E+02 -.504857670576E+02 |
| 3066 |
-.498097462626E+02 -.491001980528E+02 -.483609990814E+02 |
| 3067 |
core charge-density (pseudized) |
| 3068 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3069 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3070 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3071 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3072 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3073 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3074 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3075 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3076 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3077 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3078 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3079 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3080 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3081 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3082 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3083 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3084 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3085 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3086 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3087 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3088 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3089 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3090 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3091 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3092 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3093 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3094 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3095 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3096 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3097 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3098 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3099 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3100 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3101 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3102 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3103 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3104 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3105 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3106 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3107 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3108 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3109 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3110 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3111 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3112 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3113 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3114 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3115 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3116 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3117 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3118 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3119 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3120 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3121 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3122 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3123 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3124 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3125 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3126 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3127 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3128 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3129 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3130 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3131 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3132 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 3133 |
pseudo wavefunction |
| 3134 |
.717870223758E-04 .741213572537E-04 .765315988782E-04 .790202155471E-04 .815897558215E-04 |
| 3135 |
.842428511349E-04 .869822184888E-04 .898106632347E-04 .927310819471E-04 .957464653899E-04 |
| 3136 |
.988599015791E-04 .102074578945E-03 .105393789599E-03 .108820932702E-03 .112359517948E-03 |
| 3137 |
.116013169158E-03 .119785627989E-03 .123680757769E-03 .127702547451E-03 .131855115698E-03 |
| 3138 |
.136142715104E-03 .140569736545E-03 .145140713676E-03 .149860327579E-03 .154733411549E-03 |
| 3139 |
.159764956050E-03 .164960113823E-03 .170324205164E-03 .175862723369E-03 .181581340366E-03 |
| 3140 |
.187485912517E-03 .193582486619E-03 .199877306096E-03 .206376817394E-03 .213087676578E-03 |
| 3141 |
.220016756154E-03 .227171152104E-03 .234558191154E-03 .242185438276E-03 .250060704436E-03 |
| 3142 |
.258192054594E-03 .266587815961E-03 .275256586530E-03 .284207243875E-03 .293448954252E-03 |
| 3143 |
.302991181977E-03 .312843699121E-03 .323016595522E-03 .333520289111E-03 .344365536584E-03 |
| 3144 |
.355563444420E-03 .367125480251E-03 .379063484606E-03 .391389683042E-03 .404116698657E-03 |
| 3145 |
.417257565021E-03 .430825739524E-03 .444835117154E-03 .459300044732E-03 .474235335597E-03 |
| 3146 |
.489656284785E-03 .505578684683E-03 .522018841210E-03 .538993590510E-03 .556520316196E-03 |
| 3147 |
.574616967150E-03 .593302075909E-03 .612594777639E-03 .632514829730E-03 .653082632036E-03 |
| 3148 |
.674319247758E-03 .696246425021E-03 .718886619138E-03 .742263015616E-03 .766399553891E-03 |
| 3149 |
.791320951847E-03 .817052731131E-03 .843621243284E-03 .871053696732E-03 .899378184647E-03 |
| 3150 |
.928623713715E-03 .958820233842E-03 .989998668827E-03 .102219094803E-02 .105543003905E-02 |
| 3151 |
.108974998154E-02 .112518592198E-02 .116177414977E-02 .119955213430E-02 .123855856337E-02 |
| 3152 |
.127883338282E-02 .132041783739E-02 .136335451299E-02 .140768738032E-02 .145346183985E-02 |
| 3153 |
.150072476836E-02 .154952456692E-02 .159991121047E-02 .165193629897E-02 .170565311025E-02 |
| 3154 |
.176111665459E-02 .181838373103E-02 .187751298552E-02 .193856497102E-02 .200160220943E-02 |
| 3155 |
.206668925571E-02 .213389276389E-02 .220328155539E-02 .227492668944E-02 .234890153590E-02 |
| 3156 |
.242528185032E-02 .250414585157E-02 .258557430190E-02 .266965058962E-02 .275646081454E-02 |
| 3157 |
.284609387606E-02 .293864156425E-02 .303419865378E-02 .313286300101E-02 .323473564415E-02 |
| 3158 |
.333992090671E-02 .344852650429E-02 .356066365493E-02 .367644719288E-02 .379599568624E-02 |
| 3159 |
.391943155828E-02 .404688121284E-02 .417847516365E-02 .431434816801E-02 .445463936466E-02 |
| 3160 |
.459949241628E-02 .474905565649E-02 .490348224167E-02 .506293030778E-02 .522756313214E-02 |
| 3161 |
.539754930056E-02 .557306287991E-02 .575428359618E-02 .594139701845E-02 .613459474876E-02 |
| 3162 |
.633407461814E-02 .654004088904E-02 .675270446428E-02 .697228310286E-02 .719900164264E-02 |
| 3163 |
.743309223039E-02 .767479455916E-02 .792435611347E-02 .818203242234E-02 .844808732062E-02 |
| 3164 |
.872279321870E-02 .900643138100E-02 .929929221346E-02 .960167556038E-02 .991389101080E-02 |
| 3165 |
.102362582149E-01 .105691072103E-01 .109127787597E-01 .112676246982E-01 .116340082934E-01 |
| 3166 |
.120123046152E-01 .124029009196E-01 .128061970435E-01 .132226058123E-01 .136525534616E-01 |
| 3167 |
.140964800712E-01 .145548400143E-01 .150281024199E-01 .155167516514E-01 .160212877994E-01 |
| 3168 |
.165422271909E-01 .170801029149E-01 .176354653644E-01 .182088827962E-01 .188009419083E-01 |
| 3169 |
.194122484359E-01 .200434277663E-01 .206951255733E-01 .213680084719E-01 .220627646942E-01 |
| 3170 |
.227801047854E-01 .235207623239E-01 .242854946618E-01 .250750836907E-01 .258903366305E-01 |
| 3171 |
.267320868433E-01 .276011946728E-01 .284985483096E-01 .294250646840E-01 .303816903863E-01 |
| 3172 |
.313694026150E-01 .323892101552E-01 .334421543865E-01 .345293103217E-01 .356517876776E-01 |
| 3173 |
.368107319777E-01 .380073256888E-01 .392427893909E-01 .405183829834E-01 .418354069253E-01 |
| 3174 |
.431952035137E-01 .445991581984E-01 .460487009354E-01 .475453075791E-01 .490905013146E-01 |
| 3175 |
.506858541297E-01 .523329883290E-01 .540335780891E-01 .557893510568E-01 .576020899897E-01 |
| 3176 |
.594736344407E-01 .614058824867E-01 .634007925008E-01 .654603849697E-01 .675867443550E-01 |
| 3177 |
.697820209999E-01 .720484330798E-01 .743882685971E-01 .768038874195E-01 .792977233616E-01 |
| 3178 |
.818722863080E-01 .845301643767E-01 .872740261228E-01 .901066227780E-01 .930307905261E-01 |
| 3179 |
.960494528102E-01 .991656226692E-01 .102382405100E+00 .105702999438E+00 .109130701763E+00 |
| 3180 |
.112668907299E+00 .116321112836E+00 .120090919136E+00 .123982033332E+00 .127998271308E+00 |
| 3181 |
.132143560039E+00 .136421939896E+00 .140837566886E+00 .145394714824E+00 .150097777413E+00 |
| 3182 |
.154951270210E+00 .159959832471E+00 .165128228827E+00 .170461350794E+00 .175964218054E+00 |
| 3183 |
.181641979506E+00 .187499914020E+00 .193543430884E+00 .199778069861E+00 .206209500841E+00 |
| 3184 |
.212843523008E+00 .219686063465E+00 .226743175253E+00 .234021034673E+00 .241525937847E+00 |
| 3185 |
.249264296391E+00 .257242632131E+00 .265467570712E+00 .273945833995E+00 .282684231081E+00 |
| 3186 |
.291689647822E+00 .300969034623E+00 .310529392355E+00 .320377756172E+00 .330521176968E+00 |
| 3187 |
.340966700246E+00 .351721342092E+00 .362792061937E+00 .374185731763E+00 .385909101372E+00 |
| 3188 |
.397968759274E+00 .410371088750E+00 .423122218558E+00 .436227967737E+00 .449693783864E+00 |
| 3189 |
.463524674112E+00 .477725128349E+00 .492299033480E+00 .507249578134E+00 .522579146740E+00 |
| 3190 |
.538289201953E+00 .554380154284E+00 .570851217722E+00 .587700250025E+00 .604923576284E+00 |
| 3191 |
.622515794241E+00 .640469559787E+00 .658775350959E+00 .677421208693E+00 .696392452526E+00 |
| 3192 |
.715671369429E+00 .735236873906E+00 .755064137588E+00 .775124186577E+00 .795383465008E+00 |
| 3193 |
.815803363485E+00 .836339711416E+00 .856942232728E+00 .877553965049E+00 .898110643238E+00 |
| 3194 |
.918540049169E+00 .938761330896E+00 .958684295874E+00 .978208684778E+00 .997223434628E+00 |
| 3195 |
.101560594258E+01 .103322134468E+01 .104992182737E+01 .106554599325E+01 .107991830700E+01 |
| 3196 |
.109284865167E+01 .110413203038E+01 .111354845314E+01 .112086305318E+01 .112582648089E+01 |
| 3197 |
.112815826033E+01 .112766526986E+01 .112429219396E+01 .111806470671E+01 .110902663553E+01 |
| 3198 |
.109723971270E+01 .108278313973E+01 .106575297316E+01 |
| 3199 |
ae wavefunction |
| 3200 |
-.435742517947E-03 -.449893177036E-03 -.464503226381E-03 -.479587570063E-03 -.495161595061E-03 |
| 3201 |
-.511241186854E-03 -.527842745526E-03 -.544983202382E-03 -.562680037106E-03 -.580951295461E-03 |
| 3202 |
-.599815607567E-03 -.619292206750E-03 -.639400949017E-03 -.660162333128E-03 -.681597521339E-03 |
| 3203 |
-.703728360783E-03 -.726577405556E-03 -.750167939497E-03 -.774523999699E-03 -.799670400771E-03 |
| 3204 |
-.825632759880E-03 -.852437522580E-03 -.880111989478E-03 -.908684343740E-03 -.938183679480E-03 |
| 3205 |
-.968640031044E-03 -.100008440323E-02 -.103254880249E-02 -.106606626906E-02 -.110067091020E-02 |
| 3206 |
-.113639793438E-02 -.117328368669E-02 -.121136568521E-02 -.125068265865E-02 -.129127458513E-02 |
| 3207 |
-.133318273222E-02 -.137644969815E-02 -.142111945447E-02 -.146723738990E-02 -.151485035564E-02 |
| 3208 |
-.156400671213E-02 -.161475637720E-02 -.166715087575E-02 -.172124339103E-02 -.177708881751E-02 |
| 3209 |
-.183474381533E-02 -.189426686652E-02 -.195571833299E-02 -.201916051623E-02 -.208465771892E-02 |
| 3210 |
-.215227630849E-02 -.222208478256E-02 -.229415383644E-02 -.236855643275E-02 -.244536787308E-02 |
| 3211 |
-.252466587200E-02 -.260653063319E-02 -.269104492797E-02 -.277829417628E-02 -.286836652997E-02 |
| 3212 |
-.296135295881E-02 -.305734733898E-02 -.315644654424E-02 -.325875053997E-02 -.336436247986E-02 |
| 3213 |
-.347338880566E-02 -.358593934981E-02 -.370212744121E-02 -.382207001408E-02 -.394588772003E-02 |
| 3214 |
-.407370504355E-02 -.420565042075E-02 -.434185636172E-02 -.448245957638E-02 -.462760110401E-02 |
| 3215 |
-.477742644658E-02 -.493208570585E-02 -.509173372452E-02 -.525653023127E-02 -.542663999011E-02 |
| 3216 |
-.560223295378E-02 -.578348442162E-02 -.597057520176E-02 -.616369177789E-02 -.636302648065E-02 |
| 3217 |
-.656877766365E-02 -.678114988445E-02 -.700035409032E-02 -.722660780908E-02 -.746013534500E-02 |
| 3218 |
-.770116797996E-02 -.794994417981E-02 -.820670980623E-02 -.847171833394E-02 -.874523107357E-02 |
| 3219 |
-.902751740010E-02 -.931885498706E-02 -.961953004655E-02 -.992983757504E-02 -.102500816052E-01 |
| 3220 |
-.105805754637E-01 -.109216420351E-01 -.112736140315E-01 -.116368342691E-01 -.120116559500E-01 |
| 3221 |
-.123984429509E-01 -.127975701174E-01 -.132094235654E-01 -.136344009872E-01 -.140729119656E-01 |
| 3222 |
-.145253782923E-01 -.149922342937E-01 -.154739271620E-01 -.159709172922E-01 -.164836786248E-01 |
| 3223 |
-.170126989948E-01 -.175584804848E-01 -.181215397845E-01 -.187024085548E-01 -.193016337964E-01 |
| 3224 |
-.199197782231E-01 -.205574206391E-01 -.212151563204E-01 -.218935973989E-01 -.225933732497E-01 |
| 3225 |
-.233151308810E-01 -.240595353255E-01 -.248272700327E-01 -.256190372626E-01 -.264355584778E-01 |
| 3226 |
-.272775747364E-01 -.281458470807E-01 -.290411569250E-01 -.299643064382E-01 -.309161189217E-01 |
| 3227 |
-.318974391810E-01 -.329091338894E-01 -.339520919425E-01 -.350272248024E-01 -.361354668290E-01 |
| 3228 |
-.372777755970E-01 -.384551321973E-01 -.396685415195E-01 -.409190325138E-01 -.422076584303E-01 |
| 3229 |
-.435354970318E-01 -.449036507795E-01 -.463132469854E-01 -.477654379319E-01 -.492614009518E-01 |
| 3230 |
-.508023384670E-01 -.523894779821E-01 -.540240720271E-01 -.557073980463E-01 -.574407582283E-01 |
| 3231 |
-.592254792716E-01 -.610629120806E-01 -.629544313867E-01 -.649014352884E-01 -.669053447033E-01 |
| 3232 |
-.689676027260E-01 -.710896738847E-01 -.732730432877E-01 -.755192156539E-01 -.778297142169E-01 |
| 3233 |
-.802060794943E-01 -.826498679133E-01 -.851626502822E-01 -.877460100970E-01 -.904015416732E-01 |
| 3234 |
-.931308480896E-01 -.959355389333E-01 -.988172278336E-01 -.101777529769E+00 -.104818058135E+00 |
| 3235 |
-.107940421563E+00 -.111146220461E+00 -.114437043280E+00 -.117814462472E+00 -.121280030132E+00 |
| 3236 |
-.124835273308E+00 -.128481688949E+00 -.132220738490E+00 -.136053842035E+00 -.139982372135E+00 |
| 3237 |
-.144007647128E+00 -.148130924032E+00 -.152353390950E+00 -.156676158992E+00 -.161100253670E+00 |
| 3238 |
-.165626605748E+00 -.170256041537E+00 -.174989272593E+00 -.179826884815E+00 -.184769326900E+00 |
| 3239 |
-.189816898153E+00 -.194969735618E+00 -.200227800511E+00 -.205590863939E+00 -.211058491884E+00 |
| 3240 |
-.216630029429E+00 -.222304584222E+00 -.228081009153E+00 -.233957884239E+00 -.239933497701E+00 |
| 3241 |
-.246005826237E+00 -.252172514476E+00 -.258430853626E+00 -.264777759312E+00 -.271209748616E+00 |
| 3242 |
-.277722916340E+00 -.284312910504E+00 -.290974907116E+00 -.297703584239E+00 -.304493095405E+00 |
| 3243 |
-.311337042424E+00 -.318228447646E+00 -.325159725750E+00 -.332122655133E+00 -.339108349001E+00 |
| 3244 |
-.346107226258E+00 -.353108982305E+00 -.360102559894E+00 -.367076120170E+00 -.374017014061E+00 |
| 3245 |
-.380911754200E+00 -.387745987563E+00 -.394504469032E+00 -.401171036125E+00 -.407728585119E+00 |
| 3246 |
-.414159048843E+00 -.420443376428E+00 -.426561515308E+00 -.432492395804E+00 -.438213918634E+00 |
| 3247 |
-.443702945710E+00 -.448935294606E+00 -.453885737104E+00 -.458528002233E+00 -.462834784249E+00 |
| 3248 |
-.466777755996E+00 -.470327588142E+00 -.473453974758E+00 -.476125665740E+00 -.478310506592E+00 |
| 3249 |
-.479975486076E+00 -.481086792249E+00 -.481609877413E+00 -.481509532496E+00 -.480749971371E+00 |
| 3250 |
-.479294925619E+00 -.477107750216E+00 -.474151540602E+00 -.470389261561E+00 -.465783888302E+00 |
| 3251 |
-.460298560072E+00 -.453896746594E+00 -.446542427526E+00 -.438200285079E+00 -.428835909804E+00 |
| 3252 |
-.418416019475E+00 -.406908690835E+00 -.394283603848E+00 -.380512297898E+00 -.365568439236E+00 |
| 3253 |
-.349428098716E+00 -.332070038708E+00 -.313476007769E+00 -.293631041509E+00 -.272523767779E+00 |
| 3254 |
-.250146714166E+00 -.226496615562E+00 -.201574719441E+00 -.175387086446E+00 -.147944883820E+00 |
| 3255 |
-.119264669340E+00 -.893686635019E-01 -.582850078665E-01 -.260480075826E-01 .730164389810E-02 |
| 3256 |
.417166601866E-01 .771429803763E-01 .113519614909E+00 .150778525779E+00 .188844552184E+00 |
| 3257 |
.227635399600E+00 .267061721085E+00 .307027335378E+00 .347429645854E+00 .388160339023E+00 |
| 3258 |
.429106427031E+00 .470151609649E+00 .511177717128E+00 .552065672491E+00 .592695180096E+00 |
| 3259 |
.632942588996E+00 .672677320253E+00 .711758452074E+00 .750033482899E+00 .787340238686E+00 |
| 3260 |
.823511018127E+00 .858377021983E+00 .891771646742E+00 .923532423259E+00 .953502106838E+00 |
| 3261 |
.981529483979E+00 .100747023338E+01 .103118796300E+01 .105255541998E+01 .107145581493E+01 |
| 3262 |
.108778418556E+01 .110144872741E+01 .111237203157E+01 .112049218446E+01 .112576369931E+01 |
| 3263 |
.112815826033E+01 .112766526986E+01 .112429219396E+01 .111806470671E+01 .110902663553E+01 |
| 3264 |
.109723971270E+01 .108278313973E+01 .106575297316E+01 |
| 3265 |
pseudo wavefunction |
| 3266 |
.343855759999E-05 .355037091431E-05 .366582011861E-05 .378502344294E-05 .390810296192E-05 |
| 3267 |
.403518471972E-05 .416639885916E-05 .430187975496E-05 .444176615139E-05 .458620130432E-05 |
| 3268 |
.473533312795E-05 .488931434630E-05 .504830264954E-05 .521246085559E-05 .538195707675E-05 |
| 3269 |
.555696489195E-05 .573766352444E-05 .592423802539E-05 .611687946334E-05 .631578511993E-05 |
| 3270 |
.652115869188E-05 .673321049961E-05 .695215770267E-05 .717822452205E-05 .741164246986E-05 |
| 3271 |
.765265058641E-05 .790149568498E-05 .815843260462E-05 .842372447107E-05 .869764296629E-05 |
| 3272 |
.898046860662E-05 .927249103011E-05 .957400929309E-05 .988533217644E-05 .102067785018E-04 |
| 3273 |
.105386774582E-04 .108813689389E-04 .112352038896E-04 .116005446680E-04 .119777654148E-04 |
| 3274 |
.123672524366E-04 .127694046018E-04 .131846337490E-04 .136133651087E-04 .140560377388E-04 |
| 3275 |
.145131049742E-04 .149850348913E-04 .154723107868E-04 .159754316731E-04 .164949127894E-04 |
| 3276 |
.170312861287E-04 .175851009835E-04 .181569245074E-04 .187473422966E-04 .193569589894E-04 |
| 3277 |
.199863988852E-04 .206363065839E-04 .213073476463E-04 .220002092752E-04 .227156010196E-04 |
| 3278 |
.234542555009E-04 .242169291636E-04 .250044030495E-04 .258174835978E-04 .266570034709E-04 |
| 3279 |
.275238224070E-04 .284188281007E-04 .293429371118E-04 .302970958040E-04 .312822813141E-04 |
| 3280 |
.322995025525E-04 .333498012366E-04 .344342529572E-04 .355539682800E-04 .367100938833E-04 |
| 3281 |
.379038137315E-04 .391363502881E-04 .404089657674E-04 .417229634265E-04 .430796889008E-04 |
| 3282 |
.444805315809E-04 .459269260360E-04 .474203534828E-04 .489623433018E-04 .505544746039E-04 |
| 3283 |
.521983778470E-04 .538957365056E-04 .556482887945E-04 .574578294490E-04 .593262115619E-04 |
| 3284 |
.612553484816E-04 .632472157708E-04 .653038532291E-04 .674273669822E-04 .696199316373E-04 |
| 3285 |
.718837925106E-04 .742212679252E-04 .766347515854E-04 .791267150267E-04 .816997101468E-04 |
| 3286 |
.843563718176E-04 .870994205827E-04 .899316654427E-04 .928560067304E-04 .958754390803E-04 |
| 3287 |
.989930544934E-04 .102212045502E-03 .105535708440E-03 .108967446812E-03 .112510774780E-03 |
| 3288 |
.116169320763E-03 .119946831142E-03 .123847174103E-03 .127874343589E-03 .132032463391E-03 |
| 3289 |
.136325791364E-03 .140758723789E-03 .145335799862E-03 .150061706349E-03 .154941282370E-03 |
| 3290 |
.159979524357E-03 .165181591158E-03 .170552809320E-03 .176098678529E-03 .181824877239E-03 |
| 3291 |
.187737268477E-03 .193841905835E-03 .200145039660E-03 .206653123444E-03 .213372820413E-03 |
| 3292 |
.220311010347E-03 .227474796596E-03 .234871513348E-03 .242508733111E-03 .250394274453E-03 |
| 3293 |
.258536209979E-03 .266942874576E-03 .275622873916E-03 .284585093239E-03 .293838706418E-03 |
| 3294 |
.303393185310E-03 .313258309418E-03 .323444175857E-03 .333961209642E-03 .344820174308E-03 |
| 3295 |
.356032182868E-03 .367608709128E-03 .379561599355E-03 .391903084331E-03 .404645791781E-03 |
| 3296 |
.417802759207E-03 .431387447123E-03 .445413752722E-03 .459896023967E-03 .474849074139E-03 |
| 3297 |
.490288196839E-03 .506229181472E-03 .522688329216E-03 .539682469498E-03 .557228976984E-03 |
| 3298 |
.575345789108E-03 .594051424152E-03 .613364999882E-03 .633306252776E-03 .653895557846E-03 |
| 3299 |
.675153949069E-03 .697103140461E-03 .719765547788E-03 .743164310953E-03 .767323317057E-03 |
| 3300 |
.792267224172E-03 .818021485824E-03 .844612376222E-03 .872067016233E-03 .900413400142E-03 |
| 3301 |
.929680423194E-03 .959897909947E-03 .991096643458E-03 .102330839531E-02 .105656595649E-02 |
| 3302 |
.109090316917E-02 .112635495935E-02 .116295737043E-02 .120074759770E-02 .123976402378E-02 |
| 3303 |
.128004625494E-02 .132163515849E-02 .136457290103E-02 .140890298774E-02 .145467030259E-02 |
| 3304 |
.150192114958E-02 .155070329491E-02 .160106601018E-02 .165306011643E-02 .170673802930E-02 |
| 3305 |
.176215380493E-02 .181936318694E-02 .187842365412E-02 .193939446909E-02 .200233672767E-02 |
| 3306 |
.206731340898E-02 .213438942628E-02 .220363167832E-02 .227510910123E-02 .234889272086E-02 |
| 3307 |
.242505570531E-02 .250367341765E-02 .258482346872E-02 .266858576958E-02 .275504258375E-02 |
| 3308 |
.284427857874E-02 .293638087674E-02 .303143910420E-02 .312954543990E-02 .323079466121E-02 |
| 3309 |
.333528418807E-02 .344311412431E-02 .355438729574E-02 .366920928440E-02 .378768845849E-02 |
| 3310 |
.390993599701E-02 .403606590856E-02 .416619504321E-02 .430044309660E-02 .443893260498E-02 |
| 3311 |
.458178893018E-02 .472914023288E-02 .488111743283E-02 .503785415421E-02 .519948665428E-02 |
| 3312 |
.536615373310E-02 .553799662213E-02 .571515884885E-02 .589778607469E-02 .608602590282E-02 |
| 3313 |
.628002765238E-02 .647994209485E-02 .668592114830E-02 .689811752438E-02 .711668432243E-02 |
| 3314 |
.734177456465E-02 .757354066520E-02 .781213382564E-02 .805770334804E-02 .831039585610E-02 |
| 3315 |
.857035441362E-02 .883771752832E-02 .911261802757E-02 .939518179119E-02 .968552632449E-02 |
| 3316 |
.998375915303E-02 .102899760181E-01 .106042588496E-01 .109266734901E-01 .112572671412E-01 |
| 3317 |
.115960654985E-01 .119430695398E-01 .122982519240E-01 .126615529556E-01 .130328760625E-01 |
| 3318 |
.134120827296E-01 .137989868226E-01 .141933482297E-01 .145948657392E-01 .150031690611E-01 |
| 3319 |
.154178098909E-01 .158382518989E-01 .162638595185E-01 .166938853859E-01 .171274562738E-01 |
| 3320 |
.175635573352E-01 .180010144584E-01 .184384745075E-01 .188743831996E-01 .193069603411E-01 |
| 3321 |
.197341721149E-01 .201537000800E-01 .205629065081E-01 .209587956454E-01 .213379704514E-01 |
| 3322 |
.216965843224E-01 .220302872721E-01 .223341659983E-01 .226026772302E-01 .228295737141E-01 |
| 3323 |
.230078221730E-01 .231295125546E-01 .231857578830E-01 .231665840450E-01 .230608088842E-01 |
| 3324 |
.228559100556E-01 .225378812130E-01 .220910762784E-01 .214980417913E-01 .207393376687E-01 |
| 3325 |
.197933471468E-01 .186360772443E-01 .172409518109E-01 .155786001262E-01 .136166451323E-01 |
| 3326 |
.113194967438E-01 .864815731154E-02 .556004826093E-02 .200886919547E-02 -.205549662129E-02 |
| 3327 |
-.668701351940E-02 -.119434412162E-01 -.178861753538E-01 -.245799531729E-01 -.320923928314E-01 |
| 3328 |
-.404933311070E-01 -.498539208502E-01 -.602454469396E-01 -.717378181025E-01 -.843976923881E-01 |
| 3329 |
-.982572463524E-01 -.113431938710E+00 -.129962815882E+00 -.147925476302E+00 -.167397789939E+00 |
| 3330 |
-.188460087115E+00 -.211195414457E+00 -.235689872331E+00 |
| 3331 |
ae wavefunction |
| 3332 |
-.655609122826E-05 -.676899905707E-05 -.698881876848E-05 -.721577460561E-05 -.745009807708E-05 |
| 3333 |
-.769202819182E-05 -.794181170128E-05 -.819970334956E-05 -.846596613143E-05 -.874087155877E-05 |
| 3334 |
-.902469993540E-05 -.931774064088E-05 -.962029242330E-05 -.993266370149E-05 -.102551728769E-04 |
| 3335 |
-.105881486555E-04 -.109319303798E-04 -.112868683719E-04 -.116533242870E-04 -.120316714784E-04 |
| 3336 |
-.124222953746E-04 -.128255938674E-04 -.132419777136E-04 -.136718709483E-04 -.141157113126E-04 |
| 3337 |
-.145739506937E-04 -.150470555800E-04 -.155355075299E-04 -.160398036561E-04 -.165604571246E-04 |
| 3338 |
-.170979976704E-04 -.176529721286E-04 -.182259449831E-04 -.188174989321E-04 -.194282354715E-04 |
| 3339 |
-.200587754973E-04 -.207097599266E-04 -.213818503374E-04 -.220757296304E-04 -.227921027095E-04 |
| 3340 |
-.235316971854E-04 -.242952641000E-04 -.250835786742E-04 -.258974410793E-04 -.267376772313E-04 |
| 3341 |
-.276051396118E-04 -.285007081127E-04 -.294252909085E-04 -.303798253547E-04 -.313652789153E-04 |
| 3342 |
-.323826501176E-04 -.334329695376E-04 -.345173008153E-04 -.356367417016E-04 -.367924251370E-04 |
| 3343 |
-.379855203641E-04 -.392172340733E-04 -.404888115843E-04 -.418015380630E-04 -.431567397764E-04 |
| 3344 |
-.445557853843E-04 -.460000872716E-04 -.474911029196E-04 -.490303363191E-04 -.506193394267E-04 |
| 3345 |
-.522597136637E-04 -.539531114602E-04 -.557012378455E-04 -.575058520856E-04 -.593687693689E-04 |
| 3346 |
-.612918625421E-04 -.632770638971E-04 -.653263670098E-04 -.674418286331E-04 -.696255706450E-04 |
| 3347 |
-.718797820523E-04 -.742067210534E-04 -.766087171588E-04 -.790881733733E-04 -.816475684398E-04 |
| 3348 |
-.842894591464E-04 -.870164826988E-04 -.898313591585E-04 -.927368939490E-04 -.957359804318E-04 |
| 3349 |
-.988316025516E-04 -.102026837556E-03 -.105324858785E-03 -.108728938541E-03 -.112242451028E-03 |
| 3350 |
-.115868875379E-03 -.119611798746E-03 -.123474919492E-03 -.127462050444E-03 -.131577122245E-03 |
| 3351 |
-.135824186777E-03 -.140207420684E-03 -.144731128964E-03 -.149399748666E-03 -.154217852659E-03 |
| 3352 |
-.159190153505E-03 -.164321507411E-03 -.169616918274E-03 -.175081541821E-03 -.180720689835E-03 |
| 3353 |
-.186539834474E-03 -.192544612684E-03 -.198740830698E-03 -.205134468627E-03 -.211731685146E-03 |
| 3354 |
-.218538822262E-03 -.225562410173E-03 -.232809172212E-03 -.240286029877E-03 -.248000107945E-03 |
| 3355 |
-.255958739656E-03 -.264169471988E-03 -.272640070992E-03 -.281378527207E-03 -.290393061126E-03 |
| 3356 |
-.299692128739E-03 -.309284427116E-03 -.319178900041E-03 -.329384743692E-03 -.339911412345E-03 |
| 3357 |
-.350768624109E-03 -.361966366669E-03 -.373514903040E-03 -.385424777308E-03 -.397706820349E-03 |
| 3358 |
-.410372155518E-03 -.423432204288E-03 -.436898691816E-03 -.450783652438E-03 -.465099435041E-03 |
| 3359 |
-.479858708330E-03 -.495074465933E-03 -.510760031337E-03 -.526929062624E-03 -.543595556979E-03 |
| 3360 |
-.560773854929E-03 -.578478644299E-03 -.596724963824E-03 -.615528206394E-03 -.634904121890E-03 |
| 3361 |
-.654868819544E-03 -.675438769809E-03 -.696630805649E-03 -.718462123219E-03 -.740950281862E-03 |
| 3362 |
-.764113203357E-03 -.787969170353E-03 -.812536823912E-03 -.837835160080E-03 -.863883525392E-03 |
| 3363 |
-.890701611245E-03 -.918309447002E-03 -.946727391760E-03 -.975976124644E-03 -.100607663352E-02 |
| 3364 |
-.103705020200E-02 -.106891839458E-02 -.110170303984E-02 -.113542621144E-02 -.117011020683E-02 |
| 3365 |
-.120577752349E-02 -.124245083250E-02 -.128015294925E-02 -.131890680108E-02 -.135873539162E-02 |
| 3366 |
-.139966176162E-02 -.144170894603E-02 -.148489992701E-02 -.152925758270E-02 -.157480463127E-02 |
| 3367 |
-.162156357022E-02 -.166955661033E-02 -.171880560409E-02 -.176933196815E-02 -.182115659954E-02 |
| 3368 |
-.187429978504E-02 -.192878110354E-02 -.198461932073E-02 -.204183227580E-02 -.210043675960E-02 |
| 3369 |
-.216044838374E-02 -.222188144014E-02 -.228474875047E-02 -.234906150491E-02 -.241482908954E-02 |
| 3370 |
-.248205890193E-02 -.255075615403E-02 -.262092366194E-02 -.269256162168E-02 -.276566737035E-02 |
| 3371 |
-.284023513193E-02 -.291625574691E-02 -.299371638508E-02 -.307260024061E-02 -.315288620865E-02 |
| 3372 |
-.323454854268E-02 -.331755649172E-02 -.340187391669E-02 -.348745888500E-02 -.357426324264E-02 |
| 3373 |
-.366223216298E-02 -.375130367145E-02 -.384140814546E-02 -.393246778878E-02 -.402439607977E-02 |
| 3374 |
-.411709719292E-02 -.421046539309E-02 -.430438440215E-02 -.439872673758E-02 -.449335302300E-02 |
| 3375 |
-.458811127043E-02 -.468283613456E-02 -.477734813917E-02 -.487145287652E-02 -.496494018016E-02 |
| 3376 |
-.505758327255E-02 -.514913788875E-02 -.523934137790E-02 -.532791178486E-02 -.541454691445E-02 |
| 3377 |
-.549892338155E-02 -.558069565077E-02 -.565949507000E-02 -.573492890299E-02 -.580657936668E-02 |
| 3378 |
-.587400268005E-02 -.593672813220E-02 -.599425717818E-02 -.604606257264E-02 -.609158755219E-02 |
| 3379 |
-.613024507917E-02 -.616141716066E-02 -.618445425853E-02 -.619867480789E-02 -.620336486339E-02 |
| 3380 |
-.619777789497E-02 -.618113475679E-02 -.615262385580E-02 -.611140154893E-02 -.605659280069E-02 |
| 3381 |
-.598729213647E-02 -.590256492957E-02 -.580144906401E-02 -.568295701860E-02 -.554607842196E-02 |
| 3382 |
-.538978313216E-02 -.521302489904E-02 -.501474567204E-02 -.479388062066E-02 -.454936393997E-02 |
| 3383 |
-.428013551813E-02 -.398514854792E-02 -.366337816942E-02 -.331383123541E-02 -.293555729625E-02 |
| 3384 |
-.252766090487E-02 -.208931534729E-02 -.161977790723E-02 -.111840677698E-02 -.584679729454E-03 |
| 3385 |
-.182146683025E-04 .581207825300E-03 .121361982960E-02 .187883918292E-02 .257644022787E-02 |
| 3386 |
.330572207936E-02 .406567429712E-02 .485493984432E-02 .567177521530E-02 .651400761775E-02 |
| 3387 |
.737898909896E-02 .826354751388E-02 .916393424625E-02 .100757686173E-01 .109939789522E-01 |
| 3388 |
.119127403294E-01 .128254091164E-01 .137244545094E-01 .146013874512E-01 .154466875247E-01 |
| 3389 |
.162497287251E-01 .169987054222E-01 .176805603012E-01 .182809164509E-01 .187840155702E-01 |
| 3390 |
.191726625170E-01 .194281718035E-01 .195303036636E-01 .194571691115E-01 .191850840508E-01 |
| 3391 |
.186883725185E-01 .179391559182E-01 .169071927011E-01 .155598196063E-01 .138619906720E-01 |
| 3392 |
.117763573181E-01 .926332827185E-02 .628108658620E-02 .278557796959E-02 -.126950532033E-02 |
| 3393 |
-.593272908570E-02 -.112549051725E-01 -.172890643319E-01 -.240904181795E-01 -.317163150650E-01 |
| 3394 |
-.402261943607E-01 -.496815431480E-01 -.601458588641E-01 -.716846213574E-01 -.843652780355E-01 |
| 3395 |
-.982572463524E-01 -.113431938710E+00 -.129962815882E+00 -.147925476302E+00 -.167397789939E+00 |
| 3396 |
-.188460087115E+00 -.211195414457E+00 -.235689872331E+00 |
| 3397 |
pseudo wavefunction |
| 3398 |
.563540859347E-08 .600786626449E-08 .640494055630E-08 .682825844040E-08 .727955441873E-08 |
| 3399 |
.776067763064E-08 .827359942951E-08 .882042146020E-08 .940338427033E-08 .100248764907E-07 |
| 3400 |
.106874446223E-07 .113938034707E-07 .121468472693E-07 .129496615384E-07 .138055357278E-07 |
| 3401 |
.147179766947E-07 .156907230730E-07 .167277605920E-07 .178333384073E-07 .190119865113E-07 |
| 3402 |
.202685342946E-07 .216081303335E-07 .230362634864E-07 .245587853833E-07 .261819344024E-07 |
| 3403 |
.279123612313E-07 .297571561175E-07 .317238779199E-07 .338205850803E-07 .360558686425E-07 |
| 3404 |
.384388874527E-07 .409794056871E-07 .436878328599E-07 .465752664748E-07 .496535374959E-07 |
| 3405 |
.529352588242E-07 .564338769774E-07 .601637271855E-07 .641400921283E-07 .683792645541E-07 |
| 3406 |
.728986140379E-07 .777166581514E-07 .828531383365E-07 .883291007943E-07 .941669827191E-07 |
| 3407 |
.100390704233E-06 .107025766396E-06 .114099355693E-06 .121640455429E-06 .129679964484E-06 |
| 3408 |
.138250823918E-06 .147388151945E-06 .157129387824E-06 .167514445263E-06 .178585875960E-06 |
| 3409 |
.190389043959E-06 .202972311517E-06 .216387237268E-06 .230688787478E-06 .245935561260E-06 |
| 3410 |
.262190030684E-06 .279518796742E-06 .297992862244E-06 .317687922738E-06 .338684676672E-06 |
| 3411 |
.361069156038E-06 .384933078884E-06 .410374225117E-06 .437496837143E-06 .466412046989E-06 |
| 3412 |
.497238331653E-06 .530101998551E-06 .565137703044E-06 .602489000172E-06 .642308932854E-06 |
| 3413 |
.684760658963E-06 .730018119842E-06 .778266753009E-06 .829704251961E-06 .884541376196E-06 |
| 3414 |
.943002814778E-06 .100532810696E-05 .107177262367E-05 .114260861386E-05 .121812631999E-05 |
| 3415 |
.129863516728E-05 .138446503151E-05 .147596759065E-05 .157351776580E-05 .167751525736E-05 |
| 3416 |
.178838618277E-05 .190658482240E-05 .203259548094E-05 .216693447172E-05 .231015223223E-05 |
| 3417 |
.246283557942E-05 .262561011405E-05 .279914278403E-05 .298414461703E-05 .318137363380E-05 |
| 3418 |
.339163795400E-05 .361579910726E-05 .385477556313E-05 .410954649424E-05 .438115578827E-05 |
| 3419 |
.467071632493E-05 .497941453575E-05 .530851526509E-05 .565936695252E-05 .603340715757E-05 |
| 3420 |
.643216844969E-05 .685728468745E-05 .731049771266E-05 .779366448694E-05 .830876469991E-05 |
| 3421 |
.885790888011E-05 .944334704203E-05 .100674779045E-04 .107328587184E-04 .114422157435E-04 |
| 3422 |
.121984554180E-04 .130046762663E-04 .138641815928E-04 .147804930159E-04 .157573648950E-04 |
| 3423 |
.167987997114E-04 .179090644660E-04 .190927081599E-04 .203545804298E-04 .216998514160E-04 |
| 3424 |
.231340329418E-04 .246630010932E-04 .262930202900E-04 .280307689477E-04 .298833668347E-04 |
| 3425 |
.318584042369E-04 .339639730489E-04 .362086999200E-04 .386017815894E-04 .411530225552E-04 |
| 3426 |
.438728752333E-04 .467724827673E-04 .498637246677E-04 .531592654645E-04 .566726065746E-04 |
| 3427 |
.604181415935E-04 .644112152397E-04 .686681861917E-04 .732064940741E-04 .780447308677E-04 |
| 3428 |
.832027170341E-04 .887015826677E-04 .945638540041E-04 .100813545640E-03 .107476258843E-03 |
| 3429 |
.114579286345E-03 .122151724057E-03 .130224590157E-03 .138830952031E-03 .148006061597E-03 |
| 3430 |
.157787499549E-03 .168215329124E-03 .179332260004E-03 .191183823034E-03 .203818556458E-03 |
| 3431 |
.217288204431E-03 .231647928618E-03 .246956533745E-03 .263276708003E-03 .280675279299E-03 |
| 3432 |
.299223488379E-03 .318997279940E-03 .340077612913E-03 .362550791159E-03 .386508815934E-03 |
| 3433 |
.412049761538E-03 .439278175667E-03 .468305506086E-03 .499250555342E-03 .532239965345E-03 |
| 3434 |
.567408733777E-03 .604900764394E-03 .644869453427E-03 .687478314448E-03 .732901644181E-03 |
| 3435 |
.781325231931E-03 .832947115462E-03 .887978386315E-03 .946644047793E-03 .100918392899E-02 |
| 3436 |
.107585365849E-02 .114692570159E-02 .122269046511E-02 .130345747413E-02 .138955662526E-02 |
| 3437 |
.148133952139E-02 .157918089300E-02 .168348011159E-02 .179466280119E-02 .191318255387E-02 |
| 3438 |
.203952275611E-02 .217419853284E-02 .231775881644E-02 .247078854874E-02 .263391102401E-02 |
| 3439 |
.280779038181E-02 .299313425896E-02 .319069661014E-02 .340128070773E-02 .362574233140E-02 |
| 3440 |
.386499315908E-02 .412000437119E-02 .439181048093E-02 .468151340366E-02 .499028677951E-02 |
| 3441 |
.531938056376E-02 .567012590008E-02 .604394029290E-02 .644233309519E-02 .686691132922E-02 |
| 3442 |
.731938585814E-02 .780157792698E-02 .831542609246E-02 .886299356117E-02 .944647595673E-02 |
| 3443 |
.100682095365E-01 .107306798791E-01 .114365310642E-01 .121885753659E-01 .129898034814E-01 |
| 3444 |
.138433953166E-01 .147527313479E-01 .157214045830E-01 .167532331366E-01 .178522734413E-01 |
| 3445 |
.190228341077E-01 .202694904477E-01 .215970996717E-01 .230108167655E-01 .245161110510E-01 |
| 3446 |
.261187834253E-01 .278249842710E-01 .296412320197E-01 .315744323432E-01 .336318979367E-01 |
| 3447 |
.358213688444E-01 .381510332672E-01 .406295487722E-01 .432660638073E-01 .460702394023E-01 |
| 3448 |
.490522709130E-01 .522229096357E-01 .555934840907E-01 .591759207332E-01 .629827638118E-01 |
| 3449 |
.670271940485E-01 .713230457611E-01 .758848219909E-01 .807277071372E-01 .858675765219E-01 |
| 3450 |
.913210022355E-01 .971052545202E-01 .103238297856E+00 .109738780808E+00 .116626018567E+00 |
| 3451 |
.123919967025E+00 .131641187044E+00 .139810797483E+00 .148450415362E+00 .157582081422E+00 |
| 3452 |
.167228169129E+00 .177411275073E+00 .188154088481E+00 .199479237473E+00 .211409109499E+00 |
| 3453 |
.223965643295E+00 .237170089603E+00 .251042737822E+00 .265602605784E+00 .280867089905E+00 |
| 3454 |
.296851573107E+00 .313568988194E+00 .331029334775E+00 .349239148393E+00 .368200921309E+00 |
| 3455 |
.387912475432E+00 .408366289161E+00 .429548781600E+00 .451439559571E+00 .474010635347E+00 |
| 3456 |
.497225625895E+00 .521038947873E+00 .545395026559E+00 .570227541389E+00 .595458735794E+00 |
| 3457 |
.620998824523E+00 .646745537472E+00 .672583845076E+00 .698385916287E+00 .724011365684E+00 |
| 3458 |
.749307850846E+00 .774112084099E+00 .798251323299E+00 .821545403372E+00 .843809362604E+00 |
| 3459 |
.864856703695E+00 .884503307608E+00 .902571986389E+00 .918897617394E+00 .933332743909E+00 |
| 3460 |
.945753454235E+00 .956065262074E+00 .964208605323E+00 .970163460013E+00 .973952434941E+00 |
| 3461 |
.975641577861E+00 .975337997314E+00 .973183302052E+00 .969341805567E+00 .963982466511E+00 |
| 3462 |
.957253674228E+00 .949250286078E+00 .939967137898E+00 |
| 3463 |
ae wavefunction |
| 3464 |
.345880269803E-07 .368147396271E-07 .391630877573E-07 .416408806975E-07 .442563796648E-07 |
| 3465 |
.470183275065E-07 .499359803346E-07 .530191411165E-07 .562781953533E-07 .597241489837E-07 |
| 3466 |
.633686686638E-07 .672241245792E-07 .713036359587E-07 .756211194698E-07 .801913406860E-07 |
| 3467 |
.850299688307E-07 .901536350141E-07 .955799941953E-07 .101327791116E-06 .107416930467E-06 |
| 3468 |
.113868551572E-06 .120705107882E-06 .127950451600E-06 .135629923775E-06 .143770450234E-06 |
| 3469 |
.152400643718E-06 .161550912651E-06 .171253576971E-06 .181542991487E-06 .192455677263E-06 |
| 3470 |
.204030461550E-06 .216308626838E-06 .229334069623E-06 .243153469531E-06 .257816469471E-06 |
| 3471 |
.273375867567E-06 .289887821608E-06 .307412066875E-06 .326012148197E-06 .345755667189E-06 |
| 3472 |
.366714545666E-06 .388965306283E-06 .412589371555E-06 .437673382450E-06 .464309537843E-06 |
| 3473 |
.492595956204E-06 .522637060981E-06 .554543991229E-06 .588435039152E-06 .624436116314E-06 |
| 3474 |
.662681250411E-06 .703313114606E-06 .746483591562E-06 .792354374454E-06 .841097607392E-06 |
| 3475 |
.892896567826E-06 .947946393699E-06 .100645485829E-05 .106864319584E-05 .113474698138E-05 |
| 3476 |
.120501706815E-05 .127972058660E-05 .135914200881E-05 .144358428278E-05 .153337004103E-05 |
| 3477 |
.162884288848E-05 .173036877475E-05 .183833745647E-05 .195316405540E-05 .207529071870E-05 |
| 3478 |
.220518838808E-05 .234335868479E-05 .249033591827E-05 .264668922633E-05 .281302485559E-05 |
| 3479 |
.298998859133E-05 .317826834648E-05 .337859692020E-05 .359175493710E-05 .381857397892E-05 |
| 3480 |
.405993992120E-05 .431679648841E-05 .459014904167E-05 .488106861436E-05 .519069621170E-05 |
| 3481 |
.552024739158E-05 .587101714484E-05 .624438509476E-05 .664182103620E-05 .706489083686E-05 |
| 3482 |
.751526272388E-05 .799471398120E-05 .850513808399E-05 .904855229890E-05 .962710578015E-05 |
| 3483 |
.102430881938E-04 .108989389041E-04 .115972567594E-04 .123408105145E-04 .131325499332E-04 |
| 3484 |
.139756176126E-04 .148733615779E-04 .158293486960E-04 .168473789614E-04 .179315007108E-04 |
| 3485 |
.190860268264E-04 .203155519905E-04 .216249710612E-04 .230194986388E-04 .245046899018E-04 |
| 3486 |
.260864627920E-04 .277711216371E-04 .295653823016E-04 .314763989640E-04 .335117926256E-04 |
| 3487 |
.356796814598E-04 .379887131204E-04 .404480991341E-04 .430676515087E-04 .458578216993E-04 |
| 3488 |
.488297420813E-04 .519952700901E-04 .553670351951E-04 .589584888889E-04 .627839578816E-04 |
| 3489 |
.668587007013E-04 .711989679173E-04 .758220662119E-04 .807464265434E-04 .859916766568E-04 |
| 3490 |
.915787182129E-04 .975298088258E-04 .103868649313E-03 .110620476484E-03 .117812161806E-03 |
| 3491 |
.125472316323E-03 .133631402195E-03 .142321851285E-03 .151578191213E-03 .161437179343E-03 |
| 3492 |
.171937945185E-03 .183122141720E-03 .195034106204E-03 .207721031012E-03 .221233145136E-03 |
| 3493 |
.235623906972E-03 .250950209091E-03 .267272595685E-03 .284655493464E-03 .303167456795E-03 |
| 3494 |
.322881427931E-03 .343875013202E-03 .366230776132E-03 .390036548445E-03 .415385760012E-03 |
| 3495 |
.442377788834E-03 .471118332212E-03 .501719800316E-03 .534301733429E-03 .568991244209E-03 |
| 3496 |
.605923486367E-03 .645242151254E-03 .687099993885E-03 .731659390044E-03 .779092926154E-03 |
| 3497 |
.829584023705E-03 .883327600092E-03 .940530767818E-03 .100141357408E-02 .106620978285E-02 |
| 3498 |
.113516770174E-02 .120855105577E-02 .128663991061E-02 .136973164774E-02 .145814199397E-02 |
| 3499 |
.155220610817E-02 .165227972784E-02 .175874037846E-02 .187198864842E-02 .199244953274E-02 |
| 3500 |
.212057384858E-02 .225683972563E-02 .240175417491E-02 .255585473900E-02 .271971122729E-02 |
| 3501 |
.289392753957E-02 .307914358152E-02 .327603727554E-02 .348532667035E-02 .370777215312E-02 |
| 3502 |
.394417876724E-02 .419539863956E-02 .446233352010E-02 .474593743783E-02 .504721947541E-02 |
| 3503 |
.536724666607E-02 .570714701529E-02 .606811265001E-02 .645140309744E-02 .685834869576E-02 |
| 3504 |
.729035413788E-02 .774890214992E-02 .823555730457E-02 .875196996978E-02 .929988039215E-02 |
| 3505 |
.988112291363E-02 .104976303197E-01 .111514383156E-01 .118446901277E-01 .125796412233E-01 |
| 3506 |
.133586641445E-01 .141842534468E-01 .150590307347E-01 .159857497830E-01 .169673017313E-01 |
| 3507 |
.180067203384E-01 .191071872789E-01 .202720374648E-01 .215047643706E-01 .228090253387E-01 |
| 3508 |
.241886468392E-01 .256476296546E-01 .271901539582E-01 .288205842499E-01 .305434741118E-01 |
| 3509 |
.323635707393E-01 .342858192035E-01 .363153663933E-01 .384575645820E-01 .407179745612E-01 |
| 3510 |
.431023682761E-01 .456167308958E-01 .482672622432E-01 .510603775081E-01 .540027071583E-01 |
| 3511 |
.571010959597E-01 .603626010131E-01 .637944887051E-01 .674042304707E-01 .711994972565E-01 |
| 3512 |
.751881525675E-01 .793782439807E-01 .837779929965E-01 .883957831019E-01 .932401459101E-01 |
| 3513 |
.983197452423E-01 .103643359011E+00 .109219858768E+00 .115058186771E+00 .121167330436E+00 |
| 3514 |
.127556294036E+00 .134234067512E+00 .141209592272E+00 .148491723865E+00 .156089191418E+00 |
| 3515 |
.164010553754E+00 .172264152109E+00 .180858059409E+00 .189800026080E+00 .199097422382E+00 |
| 3516 |
.208757177326E+00 .218785714228E+00 .229188883025E+00 .239971889488E+00 .251139221539E+00 |
| 3517 |
.262694572877E+00 .274640764188E+00 .286979662183E+00 .299712096784E+00 .312837776678E+00 |
| 3518 |
.326355203518E+00 .340261584915E+00 .354552746333E+00 .369223041887E+00 .384265263953E+00 |
| 3519 |
.399670551406E+00 .415428296305E+00 .431526048923E+00 .447949421271E+00 .464681989806E+00 |
| 3520 |
.481705198910E+00 .498998268148E+00 .516538108581E+00 .534299256830E+00 .552253840873E+00 |
| 3521 |
.570371599694E+00 .588619990658E+00 .606964434030E+00 .625368759241E+00 .643795919193E+00 |
| 3522 |
.662208997143E+00 .680572398679E+00 .698852865629E+00 .717019633899E+00 .735042944768E+00 |
| 3523 |
.752890589331E+00 .770523296286E+00 .787890909173E+00 .804931355401E+00 .821572952966E+00 |
| 3524 |
.837738646284E+00 .853350000447E+00 .868329655898E+00 .882602263867E+00 .896094573156E+00 |
| 3525 |
.908735288781E+00 .920455036227E+00 .931186536235E+00 .940864977431E+00 .949428530232E+00 |
| 3526 |
.956818937764E+00 .962982127564E+00 .967868801554E+00 .971434976111E+00 .973642456203E+00 |
| 3527 |
.974459236487E+00 .973859827995E+00 .971825512270E+00 .968344526450E+00 .963412183401E+00 |
| 3528 |
.957030931285E+00 .949210356990E+00 .939967137898E+00 |
| 3529 |
pseudo wavefunction |
| 3530 |
-.279100332060E-08 -.297546742365E-08 -.317212320158E-08 -.338177643140E-08 -.360528614584E-08 |
| 3531 |
-.384356815318E-08 -.409759878966E-08 -.436841891992E-08 -.465713820182E-08 -.496493963318E-08 |
| 3532 |
-.529308439896E-08 -.564291703887E-08 -.601587095646E-08 -.641347429233E-08 -.683735618556E-08 |
| 3533 |
-.728925344894E-08 -.777101768534E-08 -.828462287450E-08 -.883217346120E-08 -.941591297798E-08 |
| 3534 |
-.100382332378E-07 -.107016841344E-07 -.114089840897E-07 -.121630311930E-07 -.129669150751E-07 |
| 3535 |
-.138239295678E-07 -.147375862001E-07 -.157116285863E-07 -.167500477652E-07 -.178570985526E-07 |
| 3536 |
-.190373169755E-07 -.202955388575E-07 -.216369196333E-07 -.230669554724E-07 -.245915057993E-07 |
| 3537 |
-.262168173018E-07 -.279495495259E-07 -.297968021628E-07 -.317661441390E-07 -.338656446294E-07 |
| 3538 |
-.361039061195E-07 -.384900996534E-07 -.410340024109E-07 -.437460377687E-07 -.466373180090E-07 |
| 3539 |
-.497196898505E-07 -.530057829893E-07 -.565090618476E-07 -.602438807426E-07 -.642255427017E-07 |
| 3540 |
-.684703621646E-07 -.729957318304E-07 -.778201939216E-07 -.829635161588E-07 -.884467727567E-07 |
| 3541 |
-.942924307731E-07 -.100524442165E-06 -.107168341928E-06 -.114251352723E-06 -.121802496421E-06 |
| 3542 |
-.129852713009E-06 -.138434987371E-06 -.147584484433E-06 -.157338693248E-06 -.167737580606E-06 |
| 3543 |
-.178823754787E-06 -.190642640146E-06 -.203242663231E-06 -.216675451205E-06 -.230996043379E-06 |
| 3544 |
-.246263116728E-06 -.262539226313E-06 -.279891061585E-06 -.298389719639E-06 -.318110996522E-06 |
| 3545 |
-.339135697790E-06 -.361549969599E-06 -.385445651673E-06 -.410920653597E-06 -.438079355985E-06 |
| 3546 |
-.467033038159E-06 -.497900334092E-06 -.530807718486E-06 -.565890024977E-06 -.603290998579E-06 |
| 3547 |
-.643163884653E-06 -.685672056786E-06 -.730989686178E-06 -.779302455259E-06 -.830808318475E-06 |
| 3548 |
-.885718313346E-06 -.944257425134E-06 -.100666550865E-05 -.107319827097E-05 -.114412831913E-05 |
| 3549 |
-.121974627702E-05 -.130036197611E-05 -.138630572487E-05 -.147792966206E-05 -.157560919949E-05 |
| 3550 |
-.167974456009E-05 -.179076241763E-05 -.190911764480E-05 -.203529517683E-05 -.216981199824E-05 |
| 3551 |
-.231321926086E-05 -.246610454188E-05 -.262909425103E-05 -.280285619688E-05 -.298810232272E-05 |
| 3552 |
-.318559162316E-05 -.339613325358E-05 -.362058984486E-05 -.385988103730E-05 -.411498724795E-05 |
| 3553 |
-.438695368687E-05 -.467689463877E-05 -.498599802752E-05 -.531553028225E-05 -.566684152493E-05 |
| 3554 |
-.604137110065E-05 -.644065347328E-05 -.686632451062E-05 -.732012818467E-05 -.780392371464E-05 |
| 3555 |
-.831969318161E-05 -.886954964637E-05 -.945574580324E-05 -.100806832056E-04 -.107469221007E-04 |
| 3556 |
-.114571919139E-04 -.122144024253E-04 -.130216556843E-04 -.138822587115E-04 -.147997370379E-04 |
| 3557 |
-.157778491399E-04 -.168206018252E-04 -.179322666362E-04 -.191173973350E-04 -.203808485423E-04 |
| 3558 |
-.217277956078E-04 -.231637557902E-04 -.246946108353E-04 -.263266310442E-04 -.280665009288E-04 |
| 3559 |
-.299213465589E-04 -.318987647140E-04 -.340068539568E-04 -.362542477552E-04 -.386501497879E-04 |
| 3560 |
-.412043715772E-04 -.439273726015E-04 -.468303030501E-04 -.499250493950E-04 -.532242829633E-04 |
| 3561 |
-.567415117076E-04 -.604911353844E-04 -.644885043632E-04 -.687499823040E-04 -.732930129577E-04 |
| 3562 |
-.781361913574E-04 -.832993396886E-04 -.888035881438E-04 -.946714610865E-04 -.100926968871E-03 |
| 3563 |
-.107595705689E-03 -.114704953825E-03 -.122283794757E-03 -.130363227527E-03 -.138976294859E-03 |
| 3564 |
-.148158217538E-03 -.157946537565E-03 -.168381270675E-03 -.179505068800E-03 -.191363393143E-03 |
| 3565 |
-.204004698523E-03 -.217480629723E-03 -.231846230618E-03 -.247160166882E-03 -.263484963153E-03 |
| 3566 |
-.280887255575E-03 -.299438060680E-03 -.319213061663E-03 -.340292913127E-03 -.362763565471E-03 |
| 3567 |
-.386716610145E-03 -.412249647075E-03 -.439466675641E-03 -.468478510647E-03 -.499403224845E-03 |
| 3568 |
-.532366619614E-03 -.567502725527E-03 -.604954334604E-03 -.644873566158E-03 -.687422468234E-03 |
| 3569 |
-.732773656763E-03 -.781110994622E-03 -.832630312942E-03 -.887540177094E-03 -.946062699880E-03 |
| 3570 |
-.100843440462E-02 -.107490714085E-02 -.114574905561E-02 -.122124562321E-02 -.130170073660E-02 |
| 3571 |
-.138743786363E-02 -.147880127134E-02 -.157615732184E-02 -.167989584301E-02 -.179043157778E-02 |
| 3572 |
-.190820571524E-02 -.203368750745E-02 -.216737597522E-02 -.230980170646E-02 -.246152875055E-02 |
| 3573 |
-.262315661189E-02 -.279532234574E-02 -.297870275910E-02 -.317401671921E-02 -.338202757143E-02 |
| 3574 |
-.360354566834E-02 -.383943101045E-02 -.409059599886E-02 -.435800829868E-02 -.464269381116E-02 |
| 3575 |
-.494573975085E-02 -.526829782285E-02 -.561158749277E-02 -.597689934018E-02 -.636559848360E-02 |
| 3576 |
-.677912806178E-02 -.721901275286E-02 -.768686230858E-02 -.818437507615E-02 -.871334147500E-02 |
| 3577 |
-.927564738919E-02 -.987327742939E-02 -.105083180100E-01 -.111829601782E-01 -.118995021197E-01 |
| 3578 |
-.126603512567E-01 -.134680258372E-01 -.143251559008E-01 -.152344834894E-01 -.161988619506E-01 |
| 3579 |
-.172212541600E-01 -.183047294655E-01 -.194524591272E-01 -.206677099968E-01 -.219538361483E-01 |
| 3580 |
-.233142681308E-01 -.247524994748E-01 -.262720700375E-01 -.278765457220E-01 -.295694940484E-01 |
| 3581 |
-.313544549982E-01 -.332349064866E-01 -.352142237462E-01 -.372956318335E-01 -.394821503891E-01 |
| 3582 |
-.417765296978E-01 -.441811770102E-01 -.466980719964E-01 -.493286701138E-01 -.520737925813E-01 |
| 3583 |
-.549335015674E-01 -.579069591200E-01 -.609922683005E-01 -.641862949312E-01 -.674844683360E-01 |
| 3584 |
-.708805594534E-01 -.743664347429E-01 -.779317843870E-01 -.815638234472E-01 -.852469648520E-01 |
| 3585 |
-.889624634163E-01 -.926880305187E-01 -.963974196265E-01 -.100059983574E+00 -.103640205399E+00 |
| 3586 |
-.107097205642E+00 -.110384230348E+00 -.113448125613E+00 -.116228806356E+00 -.118658729208E+00 |
| 3587 |
-.120662381827E+00 -.122155803741E+00 -.123046156855E+00 -.123231367001E+00 -.122599861329E+00 |
| 3588 |
-.121030429774E+00 -.118392242085E+00 -.114545054827E+00 -.109339644965E+00 -.102618507758E+00 |
| 3589 |
-.942168562765E-01 -.839639573143E-01 -.716848331267E-01 -.572023496269E-01 -.403396986013E-01 |
| 3590 |
-.209232634852E-01 .121416534536E-02 .262298892774E-01 .542676129321E-01 .854537073972E-01 |
| 3591 |
.119893607610E+00 .157668569643E+00 .198833051986E+00 .243413010949E+00 .291405404078E+00 |
| 3592 |
.342779164013E+00 .397477822421E+00 .455423810756E+00 .516524221269E+00 .580677457773E+00 |
| 3593 |
.647779725320E+00 .717729694069E+00 .790428935263E+00 .865774902453E+00 .943642393869E+00 |
| 3594 |
.102384870860E+01 .110609729177E+01 .118988811168E+01 |
| 3595 |
ae wavefunction |
| 3596 |
-.116542067594E-07 -.124044977761E-07 -.131957736016E-07 -.140306656112E-07 -.149119574462E-07 |
| 3597 |
-.158425950344E-07 -.168256972502E-07 -.178645672328E-07 -.189627044082E-07 -.201238172617E-07 |
| 3598 |
-.213518369099E-07 -.226509315269E-07 -.240255216803E-07 -.254802966387E-07 -.270202317135E-07 |
| 3599 |
-.286506067059E-07 -.303770255296E-07 -.322054370900E-07 -.341421575006E-07 -.361938937267E-07 |
| 3600 |
-.383677687500E-07 -.406713483551E-07 -.431126696449E-07 -.457002713986E-07 -.484432263953E-07 |
| 3601 |
-.513511758310E-07 -.544343659691E-07 -.577036871700E-07 -.611707154577E-07 -.648477567899E-07 |
| 3602 |
-.687478942106E-07 -.728850380733E-07 -.772739795394E-07 -.819304475651E-07 -.868711696074E-07 |
| 3603 |
-.921139362941E-07 -.976776703179E-07 -.103582499833E-06 -.109849836650E-06 -.116502459544E-06 |
| 3604 |
-.123564603011E-06 -.131062051839E-06 -.139022241858E-06 -.147474367297E-06 -.156449495165E-06 |
| 3605 |
-.165980687121E-06 -.176103129339E-06 -.186854270866E-06 -.198273971060E-06 -.210404656679E-06 |
| 3606 |
-.223291489277E-06 -.236982543566E-06 -.251528997468E-06 -.266985334637E-06 -.283409560247E-06 |
| 3607 |
-.300863430940E-06 -.319412699843E-06 -.339127377657E-06 -.360082010861E-06 -.382355978163E-06 |
| 3608 |
-.406033806394E-06 -.431205507107E-06 -.457966935252E-06 -.486420171376E-06 -.516673928875E-06 |
| 3609 |
-.548843987947E-06 -.583053658010E-06 -.619434270419E-06 -.658125703492E-06 -.699276941957E-06 |
| 3610 |
-.743046673053E-06 -.789603921719E-06 -.839128727392E-06 -.891812865166E-06 -.947860614192E-06 |
| 3611 |
-.100748957643E-05 -.107093154901E-05 -.113843345377E-05 -.121025832760E-05 -.128668637772E-05 |
| 3612 |
-.136801610591E-05 -.145456550650E-05 -.154667334260E-05 -.164470050592E-05 -.174903146549E-05 |
| 3613 |
-.186007581124E-05 -.197826989835E-05 -.210407859921E-05 -.223799716990E-05 -.238055323851E-05 |
| 3614 |
-.253230892350E-05 -.269386309025E-05 -.286585375507E-05 -.304896064599E-05 -.324390793075E-05 |
| 3615 |
-.345146712267E-05 -.367246017595E-05 -.390776278282E-05 -.415830788548E-05 -.442508941676E-05 |
| 3616 |
-.470916628434E-05 -.501166661428E-05 -.533379227057E-05 -.567682366857E-05 -.604212490128E-05 |
| 3617 |
-.643114919862E-05 -.684544474122E-05 -.728666085140E-05 -.775655458580E-05 -.825699775532E-05 |
| 3618 |
-.878998439987E-05 -.935763874710E-05 -.996222368613E-05 -.106061497892E-04 -.112919849164E-04 |
| 3619 |
-.120224644406E-04 -.128005021321E-04 -.136292017456E-04 -.145118693528E-04 -.154520264704E-04 |
| 3620 |
-.164534240312E-04 -.175200572543E-04 -.186561814691E-04 -.198663289557E-04 -.211553268635E-04 |
| 3621 |
-.225283162782E-04 -.239907725076E-04 -.255485266641E-04 -.272077886245E-04 -.289751714536E-04 |
| 3622 |
-.308577173829E-04 -.328629254418E-04 -.349987808435E-04 -.372737862353E-04 -.396969949279E-04 |
| 3623 |
-.422780462274E-04 -.450272029982E-04 -.479553915954E-04 -.510742443111E-04 -.543961444887E-04 |
| 3624 |
-.579342744694E-04 -.617026665405E-04 -.657162570707E-04 -.699909440230E-04 -.745436480496E-04 |
| 3625 |
-.793923773845E-04 -.845562967609E-04 -.900558005919E-04 -.959125906717E-04 -.102149758660E-03 |
| 3626 |
-.108791873636E-03 -.115865075016E-03 -.123397171149E-03 -.131417743923E-03 -.139958259726E-03 |
| 3627 |
-.149052187125E-03 -.158735121661E-03 -.169044918139E-03 -.180021830872E-03 -.191708662286E-03 |
| 3628 |
-.204150920391E-03 -.217396985582E-03 -.231498287289E-03 -.246509491031E-03 -.262488696406E-03 |
| 3629 |
-.279497646635E-03 -.297601950258E-03 -.316871315613E-03 -.337379798797E-03 -.359206065760E-03 |
| 3630 |
-.382433669297E-03 -.407151341649E-03 -.433453303517E-03 -.461439590281E-03 -.491216396253E-03 |
| 3631 |
-.522896437828E-03 -.556599336408E-03 -.592452022021E-03 -.630589158538E-03 -.671153591471E-03 |
| 3632 |
-.714296819297E-03 -.760179489312E-03 -.808971919000E-03 -.860854643940E-03 -.916018993258E-03 |
| 3633 |
-.974667693643E-03 -.103701550293E-02 -.110328987428E-02 -.117373165185E-02 -.124859579904E-02 |
| 3634 |
-.132815216011E-02 -.141268625609E-02 -.150250011577E-02 -.159791314254E-02 -.169926301765E-02 |
| 3635 |
-.180690664054E-02 -.192122110648E-02 -.204260472202E-02 -.217147805810E-02 -.230828504096E-02 |
| 3636 |
-.245349408034E-02 -.260759923450E-02 -.277112141118E-02 -.294460960335E-02 -.312864215812E-02 |
| 3637 |
-.332382807689E-02 -.353080834438E-02 -.375025728348E-02 -.398288393254E-02 -.422943344082E-02 |
| 3638 |
-.449068847740E-02 -.476747064777E-02 -.506064191174E-02 -.537110599514E-02 -.569980978681E-02 |
| 3639 |
-.604774471137E-02 -.641594806671E-02 -.680550431407E-02 -.721754630679E-02 -.765325644248E-02 |
| 3640 |
-.811386772120E-02 -.860066469065E-02 -.911498425698E-02 -.965821633760E-02 -.102318043300E-01 |
| 3641 |
-.108372453676E-01 -.114760903311E-01 -.121499435805E-01 -.128604623686E-01 -.136093558956E-01 |
| 3642 |
-.143983839573E-01 -.152293551373E-01 -.161041244889E-01 -.170245906457E-01 -.179926922974E-01 |
| 3643 |
-.190104039593E-01 -.200797309592E-01 -.212027035591E-01 -.223813701213E-01 -.236177892228E-01 |
| 3644 |
-.249140206129E-01 -.262721149025E-01 -.276941018621E-01 -.291819772014E-01 -.307376876894E-01 |
| 3645 |
-.323631144669E-01 -.340600543932E-01 -.358301992573E-01 -.376751126749E-01 -.395962044805E-01 |
| 3646 |
-.415947024138E-01 -.436716208885E-01 -.458277266219E-01 -.480635008913E-01 -.503790981760E-01 |
| 3647 |
-.527743009314E-01 -.552484702362E-01 -.578004920430E-01 -.604287187595E-01 -.631309058800E-01 |
| 3648 |
-.659041433832E-01 -.687447816140E-01 -.716483513616E-01 -.746094778523E-01 -.776217883748E-01 |
| 3649 |
-.806778132642E-01 -.837688799724E-01 -.868849999614E-01 -.900147481647E-01 -.931451347659E-01 |
| 3650 |
-.962614690568E-01 -.993472151489E-01 -.102383839329E+00 -.105350648884E+00 -.108224622255E+00 |
| 3651 |
-.110980230477E+00 -.113589249961E+00 -.116020566855E+00 -.118239973483E+00 -.120209957715E+00 |
| 3652 |
-.121889486565E+00 -.123233785983E+00 -.124194119546E+00 -.124717569791E+00 -.124746827215E+00 |
| 3653 |
-.124219993528E+00 -.123070407576E+00 -.121226503932E+00 -.118611714138E+00 -.115144416120E+00 |
| 3654 |
-.110737923637E+00 -.105300480905E+00 -.987351922876E-01 -.909397990956E-01 -.818062623135E-01 |
| 3655 |
-.712202497639E-01 -.590607954837E-01 -.452004418151E-01 -.295059878331E-01 -.118396629322E-01 |
| 3656 |
.793961119861E-02 .299750801289E-01 .544111019193E-01 .813920105918E-01 .111060751685E+00 |
| 3657 |
.143557217466E+00 .179016260798E+00 .217565385042E+00 .259322106952E+00 .304390982216E+00 |
| 3658 |
.352860275065E+00 .404798246896E+00 .460249035383E+00 .519228095764E+00 .581717179741E+00 |
| 3659 |
.647658834662E+00 .716950416187E+00 .789437621611E+00 .864907568857E+00 .943081468528E+00 |
| 3660 |
.102360696409E+01 .110605024916E+01 .118988811168E+01 |
| 3661 |
End of Dataset |
| 3662 |
PAW_PBE O 08Apr2002 |
| 3663 |
6.00000000000000000 |
| 3664 |
parameters from PSCTR are: |
| 3665 |
VRHFIN =O: s2p4 |
| 3666 |
LEXCH = PE |
| 3667 |
EATOM = 432.3788 eV, 31.7789 Ry |
| 3668 |
|
| 3669 |
TITEL = PAW_PBE O 08Apr2002 |
| 3670 |
LULTRA = F use ultrasoft PP ? |
| 3671 |
IUNSCR = 0 unscreen: 0-lin 1-nonlin 2-no |
| 3672 |
RPACOR = .000 partial core radius |
| 3673 |
POMASS = 16.000; ZVAL = 6.000 mass and valenz |
| 3674 |
RCORE = 1.520 outmost cutoff radius |
| 3675 |
RWIGS = 1.550; RWIGS = .820 wigner-seitz radius (au A) |
| 3676 |
ENMAX = 400.000; ENMIN = 300.000 eV |
| 3677 |
ICORE = 2 local potential |
| 3678 |
LCOR = T correct aug charges |
| 3679 |
LPAW = T paw PP |
| 3680 |
EAUG = 605.392 |
| 3681 |
DEXC = .000 |
| 3682 |
RMAX = 2.264 core radius for proj-oper |
| 3683 |
RAUG = 1.300 factor for augmentation sphere |
| 3684 |
RDEP = 1.550 radius for radial grids |
| 3685 |
QCUT = -5.520; QGAM = 11.041 optimization parameters |
| 3686 |
|
| 3687 |
Description |
| 3688 |
l E TYP RCUT TYP RCUT |
| 3689 |
0 .000 23 1.200 |
| 3690 |
0 -.700 23 1.200 |
| 3691 |
1 .000 23 1.520 |
| 3692 |
1 .600 23 1.520 |
| 3693 |
2 .000 7 1.500 |
| 3694 |
Error from kinetic energy argument (eV) |
| 3695 |
NDATA = 100 |
| 3696 |
STEP = 20.000 1.050 |
| 3697 |
163. 160. 159. 156. 154. 151. 148. 146. |
| 3698 |
142. 139. 137. 134. 130. 126. 123. 119. |
| 3699 |
115. 111. 108. 102. 98.8 95.2 90.0 86.6 |
| 3700 |
83.2 78.3 73.5 70.4 65.9 61.6 57.4 53.4 |
| 3701 |
49.6 46.0 42.6 39.3 35.3 32.4 28.9 26.4 |
| 3702 |
23.4 20.6 18.1 15.8 13.7 11.9 10.3 8.47 |
| 3703 |
7.22 5.87 4.73 3.95 3.13 2.45 1.80 1.37 |
| 3704 |
1.03 .721 .493 .329 .215 .138 .882E-01 .534E-01 |
| 3705 |
.367E-01 .267E-01 .223E-01 .205E-01 .193E-01 .181E-01 .162E-01 .138E-01 |
| 3706 |
.112E-01 .878E-02 .646E-02 .490E-02 .370E-02 .300E-02 .259E-02 .238E-02 |
| 3707 |
.219E-02 .196E-02 .167E-02 .132E-02 .100E-02 .764E-03 .617E-03 .544E-03 |
| 3708 |
.522E-03 .507E-03 .467E-03 .403E-03 .312E-03 .236E-03 .181E-03 .157E-03 |
| 3709 |
.152E-03 .150E-03 .139E-03 .118E-03 |
| 3710 |
END of PSCTR-controll parameters |
| 3711 |
local part |
| 3712 |
122.832189257630020 |
| 3713 |
.23155445E+02 .23152693E+02 .23149261E+02 .23143544E+02 .23135541E+02 |
| 3714 |
.23125253E+02 .23112681E+02 .23097823E+02 .23080677E+02 .23061237E+02 |
| 3715 |
.23039495E+02 .23015440E+02 .22989059E+02 .22960335E+02 .22929249E+02 |
| 3716 |
.22895777E+02 .22859896E+02 .22821578E+02 .22780793E+02 .22737509E+02 |
| 3717 |
.22691690E+02 .22643299E+02 .22592293E+02 .22538630E+02 .22482260E+02 |
| 3718 |
.22423132E+02 .22361190E+02 .22296376E+02 .22228625E+02 .22157873E+02 |
| 3719 |
.22084048E+02 .22007079E+02 .21926890E+02 .21843403E+02 .21756538E+02 |
| 3720 |
.21666211E+02 .21572340E+02 .21474838E+02 .21373619E+02 .21268597E+02 |
| 3721 |
.21159684E+02 .21046794E+02 .20929842E+02 .20808743E+02 .20683417E+02 |
| 3722 |
.20553785E+02 .20419772E+02 .20281308E+02 .20138327E+02 .19990769E+02 |
| 3723 |
.19838580E+02 .19681713E+02 .19520129E+02 .19353797E+02 .19182693E+02 |
| 3724 |
.19006804E+02 .18826128E+02 .18640671E+02 .18450451E+02 .18255500E+02 |
| 3725 |
.18055858E+02 .17851580E+02 .17642733E+02 .17429396E+02 .17211664E+02 |
| 3726 |
.16989641E+02 .16763448E+02 .16533218E+02 .16299098E+02 .16061247E+02 |
| 3727 |
.15819840E+02 .15575061E+02 .15327109E+02 .15076196E+02 .14822544E+02 |
| 3728 |
.14566388E+02 .14307973E+02 .14047552E+02 .13785392E+02 .13521763E+02 |
| 3729 |
.13256948E+02 .12991234E+02 .12724915E+02 .12458289E+02 .12191659E+02 |
| 3730 |
.11925331E+02 .11659614E+02 .11394816E+02 .11131245E+02 .10869211E+02 |
| 3731 |
.10609017E+02 .10350966E+02 .10095354E+02 .98424727E+01 .95926072E+01 |
| 3732 |
.93460340E+01 .91030212E+01 .88638270E+01 .86286987E+01 .83978722E+01 |
| 3733 |
.81715707E+01 .79500043E+01 .77333688E+01 .75218455E+01 .73156002E+01 |
| 3734 |
.71147829E+01 .69195273E+01 .67299503E+01 .65461519E+01 .63682145E+01 |
| 3735 |
.61962037E+01 .60301671E+01 .58701350E+01 .57161205E+01 .55681193E+01 |
| 3736 |
.54261103E+01 .52900556E+01 .51599012E+01 .50355773E+01 .49169989E+01 |
| 3737 |
.48040663E+01 .46966659E+01 .45946711E+01 .44979426E+01 .44063297E+01 |
| 3738 |
.43196709E+01 .42377948E+01 .41605214E+01 .40876627E+01 .40190236E+01 |
| 3739 |
.39544034E+01 .38935965E+01 .38363932E+01 .37825814E+01 .37319469E+01 |
| 3740 |
.36842749E+01 .36393508E+01 .35969612E+01 .35568949E+01 .35189437E+01 |
| 3741 |
.34829034E+01 .34485744E+01 .34157630E+01 .33842813E+01 .33539488E+01 |
| 3742 |
.33245924E+01 .32960472E+01 .32681572E+01 .32407752E+01 .32137639E+01 |
| 3743 |
.31869956E+01 .31603530E+01 .31337289E+01 .31070267E+01 .30801603E+01 |
| 3744 |
.30530540E+01 .30256429E+01 .29978721E+01 .29696971E+01 .29410832E+01 |
| 3745 |
.29120056E+01 .28824486E+01 .28524057E+01 .28218788E+01 .27908779E+01 |
| 3746 |
.27594206E+01 .27275318E+01 .26952425E+01 .26625901E+01 .26296170E+01 |
| 3747 |
.25963704E+01 .25629018E+01 .25292661E+01 .24955211E+01 .24617268E+01 |
| 3748 |
.24279449E+01 .23942383E+01 .23606701E+01 .23273035E+01 .22942010E+01 |
| 3749 |
.22614239E+01 .22290318E+01 .21970823E+01 .21656302E+01 .21347276E+01 |
| 3750 |
.21044231E+01 .20747616E+01 .20457843E+01 .20175281E+01 .19900255E+01 |
| 3751 |
.19633044E+01 .19373883E+01 .19122957E+01 .18880405E+01 .18646316E+01 |
| 3752 |
.18420733E+01 .18203652E+01 .17995024E+01 .17794755E+01 .17602707E+01 |
| 3753 |
.17418705E+01 .17242532E+01 .17073938E+01 .16912639E+01 .16758320E+01 |
| 3754 |
.16610641E+01 .16469237E+01 .16333722E+01 .16203693E+01 .16078735E+01 |
| 3755 |
.15958421E+01 .15842318E+01 .15729988E+01 .15620996E+01 .15514907E+01 |
| 3756 |
.15411295E+01 .15309742E+01 .15209843E+01 .15111206E+01 .15013460E+01 |
| 3757 |
.14916249E+01 .14819243E+01 .14722133E+01 .14624637E+01 .14526498E+01 |
| 3758 |
.14427487E+01 .14327405E+01 .14226081E+01 .14123373E+01 .14019171E+01 |
| 3759 |
.13913392E+01 .13805984E+01 .13696923E+01 .13586213E+01 .13473883E+01 |
| 3760 |
.13359990E+01 .13244615E+01 .13127860E+01 .13009850E+01 .12890728E+01 |
| 3761 |
.12770654E+01 .12649804E+01 .12528367E+01 .12406544E+01 .12284542E+01 |
| 3762 |
.12162578E+01 .12040872E+01 .11919646E+01 .11799123E+01 .11679522E+01 |
| 3763 |
.11561062E+01 .11443952E+01 .11328397E+01 .11214589E+01 .11102712E+01 |
| 3764 |
.10992936E+01 .10885419E+01 .10780303E+01 .10677713E+01 .10577759E+01 |
| 3765 |
.10480534E+01 .10386110E+01 .10294545E+01 .10205875E+01 .10120120E+01 |
| 3766 |
.10037281E+01 .99573405E+00 .98802637E+00 .98059993E+00 .97344797E+00 |
| 3767 |
.96656217E+00 .95993281E+00 .95354881E+00 .94739790E+00 .94146671E+00 |
| 3768 |
.93574091E+00 .93020536E+00 .92484425E+00 .91964123E+00 .91457956E+00 |
| 3769 |
.90964227E+00 .90481229E+00 .90007260E+00 .89540637E+00 .89079709E+00 |
| 3770 |
.88622870E+00 .88168571E+00 .87715333E+00 .87261756E+00 .86806530E+00 |
| 3771 |
.86348444E+00 .85886393E+00 .85419386E+00 .84946550E+00 .84467136E+00 |
| 3772 |
.83980521E+00 .83486211E+00 .82983841E+00 .82473177E+00 .81954111E+00 |
| 3773 |
.81426662E+00 .80890973E+00 .80347303E+00 .79796024E+00 .79237615E+00 |
| 3774 |
.78672657E+00 .78101820E+00 .77525858E+00 .76945600E+00 .76361942E+00 |
| 3775 |
.75775831E+00 .75188262E+00 .74600265E+00 .74012893E+00 .73427215E+00 |
| 3776 |
.72844301E+00 .72265218E+00 .71691014E+00 .71122715E+00 .70561310E+00 |
| 3777 |
.70007743E+00 .69462911E+00 .68927647E+00 .68402723E+00 .67888835E+00 |
| 3778 |
.67386605E+00 .66896570E+00 .66419185E+00 .65954814E+00 .65503733E+00 |
| 3779 |
.65066125E+00 .64642082E+00 .64231605E+00 .63834605E+00 .63450904E+00 |
| 3780 |
.63080240E+00 .62722268E+00 .62376568E+00 .62042644E+00 .61719934E+00 |
| 3781 |
.61407817E+00 .61105614E+00 .60812599E+00 .60528004E+00 .60251030E+00 |
| 3782 |
.59980849E+00 .59716614E+00 .59457468E+00 .59202550E+00 .58951003E+00 |
| 3783 |
.58701980E+00 .58454654E+00 .58208221E+00 .57961910E+00 .57714987E+00 |
| 3784 |
.57466763E+00 .57216594E+00 .56963895E+00 .56708132E+00 .56448837E+00 |
| 3785 |
.56185603E+00 .55918091E+00 .55646027E+00 .55369208E+00 .55087499E+00 |
| 3786 |
.54800835E+00 .54509219E+00 .54212720E+00 .53911474E+00 .53605675E+00 |
| 3787 |
.53295582E+00 .52981506E+00 .52663812E+00 .52342909E+00 .52019253E+00 |
| 3788 |
.51693334E+00 .51365677E+00 .51036832E+00 .50707371E+00 .50377881E+00 |
| 3789 |
.50048961E+00 .49721211E+00 .49395232E+00 .49071615E+00 .48750942E+00 |
| 3790 |
.48433774E+00 .48120651E+00 .47812083E+00 .47508551E+00 .47210497E+00 |
| 3791 |
.46918326E+00 .46632398E+00 .46353029E+00 .46080485E+00 .45814984E+00 |
| 3792 |
.45556693E+00 .45305727E+00 .45062147E+00 .44825964E+00 .44597137E+00 |
| 3793 |
.44375571E+00 .44161126E+00 .43953613E+00 .43752797E+00 .43558402E+00 |
| 3794 |
.43370110E+00 .43187571E+00 .43010401E+00 .42838185E+00 .42670486E+00 |
| 3795 |
.42506848E+00 .42346796E+00 .42189845E+00 .42035503E+00 .41883273E+00 |
| 3796 |
.41732664E+00 .41583186E+00 .41434364E+00 .41285733E+00 .41136849E+00 |
| 3797 |
.40987289E+00 .40836657E+00 .40684582E+00 .40530728E+00 .40374789E+00 |
| 3798 |
.40216498E+00 .40055624E+00 .39891975E+00 .39725399E+00 .39555786E+00 |
| 3799 |
.39383066E+00 .39207210E+00 .39028230E+00 .38846177E+00 .38661143E+00 |
| 3800 |
.38473254E+00 .38282674E+00 .38089598E+00 .37894254E+00 .37696897E+00 |
| 3801 |
.37497807E+00 .37297287E+00 .37095659E+00 .36893261E+00 .36690442E+00 |
| 3802 |
.36487563E+00 .36284989E+00 .36083085E+00 .35882219E+00 .35682749E+00 |
| 3803 |
.35485030E+00 .35289401E+00 .35096191E+00 .34905706E+00 .34718238E+00 |
| 3804 |
.34534052E+00 .34353392E+00 .34176471E+00 .34003479E+00 .33834572E+00 |
| 3805 |
.33669879E+00 .33509493E+00 .33353480E+00 .33201871E+00 .33054663E+00 |
| 3806 |
.32911826E+00 .32773295E+00 .32638975E+00 .32508743E+00 .32382450E+00 |
| 3807 |
.32259918E+00 .32140947E+00 .32025315E+00 .31912781E+00 .31803085E+00 |
| 3808 |
.31695955E+00 .31591105E+00 .31488241E+00 .31387062E+00 .31287264E+00 |
| 3809 |
.31188540E+00 .31090587E+00 .30993106E+00 .30895805E+00 .30798401E+00 |
| 3810 |
.30700625E+00 .30602221E+00 .30502951E+00 .30402592E+00 .30300946E+00 |
| 3811 |
.30197832E+00 .30093095E+00 .29986602E+00 .29878246E+00 .29767946E+00 |
| 3812 |
.29655644E+00 .29541311E+00 .29424942E+00 .29306559E+00 .29186206E+00 |
| 3813 |
.29063955E+00 .28939897E+00 .28814149E+00 .28686844E+00 .28558136E+00 |
| 3814 |
.28428197E+00 .28297213E+00 .28165382E+00 .28032916E+00 .27900034E+00 |
| 3815 |
.27766963E+00 .27633933E+00 .27501179E+00 .27368934E+00 .27237430E+00 |
| 3816 |
.27106894E+00 .26977549E+00 .26849606E+00 .26723268E+00 .26598726E+00 |
| 3817 |
.26476157E+00 .26355722E+00 .26237566E+00 .26121818E+00 .26008586E+00 |
| 3818 |
.25897959E+00 .25790008E+00 .25684781E+00 .25582306E+00 .25482591E+00 |
| 3819 |
.25385623E+00 .25291367E+00 .25199772E+00 .25110764E+00 .25024254E+00 |
| 3820 |
.24940133E+00 .24858278E+00 .24778552E+00 .24700803E+00 .24624869E+00 |
| 3821 |
.24550578E+00 .24477747E+00 .24406190E+00 .24335715E+00 .24266125E+00 |
| 3822 |
.24197226E+00 .24128820E+00 .24060715E+00 .23992721E+00 .23924657E+00 |
| 3823 |
.23856345E+00 .23787620E+00 .23718326E+00 .23648318E+00 .23577464E+00 |
| 3824 |
.23505648E+00 .23432765E+00 .23358730E+00 .23283470E+00 .23206930E+00 |
| 3825 |
.23129074E+00 .23049880E+00 .22969344E+00 .22887479E+00 .22804315E+00 |
| 3826 |
.22719895E+00 .22634282E+00 .22547549E+00 .22459785E+00 .22371090E+00 |
| 3827 |
.22281576E+00 .22191365E+00 .22100589E+00 .22009385E+00 .21917899E+00 |
| 3828 |
.21826279E+00 .21734679E+00 .21643251E+00 .21552151E+00 .21461531E+00 |
| 3829 |
.21371541E+00 .21282327E+00 .21194030E+00 .21106783E+00 .21020712E+00 |
| 3830 |
.20935932E+00 .20852550E+00 .20770662E+00 .20690351E+00 .20611688E+00 |
| 3831 |
.20534731E+00 .20459524E+00 .20386099E+00 .20314472E+00 .20244647E+00 |
| 3832 |
.20176612E+00 .20110343E+00 .20045804E+00 .19982942E+00 .19921696E+00 |
| 3833 |
.19861993E+00 .19803748E+00 .19746867E+00 .19691247E+00 .19636779E+00 |
| 3834 |
.19583345E+00 .19530823E+00 .19479088E+00 .19428008E+00 .19377454E+00 |
| 3835 |
.19327293E+00 .19277395E+00 .19227630E+00 .19177873E+00 .19128003E+00 |
| 3836 |
.19077902E+00 .19027463E+00 .18976581E+00 .18925164E+00 .18873125E+00 |
| 3837 |
.18820390E+00 .18766893E+00 .18712580E+00 .18657407E+00 .18601343E+00 |
| 3838 |
.18544366E+00 .18486468E+00 .18427653E+00 .18367934E+00 .18307336E+00 |
| 3839 |
.18245897E+00 .18183663E+00 .18120690E+00 .18057043E+00 .17992795E+00 |
| 3840 |
.17928028E+00 .17862829E+00 .17797292E+00 .17731514E+00 .17665599E+00 |
| 3841 |
.17599649E+00 .17533773E+00 .17468077E+00 .17402668E+00 .17337651E+00 |
| 3842 |
.17273128E+00 .17209201E+00 .17145962E+00 .17083504E+00 .17021908E+00 |
| 3843 |
.16961253E+00 .16901607E+00 .16843034E+00 .16785584E+00 .16729304E+00 |
| 3844 |
.16674226E+00 .16620377E+00 .16567772E+00 .16516416E+00 .16466305E+00 |
| 3845 |
.16417424E+00 .16369750E+00 .16323250E+00 .16277882E+00 .16233597E+00 |
| 3846 |
.16190338E+00 .16148038E+00 .16106628E+00 .16066029E+00 .16026161E+00 |
| 3847 |
.15986936E+00 .15948266E+00 .15910059E+00 .15872220E+00 .15834656E+00 |
| 3848 |
.15797274E+00 .15759979E+00 .15722681E+00 .15685292E+00 .15647729E+00 |
| 3849 |
.15609910E+00 .15571761E+00 .15533214E+00 .15494205E+00 .15454679E+00 |
| 3850 |
.15414587E+00 .15373889E+00 .15332551E+00 .15290550E+00 .15247869E+00 |
| 3851 |
.15204501E+00 .15160447E+00 .15115717E+00 .15070328E+00 .15024306E+00 |
| 3852 |
.14977685E+00 .14930505E+00 .14882814E+00 .14834665E+00 .14786118E+00 |
| 3853 |
.14737238E+00 .14688092E+00 .14638754E+00 .14589300E+00 .14539806E+00 |
| 3854 |
.14490354E+00 .14441021E+00 .14391889E+00 .14343036E+00 .14294540E+00 |
| 3855 |
.14246476E+00 .14198915E+00 .14151925E+00 .14105571E+00 .14059910E+00 |
| 3856 |
.14014996E+00 .13970877E+00 .13927593E+00 .13885178E+00 .13843659E+00 |
| 3857 |
.13803056E+00 .13763383E+00 .13724643E+00 .13686835E+00 .13649948E+00 |
| 3858 |
.13613966E+00 .13578864E+00 .13544611E+00 .13511171E+00 .13478500E+00 |
| 3859 |
.13446548E+00 .13415263E+00 .13384585E+00 .13354452E+00 .13324799E+00 |
| 3860 |
.13295557E+00 .13266656E+00 .13238023E+00 .13209586E+00 .13181273E+00 |
| 3861 |
.13153012E+00 .13124732E+00 .13096365E+00 .13067845E+00 .13039111E+00 |
| 3862 |
.13010103E+00 .12980768E+00 .12951055E+00 .12920922E+00 .12890329E+00 |
| 3863 |
.12859244E+00 .12827640E+00 .12795499E+00 .12762805E+00 .12729554E+00 |
| 3864 |
.12695744E+00 .12661382E+00 .12626482E+00 .12591063E+00 .12555151E+00 |
| 3865 |
.12518776E+00 .12481975E+00 .12444790E+00 .12407269E+00 .12369460E+00 |
| 3866 |
.12331418E+00 .12293200E+00 .12254866E+00 .12216478E+00 .12178098E+00 |
| 3867 |
.12139790E+00 .12101618E+00 .12063646E+00 .12025935E+00 .11988545E+00 |
| 3868 |
.11951535E+00 .11914960E+00 .11878872E+00 .11843318E+00 .11808343E+00 |
| 3869 |
.11773986E+00 .11740281E+00 .11707256E+00 .11674936E+00 .11643337E+00 |
| 3870 |
.11612472E+00 .11582347E+00 .11552960E+00 .11524306E+00 .11496374E+00 |
| 3871 |
.11469144E+00 .11442595E+00 .11416697E+00 .11391417E+00 .11366717E+00 |
| 3872 |
.11342554E+00 .11318884E+00 .11295655E+00 .11272816E+00 .11250313E+00 |
| 3873 |
.11228088E+00 .11206084E+00 .11184242E+00 .11162503E+00 .11140810E+00 |
| 3874 |
.11119104E+00 .11097329E+00 .11075431E+00 .11053359E+00 .11031063E+00 |
| 3875 |
.11008499E+00 .10985625E+00 .10962403E+00 .10938800E+00 .10914789E+00 |
| 3876 |
.10890345E+00 .10865450E+00 .10840093E+00 .10814264E+00 .10787962E+00 |
| 3877 |
.10761191E+00 .10733958E+00 .10706278E+00 .10678170E+00 .10649658E+00 |
| 3878 |
.10620769E+00 .10591537E+00 .10561998E+00 .10532192E+00 .10502162E+00 |
| 3879 |
.10471954E+00 .10441617E+00 .10411201E+00 .10380756E+00 .10350335E+00 |
| 3880 |
.10319991E+00 .10289777E+00 .10259743E+00 .10229940E+00 .10200418E+00 |
| 3881 |
.10171222E+00 .10142397E+00 .10113985E+00 .10086023E+00 .10058546E+00 |
| 3882 |
.10031584E+00 .10005162E+00 .99793034E-01 .99540245E-01 .99293377E-01 |
| 3883 |
.99052504E-01 .98817651E-01 .98588793E-01 .98365858E-01 .98148724E-01 |
| 3884 |
.97937225E-01 .97731147E-01 .97530237E-01 .97334202E-01 .97142709E-01 |
| 3885 |
.96955397E-01 .96771871E-01 .96591713E-01 .96414480E-01 .96239713E-01 |
| 3886 |
.96066940E-01 .95895679E-01 .95725442E-01 .95555746E-01 .95386107E-01 |
| 3887 |
.95216055E-01 .95045131E-01 .94872896E-01 .94698932E-01 .94522846E-01 |
| 3888 |
.94344276E-01 .94162891E-01 .93978395E-01 .93790532E-01 .93599082E-01 |
| 3889 |
.93403871E-01 .93204764E-01 .93001674E-01 .92794556E-01 .92583411E-01 |
| 3890 |
.92368286E-01 .92149271E-01 .91926498E-01 .91700141E-01 .91470413E-01 |
| 3891 |
.91237566E-01 .91001884E-01 .90763683E-01 .90523308E-01 .90281128E-01 |
| 3892 |
.90037534E-01 .89792935E-01 .89547752E-01 .89302418E-01 .89057370E-01 |
| 3893 |
.88813047E-01 .88569884E-01 .88328311E-01 .88088743E-01 .87851584E-01 |
| 3894 |
.87617217E-01 .87386003E-01 .87158276E-01 .86934344E-01 .86714482E-01 |
| 3895 |
.86498932E-01 .86287900E-01 .86081555E-01 .85880026E-01 .85683402E-01 |
| 3896 |
.85491732E-01 .85305023E-01 .85123242E-01 .84946313E-01 .84774125E-01 |
| 3897 |
.84606523E-01 .84443320E-01 .84284292E-01 .84129183E-01 .83977708E-01 |
| 3898 |
.83829555E-01 .83684387E-01 .83541847E-01 .83401561E-01 .83263141E-01 |
| 3899 |
.83126188E-01 .82990297E-01 .82855060E-01 .82720073E-01 .82584933E-01 |
| 3900 |
.82449250E-01 .82312643E-01 .82174750E-01 .82035227E-01 .81893753E-01 |
| 3901 |
.81750031E-01 .81603794E-01 .81454803E-01 .81302851E-01 .81147768E-01 |
| 3902 |
.80989416E-01 .80827694E-01 .80662540E-01 .80493929E-01 .80321872E-01 |
| 3903 |
.80146420E-01 .79967660E-01 .79785713E-01 .79600737E-01 .79412920E-01 |
| 3904 |
.79222482E-01 .79029671E-01 .78834760E-01 .78638045E-01 .78439844E-01 |
| 3905 |
.78240491E-01 .78040334E-01 .77839732E-01 .77639049E-01 .77438658E-01 |
| 3906 |
.77238926E-01 .77040221E-01 .76842902E-01 .76647319E-01 .76453807E-01 |
| 3907 |
.76262685E-01 .76074254E-01 .75888790E-01 .75706547E-01 .75527750E-01 |
| 3908 |
.75352598E-01 .75181256E-01 .75013859E-01 .74850509E-01 .74691274E-01 |
| 3909 |
.74536187E-01 .74385246E-01 .74238414E-01 .74095622E-01 .73956766E-01 |
| 3910 |
.73821710E-01 .73690288E-01 .73562306E-01 .73437542E-01 .73315749E-01 |
| 3911 |
.73196658E-01 .73079982E-01 .72965415E-01 .72852638E-01 .72741320E-01 |
| 3912 |
.72631122E-01 .72521701E-01 .72412713E-01 .72303815E-01 .72194667E-01 |
| 3913 |
gradient corrections used for XC |
| 3914 |
5 |
| 3915 |
atomic pseudo charge-density |
| 3916 |
.60000000E+01 .59917682E+01 .59671789E+01 .59265479E+01 .58703891E+01 |
| 3917 |
.57993990E+01 .57144341E+01 .56164855E+01 .55066511E+01 .53861066E+01 |
| 3918 |
.52560766E+01 .51178084E+01 .49725469E+01 .48215134E+01 .46658876E+01 |
| 3919 |
.45067929E+01 .43452859E+01 .41823479E+01 .40188803E+01 .38557025E+01 |
| 3920 |
.36935506E+01 .35330797E+01 .33748662E+01 .32194109E+01 .30671444E+01 |
| 3921 |
.29184307E+01 .27735730E+01 .26328185E+01 .24963632E+01 .23643571E+01 |
| 3922 |
.22369087E+01 .21140897E+01 .19959388E+01 .18824658E+01 .17736551E+01 |
| 3923 |
.16694691E+01 .15698510E+01 .14747279E+01 .13840130E+01 .12976078E+01 |
| 3924 |
.12154045E+01 .11372872E+01 .10631344E+01 .99281940E+00 .92621249E+00 |
| 3925 |
.86318152E+00 .80359313E+00 .74731357E+00 .69420942E+00 .64414831E+00 |
| 3926 |
.59699943E+00 .55263402E+00 .51092580E+00 .47175127E+00 .43498998E+00 |
| 3927 |
.40052480E+00 .36824205E+00 .33803164E+00 .30978717E+00 .28340598E+00 |
| 3928 |
.25878921E+00 .23584178E+00 .21447237E+00 .19459343E+00 .17612108E+00 |
| 3929 |
.15897509E+00 .14307879E+00 .12835897E+00 .11474584E+00 .10217290E+00 |
| 3930 |
.90576828E-01 .79897428E-01 .70077479E-01 .61062654E-01 .52801404E-01 |
| 3931 |
.45244856E-01 .38346707E-01 .32063120E-01 .26352622E-01 .21176003E-01 |
| 3932 |
.16496215E-01 .12278281E-01 .84891979E-02 .50978486E-02 .20749112E-02 |
| 3933 |
-.60722392E-03 -.29745366E-02 -.50514558E-02 -.68609362E-02 -.84245308E-02 |
| 3934 |
-.97624615E-02 -.10893686E-01 -.11835965E-01 -.12605919E-01 -.13219093E-01 |
| 3935 |
-.13690009E-01 -.14032225E-01 -.14258381E-01 -.14380251E-01 -.14408793E-01 |
| 3936 |
-.14354189E-01 -.14225891E-01 -.14032660E-01 -.13782607E-01 -.13483228E-01 |
| 3937 |
-.13141441E-01 -.12763619E-01 -.12355619E-01 -.11922818E-01 -.11470137E-01 |
| 3938 |
-.11002072E-01 -.10522716E-01 -.10035788E-01 -.95446538E-02 -.90523500E-02 |
| 3939 |
-.85616040E-02 -.80748545E-02 -.75942711E-02 -.71217719E-02 -.66590412E-02 |
| 3940 |
-.62075454E-02 -.57685488E-02 -.53431281E-02 -.49321863E-02 -.45364660E-02 |
| 3941 |
-.41565619E-02 -.37929322E-02 -.34459103E-02 -.31157151E-02 -.28024608E-02 |
| 3942 |
-.25061667E-02 -.22267656E-02 -.19641127E-02 -.17179931E-02 -.14881294E-02 |
| 3943 |
-.12741886E-02 -.10757886E-02 -.89250485E-03 -.72387531E-03 -.56940653E-03 |
| 3944 |
-.42857839E-03 -.30084889E-03 -.18565853E-03 -.82434402E-04 .94060408E-05 |
| 3945 |
.90451458E-04 .16129340E-03 .22252332E-03 .27472986E-03 .31849633E-03 |
| 3946 |
.35439845E-03 .38300228E-03 .40486239E-03 .42052015E-03 .43050232E-03 |
| 3947 |
.43531967E-03 .43546591E-03 .43141669E-03 .42362876E-03 .41253930E-03 |
| 3948 |
.39856538E-03 .38210349E-03 .36352929E-03 .34319737E-03 .32144120E-03 |
| 3949 |
.29857309E-03 .27488433E-03 .25064534E-03 .22610596E-03 .20149575E-03 |
| 3950 |
.17702443E-03 .15288230E-03 .12924076E-03 .10625290E-03 .84054063E-04 |
| 3951 |
.62762536E-04 .42480190E-04 .23293206E-04 .52728069E-05 -.11523997E-04 |
| 3952 |
-.27053634E-04 -.41285196E-04 -.54199648E-04 -.65789036E-04 -.76055698E-04 |
| 3953 |
-.85011472E-04 -.92676912E-04 -.99080513E-04 -.10425795E-03 -.10825132E-03 |
| 3954 |
-.11110843E-03 -.11288204E-03 -.11362924E-03 -.11341070E-03 -.11229009E-03 |
| 3955 |
-.11033340E-03 -.10760841E-03 -.10418409E-03 -.10013005E-03 -.95516074E-04 |
| 3956 |
-.90411625E-04 -.84885403E-04 -.79004941E-04 -.72836222E-04 -.66443339E-04 |
| 3957 |
-.59888174E-04 -.53230123E-04 -.46525844E-04 -.39829037E-04 -.33190254E-04 |
| 3958 |
-.26656746E-04 -.20272330E-04 -.14077288E-04 -.81082945E-05 -.23983708E-05 |
| 3959 |
.30231404E-05 .81305709E-05 .12901903E-04 .17318722E-04 .21366154E-04 |
| 3960 |
.25032774E-04 .28310510E-04 .31194523E-04 .33683071E-04 .35777367E-04 |
| 3961 |
.37481423E-04 .38801876E-04 .39747820E-04 .40330618E-04 .40563715E-04 |
| 3962 |
.40462443E-04 .40043828E-04 .39326388E-04 .38329937E-04 .37075387E-04 |
| 3963 |
.35584548E-04 .33879943E-04 .31984612E-04 .29921930E-04 .27715431E-04 |
| 3964 |
.25388634E-04 .22964881E-04 .20467181E-04 .17918061E-04 .15339435E-04 |
| 3965 |
.12752470E-04 .10177472E-04 .76337790E-05 .51396670E-05 .27122626E-05 |
| 3966 |
.36747166E-06 -.18800836E-05 -.40171154E-05 -.60317107E-05 -.79133600E-05 |
| 3967 |
-.96529757E-05 -.11242900E-04 -.12676905E-04 -.13950176E-04 -.15059296E-04 |
| 3968 |
-.16002213E-04 -.16778201E-04 -.17387818E-04 -.17832850E-04 -.18116252E-04 |
| 3969 |
-.18242083E-04 -.18215435E-04 -.18042359E-04 -.17729783E-04 -.17285432E-04 |
| 3970 |
-.16717741E-04 -.16035770E-04 -.15249111E-04 -.14367805E-04 -.13402245E-04 |
| 3971 |
-.12363095E-04 -.11261198E-04 -.10107488E-04 -.89129121E-05 -.76883443E-05 |
| 3972 |
-.64445099E-05 -.51919113E-05 -.39407569E-05 -.27008960E-05 -.14817571E-05 |
| 3973 |
-.29229229E-06 .85907414E-06 .19644910E-05 .30167200E-05 .40091707E-05 |
| 3974 |
.49359281E-05 .57917760E-05 .65722140E-05 .72734684E-05 .78924981E-05 |
| 3975 |
.84269947E-05 .88753771E-05 .92367814E-05 .95110452E-05 .96986879E-05 |
| 3976 |
.98008862E-05 .98194454E-05 .97567671E-05 .96158136E-05 .94000686E-05 |
| 3977 |
.91134958E-05 .87604949E-05 .83458553E-05 .78747087E-05 .73524802E-05 |
| 3978 |
.67848387E-05 .61776463E-05 .55369089E-05 .48687256E-05 .41792398E-05 |
| 3979 |
.34745909E-05 .27608672E-05 .20440608E-05 .13300240E-05 .62442817E-06 |
| 3980 |
-.67274844E-07 -.73988911E-06 -.13885077E-05 -.20085430E-05 -.25957536E-05 |
| 3981 |
-.31462683E-05 -.36566061E-05 -.41236935E-05 -.45448774E-05 -.49179355E-05 |
| 3982 |
-.52410820E-05 -.55129711E-05 -.57326961E-05 -.58997856E-05 -.60141966E-05 |
| 3983 |
-.60763041E-05 -.60868881E-05 -.60471176E-05 -.59585325E-05 -.58230221E-05 |
| 3984 |
-.56428027E-05 -.54203921E-05 -.51585832E-05 -.48604156E-05 -.45291462E-05 |
| 3985 |
-.41682184E-05 -.37812318E-05 -.33719094E-05 -.29440665E-05 -.25015785E-05 |
| 3986 |
-.20483491E-05 -.15882795E-05 -.11252375E-05 -.66302845E-06 -.20536640E-06 |
| 3987 |
.24415270E-06 .68207665E-06 .11051209E-05 .15101907E-05 .18944013E-05 |
| 3988 |
.22550957E-05 .25898612E-05 .28965426E-05 .31732540E-05 .34183878E-05 |
| 3989 |
.36306212E-05 .38089213E-05 .39525463E-05 .40610461E-05 .41342594E-05 |
| 3990 |
.41723089E-05 .41755949E-05 .41447863E-05 .40808098E-05 .39848377E-05 |
| 3991 |
.38582733E-05 .37027357E-05 .35200423E-05 .33121910E-05 .30813405E-05 |
| 3992 |
.28297905E-05 .25599605E-05 .22743685E-05 .19756094E-05 .16663331E-05 |
| 3993 |
.13492220E-05 .10269701E-05 .70226093E-06 .37774670E-06 .56028197E-07 |
| 3994 |
-.26036489E-06 -.56899253E-06 -.86752192E-06 -.11537438E-05 -.14255877E-05 |
| 3995 |
-.16811355E-05 -.19186339E-05 -.21365050E-05 -.23333557E-05 -.25079852E-05 |
| 3996 |
-.26593909E-05 -.27867730E-05 -.28895365E-05 -.29672929E-05 -.30198589E-05 |
| 3997 |
-.30472548E-05 -.30496999E-05 -.30276079E-05 -.29815799E-05 -.29123962E-05 |
| 3998 |
-.28210073E-05 -.27085230E-05 -.25762012E-05 -.24254351E-05 -.22577400E-05 |
| 3999 |
-.20747392E-05 -.18781493E-05 -.16697650E-05 -.14514439E-05 -.12250901E-05 |
| 4000 |
-.99263919E-06 -.75604189E-06 -.51724870E-06 -.27819440E-06 -.40783164E-07 |
| 4001 |
.19312596E-06 .42173291E-06 .64330979E-06 .85621327E-06 .10588960E-05 |
| 4002 |
.12499175E-05 .14279530E-05 .15918027E-05 .17403988E-05 .18728116E-05 |
| 4003 |
.19882544E-05 .20860878E-05 .21658217E-05 .22271172E-05 .22697861E-05 |
| 4004 |
.22937907E-05 .22992407E-05 .22863909E-05 .22556358E-05 .22075048E-05 |
| 4005 |
.21426558E-05 .20618676E-05 .19660321E-05 .18561454E-05 .17332978E-05 |
| 4006 |
.15986645E-05 .14534943E-05 .12990990E-05 .11368416E-05 .96812543E-06 |
| 4007 |
.79438183E-06 .61705882E-06 .43760937E-06 .25747988E-06 .78098960E-07 |
| 4008 |
-.99133517E-07 -.27285691E-06 -.44175989E-06 -.60458990E-06 -.76016206E-06 |
| 4009 |
-.90736736E-06 -.10451802E-05 -.11726648E-05 -.12889818E-05 -.13933923E-05 |
| 4010 |
-.14852629E-05 -.15640686E-05 -.16293950E-05 -.16809403E-05 -.17185153E-05 |
| 4011 |
-.17420434E-05 -.17515594E-05 -.17472073E-05 -.17292375E-05 -.16980032E-05 |
| 4012 |
-.16539558E-05 -.15976400E-05 -.15296880E-05 -.14508129E-05 -.13618024E-05 |
| 4013 |
-.12635108E-05 -.11568517E-05 -.10427895E-05 -.92233154E-06 -.79651917E-06 |
| 4014 |
-.66641916E-06 -.53311498E-06 -.39769801E-06 -.26125892E-06 -.12487913E-06 |
| 4015 |
.10377485E-07 .14347264E-06 .27340134E-06 .39919922E-06 .51994941E-06 |
| 4016 |
.63478896E-06 .74291471E-06 .84358862E-06 .93614249E-06 .10199820E-05 |
| 4017 |
.10945904E-05 .11595310E-05 .12144494E-05 .12590751E-05 .12932221E-05 |
| 4018 |
.13167890E-05 .13297585E-05 .13321964E-05 .13242491E-05 .13061420E-05 |
| 4019 |
.12781757E-05 .12407232E-05 .11942252E-05 .11391859E-05 .10761679E-05 |
| 4020 |
.10057870E-05 .92870654E-06 .84563134E-06 .75730164E-06 .66448672E-06 |
| 4021 |
.56797846E-06 .46858480E-06 .36712315E-06 .26441394E-06 .16127411E-06 |
| 4022 |
.58510840E-07 -.43084584E-07 -.14274268E-06 -.23972139E-06 -.33331146E-06 |
| 4023 |
-.42284137E-06 -.50768199E-06 -.58725077E-06 -.66101551E-06 -.72849772E-06 |
| 4024 |
-.78927542E-06 -.84298553E-06 -.88932573E-06 -.92805581E-06 -.95899854E-06 |
| 4025 |
-.98204001E-06 -.99712946E-06 -.10042787E-05 -.10035609E-05 -.99510908E-06 |
| 4026 |
-.97911412E-06 -.95582224E-06 -.92553223E-06 -.88859224E-06 -.84539628E-06 |
| 4027 |
-.79638041E-06 -.74201862E-06 -.68281852E-06 -.61931691E-06 -.55207504E-06 |
| 4028 |
-.48167388E-06 -.40870931E-06 -.33378719E-06 -.25751852E-06 -.18051463E-06 |
| 4029 |
-.10338237E-06 -.26719534E-07 .48889673E-07 .12287892E-06 .19470384E-06 |
| 4030 |
.26384591E-06 .32981604E-06 .39215784E-06 .45045066E-06 .50431220E-06 |
| 4031 |
.55340089E-06 .59741779E-06 .63610824E-06 .66926307E-06 .69671942E-06 |
| 4032 |
.71836129E-06 .73411956E-06 .74397180E-06 .74794162E-06 .74609770E-06 |
| 4033 |
.73855250E-06 .72546064E-06 .70701697E-06 .68345439E-06 .65504139E-06 |
| 4034 |
.62207935E-06 .58489965E-06 .54386058E-06 .49934410E-06 .45175249E-06 |
| 4035 |
.40150487E-06 .34903364E-06 .29478097E-06 .23919513E-06 .18272695E-06 |
| 4036 |
.12582629E-06 .68938549E-07 .12501322E-07 -.43058875E-07 -.97329706E-07 |
| 4037 |
-.14991596E-06 -.20044230E-06 -.24855584E-06 -.29392849E-06 -.33625901E-06 |
| 4038 |
-.37527494E-06 -.41073416E-06 -.44242622E-06 -.47017345E-06 -.49383173E-06 |
| 4039 |
-.51329101E-06 -.52847558E-06 -.53934403E-06 -.54588897E-06 -.54813649E-06 |
| 4040 |
-.54614532E-06 -.54000588E-06 -.52983894E-06 -.51579416E-06 -.49804846E-06 |
| 4041 |
-.47680410E-06 -.45228674E-06 -.42474318E-06 -.39443917E-06 -.36165694E-06 |
| 4042 |
-.32669276E-06 -.28985441E-06 -.25145854E-06 -.21182812E-06 -.17128979E-06 |
| 4043 |
-.13017128E-06 -.88798891E-07 -.47494935E-07 -.65753680E-08 .33652554E-07 |
| 4044 |
.72892492E-07 .11086111E-06 .14729002E-06 .18192762E-06 .21454067E-06 |
| 4045 |
.24491580E-06 .27286079E-06 .29820565E-06 .32080356E-06 .34053152E-06 |
| 4046 |
.35729090E-06 .37100778E-06 .38163299E-06 .38914209E-06 .39353509E-06 |
| 4047 |
.39483599E-06 .39309215E-06 .38837349E-06 .38077154E-06 .37039831E-06 |
| 4048 |
.35738509E-06 .34188101E-06 .32405161E-06 .30407723E-06 .28215135E-06 |
| 4049 |
.25847886E-06 .23327422E-06 .20675970E-06 .17916344E-06 .15071762E-06 |
| 4050 |
.12165660E-06 .92215039E-07 .62626105E-07 .33119689E-07 .39206951E-08 |
| 4051 |
-.24752597E-07 -.52690095E-07 -.79691358E-07 -.10556696E-06 -.13013974E-06 |
| 4052 |
-.15324595E-06 -.17473624E-06 -.19447656E-06 -.21234887E-06 -.22825180E-06 |
| 4053 |
-.24210104E-06 -.25382974E-06 -.26338863E-06 -.27074611E-06 -.27588811E-06 |
| 4054 |
-.27881792E-06 -.27955575E-06 -.27813834E-06 -.27461828E-06 -.26906337E-06 |
| 4055 |
-.26155573E-06 -.25219095E-06 -.24107705E-06 -.22833345E-06 -.21408978E-06 |
| 4056 |
-.19848472E-06 -.18166473E-06 -.16378279E-06 -.14499707E-06 -.12546963E-06 |
| 4057 |
-.10536508E-06 -.84849265E-07 -.64087970E-07 -.43245621E-07 -.22484060E-07 |
| 4058 |
-.19613409E-08 .18169418E-07 .37761115E-07 .56673688E-07 .74775054E-07 |
| 4059 |
.91941974E-07 .10806083E-06 .12302832E-06 .13675204E-06 .14915099E-06 |
| 4060 |
.16015600E-06 .16970998E-06 .17776817E-06 .18429822E-06 .18928021E-06 |
| 4061 |
.19270655E-06 .19458179E-06 .19492237E-06 .19375623E-06 .19112240E-06 |
| 4062 |
.18707045E-06 .18165991E-06 .17495962E-06 .16704703E-06 .15800738E-06 |
| 4063 |
.14793295E-06 .13692218E-06 .12507877E-06 .11251081E-06 .99329838E-07 |
| 4064 |
.85649915E-07 .71586695E-07 .57256498E-07 .42775398E-07 .28258334E-07 |
| 4065 |
.13818240E-07 -.43478729E-09 -.14394282E-07 -.27958162E-07 -.41029432E-07 |
| 4066 |
-.53516833E-07 -.65335434E-07 -.76407165E-07 -.86661288E-07 -.96034794E-07 |
| 4067 |
-.10447275E-06 -.11192854E-06 -.11836410E-06 -.12375001E-06 -.12806557E-06 |
| 4068 |
-.13129879E-06 -.13344629E-06 -.13451320E-06 -.13451290E-06 -.13346681E-06 |
| 4069 |
-.13140400E-06 -.12836090E-06 -.12438080E-06 -.11951341E-06 -.11381435E-06 |
| 4070 |
-.10734461E-06 -.10016996E-06 -.92360356E-07 -.83989297E-07 -.75133217E-07 |
| 4071 |
-.65870815E-07 -.56282407E-07 -.46449269E-07 -.36452990E-07 -.26374834E-07 |
| 4072 |
-.16295114E-07 -.62925859E-08 .35561287E-08 .13177100E-07 .22499609E-07 |
| 4073 |
.31456639E-07 .39985322E-07 .48027346E-07 .55529326E-07 .62443121E-07 |
| 4074 |
.68726111E-07 .74341419E-07 .79258092E-07 .83451231E-07 .86902064E-07 |
| 4075 |
.89597984E-07 .91532524E-07 .92705296E-07 .93121878E-07 .92793663E-07 |
| 4076 |
.91737653E-07 .89976232E-07 .87536883E-07 .84451885E-07 .80757970E-07 |
| 4077 |
.76495956E-07 .71710350E-07 .66448940E-07 .60762354E-07 .54703620E-07 |
| 4078 |
.48327702E-07 .41691044E-07 .34851096E-07 .27865848E-07 .20793373E-07 |
| 4079 |
.13691366E-07 .66167019E-08 -.37499308E-09 -.72297542E-08 -.13895671E-07 |
| 4080 |
-.20323255E-07 -.26465788E-07 -.32279633E-07 -.37724526E-07 -.42763829E-07 |
| 4081 |
-.47364755E-07 -.51498560E-07 -.55140694E-07 -.58270921E-07 -.60873410E-07 |
| 4082 |
-.62936773E-07 -.64454090E-07 -.65422877E-07 -.65845040E-07 -.65726779E-07 |
| 4083 |
-.65078469E-07 -.63914512E-07 -.62253155E-07 -.60116282E-07 -.57529183E-07 |
| 4084 |
-.54520303E-07 -.51120960E-07 -.47365060E-07 -.43288783E-07 -.38930265E-07 |
| 4085 |
-.34329266E-07 -.29526833E-07 -.24564953E-07 -.19486211E-07 -.14333446E-07 |
| 4086 |
-.91494082E-08 -.39764231E-08 .11439326E-08 .61711490E-08 .11066085E-07 |
| 4087 |
.15791256E-07 .20311104E-07 .24592250E-07 .28603725E-07 .32317176E-07 |
| 4088 |
.35707053E-07 .38750770E-07 .41428839E-07 .43724980E-07 .45626202E-07 |
| 4089 |
.47122860E-07 .48208684E-07 .48880781E-07 .49139608E-07 .48988926E-07 |
| 4090 |
.48435724E-07 .47490115E-07 .46165220E-07 .44477022E-07 .42444198E-07 |
| 4091 |
.40087938E-07 .37431747E-07 .34501224E-07 .31323833E-07 .27928668E-07 |
| 4092 |
.24346193E-07 .20607989E-07 .16746490E-07 .12794713E-07 .87859919E-08 |
| 4093 |
.47537088E-08 .73102898E-09 -.32493587E-08 -.71554951E-08 -.10956395E-07 |
| 4094 |
-.14622282E-07 -.18124808E-07 -.21437265E-07 -.24534773E-07 -.27394460E-07 |
| 4095 |
-.29995620E-07 -.32319853E-07 -.34351183E-07 -.36076162E-07 -.37483945E-07 |
| 4096 |
-.38566352E-07 -.39317902E-07 -.39735828E-07 -.39820072E-07 -.39573258E-07 |
| 4097 |
-.39000641E-07 -.38110042E-07 -.36911758E-07 -.35418458E-07 -.33645056E-07 |
| 4098 |
-.31608577E-07 -.29327996E-07 -.26824071E-07 -.24119164E-07 -.21237046E-07 |
| 4099 |
-.18202698E-07 -.15042101E-07 -.11782020E-07 -.84497905E-08 -.50730892E-08 |
| 4100 |
-.16797180E-08 .17026196E-08 .50465364E-08 .83251756E-08 .11512419E-07 |
| 4101 |
.14583088E-07 .17513133E-07 .20279819E-07 .22861888E-07 .25239723E-07 |
| 4102 |
.27395485E-07 .29313242E-07 .30979082E-07 .32381206E-07 .33510003E-07 |
| 4103 |
.34358115E-07 .34920476E-07 .35194336E-07 .35179264E-07 .34877139E-07 |
| 4104 |
.34292118E-07 .33430584E-07 .32301084E-07 .30914248E-07 .29282688E-07 |
| 4105 |
.27420888E-07 .25345076E-07 .23073086E-07 .20624207E-07 .18019022E-07 |
| 4106 |
.15279237E-07 .12427505E-07 .94872409E-08 .64824308E-08 .34374431E-08 |
| 4107 |
.37683268E-09 -.26748531E-08 -.56932672E-08 -.86544532E-08 -.11535032E-07 |
| 4108 |
-.14312380E-07 -.16964808E-07 -.19471719E-07 -.21813770E-07 -.23973015E-07 |
| 4109 |
-.25933039E-07 -.27679077E-07 -.29198125E-07 -.30479028E-07 -.31512564E-07 |
| 4110 |
-.32291502E-07 -.32810648E-07 -.33066883E-07 -.33059167E-07 -.32788546E-07 |
| 4111 |
-.32258130E-07 -.31473058E-07 -.30440450E-07 -.29169342E-07 -.27670607E-07 |
| 4112 |
-.25956858E-07 -.24042349E-07 -.21942849E-07 -.19675514E-07 -.17258751E-07 |
| 4113 |
-.14712064E-07 -.12055899E-07 -.93114809E-08 -.65006434E-08 -.36456576E-08 |
| 4114 |
-.76905595E-09 .21065446E-08 .49586189E-08 .77649082E-08 .10503593E-07 |
| 4115 |
.13153461E-07 .15694069E-07 .18105899E-07 .20370507E-07 .22470662E-07 |
| 4116 |
24.7554104503838985 T |
| 4117 |
Non local Part |
| 4118 |
0 2 1.19823013906127396 |
| 4119 |
1.10994077959183524 1.53342233373160219 1.53342233373160219 -0.291376959654070899 |
| 4120 |
Reciprocal Space Part |
| 4121 |
.41916247E+01 .41825847E+01 .41555387E+01 .41107084E+01 .40484610E+01 |
| 4122 |
.39693053E+01 .38738873E+01 .37629841E+01 .36374959E+01 .34984375E+01 |
| 4123 |
.33469290E+01 .31841841E+01 .30114991E+01 .28302395E+01 .26418272E+01 |
| 4124 |
.24477262E+01 .22494282E+01 .20484379E+01 .18462583E+01 .16443755E+01 |
| 4125 |
.14442443E+01 .12472735E+01 .10548126E+01 .86813848E+00 .68844301E+00 |
| 4126 |
.51682202E+00 .35426518E+00 .20164722E+00 .59720666E-01 -.70890044E-01 |
| 4127 |
-.18969273E+00 -.29633001E+00 -.39058015E+00 -.47235620E+00 -.54170338E+00 |
| 4128 |
-.59879486E+00 -.64392596E+00 -.67750676E+00 -.70005339E+00 -.71217809E+00 |
| 4129 |
-.71457813E+00 -.70802382E+00 -.69334585E+00 -.67142204E+00 -.64316388E+00 |
| 4130 |
-.60950289E+00 -.57137716E+00 -.52971824E+00 -.48543852E+00 -.43941937E+00 |
| 4131 |
-.39250026E+00 -.34546882E+00 -.29905223E+00 -.25390984E+00 -.21062725E+00 |
| 4132 |
-.16971183E+00 -.13158971E+00 -.96604303E-01 -.65016283E-01 -.37004945E-01 |
| 4133 |
-.12670925E-01 .79598551E-02 .24931149E-01 .38350371E-01 .48381788E-01 |
| 4134 |
.55239058E-01 .59177307E-01 .60484919E-01 .59475206E-01 .56478136E-01 |
| 4135 |
.51832277E-01 .45877121E-01 .38945906E-01 .31359071E-01 .23418444E-01 |
| 4136 |
.15402235E-01 .75609010E-02 .11392130E-03 -.67525066E-02 -.12886855E-01 |
| 4137 |
-.18172761E-01 -.22528680E-01 -.25906755E-01 -.28290977E-01 -.29694738E-01 |
| 4138 |
-.30157854E-01 -.29743190E-01 -.28532968E-01 -.26624897E-01 -.24128204E-01 |
| 4139 |
-.21159697E-01 -.17839940E-01 -.14289626E-01 -.10626249E-01 -.69611057E-02 |
| 4140 |
-.33967125E-02 -.24653651E-04 .30761027E-02 .58404133E-02 .82176957E-02 |
| 4141 |
Real Space Part |
| 4142 |
-.12209911E+02 -.12156465E+02 -.11996746E+02 -.11732600E+02 -.11367080E+02 |
| 4143 |
-.10904404E+02 -.10349903E+02 -.97099514E+01 -.89918873E+01 -.82039151E+01 |
| 4144 |
-.73550000E+01 -.64547502E+01 -.55132907E+01 -.45411287E+01 -.35490140E+01 |
| 4145 |
-.25477947E+01 -.15482719E+01 -.56105360E+00 .40358764E+00 .13358530E+01 |
| 4146 |
.22265484E+01 .30672055E+01 .38501921E+01 .45688082E+01 .52173671E+01 |
| 4147 |
.57912593E+01 .62869985E+01 .67022486E+01 .70358309E+01 .72877116E+01 |
| 4148 |
.74589701E+01 .75517488E+01 .75691844E+01 .75153242E+01 .73950278E+01 |
| 4149 |
.72138561E+01 .69779520E+01 .66939128E+01 .63686597E+01 .60093047E+01 |
| 4150 |
.56230197E+01 .52169103E+01 .47978951E+01 .43725954E+01 .39472355E+01 |
| 4151 |
.35275565E+01 .31187441E+01 .27253720E+01 .23513613E+01 .19999558E+01 |
| 4152 |
.16737134E+01 .13745126E+01 .11035728E+01 .86148821E+00 .64827189E+00 |
| 4153 |
.46341029E+00 .30592455E+00 .17443747E+00 .67243739E-01 -.17618413E-01 |
| 4154 |
-.82296239E-01 -.12905384E+00 -.16020751E+00 -.17806636E+00 -.18487943E+00 |
| 4155 |
-.18279001E+00 -.17379778E+00 -.15972907E+00 -.14221522E+00 -.12267879E+00 |
| 4156 |
-.10232730E+00 -.82153699E-01 -.62942943E-01 -.45283648E-01 -.29583985E-01 |
| 4157 |
-.16090730E-01 -.49105123E-02 .39677126E-02 .10649843E-01 .15314281E-01 |
| 4158 |
.18190739E-01 .19540772E-01 .19640479E-01 .18765672E-01 .17179704E-01 |
| 4159 |
.15123994E-01 .12811214E-01 .10420974E-01 .80977811E-02 .59509921E-02 |
| 4160 |
.40564286E-02 .24593019E-02 .11780974E-02 .20907384E-03 -.46894317E-03 |
| 4161 |
-.88975727E-03 -.10952287E-02 -.11311262E-02 -.10435471E-02 -.87599685E-03 |
| 4162 |
Reciprocal Space Part |
| 4163 |
.74573153E+01 .74205324E+01 .73105035E+01 .71281866E+01 .68751723E+01 |
| 4164 |
.65536755E+01 .61665220E+01 .57171327E+01 .52095018E+01 .46481714E+01 |
| 4165 |
.40382008E+01 .33851306E+01 .26949407E+01 .19740037E+01 .12290314E+01 |
| 4166 |
.46701580E+00 -.30483477E+00 -.10791659E+01 -.18485513E+01 -.26055719E+01 |
| 4167 |
-.33428971E+01 -.40533700E+01 -.47300925E+01 -.53665105E+01 -.59564989E+01 |
| 4168 |
-.64944419E+01 -.69753105E+01 -.73947331E+01 -.77490593E+01 -.80354149E+01 |
| 4169 |
-.82517461E+01 -.83968535E+01 -.84704128E+01 -.84729835E+01 -.84060025E+01 |
| 4170 |
-.82717655E+01 -.80733934E+01 -.78147852E+01 -.75005585E+01 -.71359771E+01 |
| 4171 |
-.67268679E+01 -.62795286E+01 -.58006267E+01 -.52970927E+01 -.47760092E+01 |
| 4172 |
-.42444981E+01 -.37096071E+01 -.31781994E+01 -.26568473E+01 -.21517323E+01 |
| 4173 |
-.16685537E+01 -.12124471E+01 -.78791534E+00 -.39877098E+00 -.48094094E-01 |
| 4174 |
.26179610E+00 .52935445E+00 .75380808E+00 .93513994E+00 .10740583E+01 |
| 4175 |
.11719530E+01 .12308401E+01 .12532955E+01 .12423801E+01 .12015583E+01 |
| 4176 |
.11346105E+01 .10455433E+01 .93849855E+00 .81766341E+00 .68718315E+00 |
| 4177 |
.55107898E+00 .41317216E+00 .27701602E+00 .14583714E+00 .22486520E-01 |
| 4178 |
-.90598413E-01 -.19142056E+00 -.27843862E+00 -.35057128E+00 -.40719064E+00 |
| 4179 |
-.44810548E+00 -.47353521E+00 -.48407567E+00 -.48065789E+00 -.46450122E+00 |
| 4180 |
-.43706235E+00 -.39998148E+00 -.35502741E+00 -.30404270E+00 -.24889052E+00 |
| 4181 |
-.19140434E+00 -.13334157E+00 -.76342240E-01 -.21893397E-01 .28700093E-01 |
| 4182 |
.74337975E-01 .11414004E+00 .14745461E+00 .17386013E+00 .19316046E+00 |
| 4183 |
Real Space Part |
| 4184 |
-.14450582E+03 -.14434158E+03 -.14384692E+03 -.14301613E+03 -.14184006E+03 |
| 4185 |
-.14030674E+03 -.13840209E+03 -.13611089E+03 -.13341784E+03 -.13030866E+03 |
| 4186 |
-.12677136E+03 -.12279734E+03 -.11838257E+03 -.11352859E+03 -.10824339E+03 |
| 4187 |
-.10254210E+03 -.96447492E+02 -.89990226E+02 -.83208815E+02 -.76149381E+02 |
| 4188 |
-.68865127E+02 -.61415564E+02 -.53865525E+02 -.46283974E+02 -.38742660E+02 |
| 4189 |
-.31314650E+02 -.24072789E+02 -.17088132E+02 -.10428398E+02 -.41564905E+01 |
| 4190 |
.16708644E+01 .70043321E+01 .11802990E+02 .16035133E+02 .19678836E+02 |
| 4191 |
.22722270E+02 .25163755E+02 .27011560E+02 .28283456E+02 .29006050E+02 |
| 4192 |
.29213914E+02 .28948539E+02 .28257163E+02 .27191494E+02 .25806374E+02 |
| 4193 |
.24158431E+02 .22304747E+02 .20301581E+02 .18203183E+02 .16060736E+02 |
| 4194 |
.13921425E+02 .11827682E+02 .98165975E+01 .79195094E+01 .61617801E+01 |
| 4195 |
.45627407E+01 .31358031E+01 .18887196E+01 .82397384E+00 -.60720401E-01 |
| 4196 |
-.77183450E+00 -.13193800E+01 -.17162274E+01 -.19774128E+01 -.21194552E+01 |
| 4197 |
-.21597028E+01 -.21157294E+01 -.20047908E+01 -.18433559E+01 -.16467180E+01 |
| 4198 |
-.14286910E+01 -.12013912E+01 -.97510211E+00 -.75821818E+00 -.55725868E+00 |
| 4199 |
-.37694436E+00 -.22032548E+00 -.88950652E-01 .16934939E-01 .98173080E-01 |
| 4200 |
.15646828E+00 .19416536E+00 .21403714E+00 .21908924E+00 .21238723E+00 |
| 4201 |
.19691002E+00 .17543163E+00 .15043210E+00 .12403694E+00 .97983416E-01 |
| 4202 |
.73610913E-01 .51872133E-01 .33361169E-01 .18354475E-01 .68606192E-02 |
| 4203 |
-.13250790E-02 -.65645922E-02 -.93230150E-02 -.10118734E-01 -.94798863E-02 |
| 4204 |
Non local Part |
| 4205 |
1 2 1.19823013906127396 |
| 4206 |
6.12884028017874360 -3.81892483499089330 -3.81892483499089330 1.42081284536133179 |
| 4207 |
Reciprocal Space Part |
| 4208 |
.00000000E+00 .24190713E+00 .48134296E+00 .71587281E+00 .94313460E+00 |
| 4209 |
.11608735E+01 .13669746E+01 .15594931E+01 .17366816E+01 .18970136E+01 |
| 4210 |
.20392032E+01 .21622207E+01 .22653035E+01 .23479626E+01 .24099842E+01 |
| 4211 |
.24514270E+01 .24726145E+01 .24741237E+01 .24567692E+01 .24215837E+01 |
| 4212 |
.23697959E+01 .23028052E+01 .22221538E+01 .21294985E+01 .20265799E+01 |
| 4213 |
.19151923E+01 .17971534E+01 .16742740E+01 .15483304E+01 .14210370E+01 |
| 4214 |
.12940221E+01 .11688056E+01 .10467802E+01 .92919538E+00 .81714463E+00 |
| 4215 |
.71155640E+00 .61318834E+00 .52262508E+00 .44027930E+00 .36639596E+00 |
| 4216 |
.30105950E+00 .24420362E+00 .19562346E+00 .15498971E+00 .12186422E+00 |
| 4217 |
.95716908E-01 .75943293E-01 .61882440E-01 .52834833E-01 .48079811E-01 |
| 4218 |
.46892228E-01 .48558017E-01 .52388387E-01 .57732421E-01 .63987899E-01 |
| 4219 |
.70610211E-01 .77119283E-01 .83104495E-01 .88227596E-01 .92223688E-01 |
| 4220 |
.94900397E-01 .96135352E-01 .95872176E-01 .94115169E-01 .90922917E-01 |
| 4221 |
.86401051E-01 .80694419E-01 .73978879E-01 .66452981E-01 .58329740E-01 |
| 4222 |
.49828715E-01 .41168581E-01 .32560350E-01 .24201382E-01 .16270280E-01 |
| 4223 |
.89227536E-02 .22884849E-02 -.35309816E-02 -.84633498E-02 -.12465719E-01 |
| 4224 |
-.15523834E-01 -.17650532E-01 -.18883476E-01 -.19282310E-01 -.18925339E-01 |
| 4225 |
-.17905890E-01 -.16328465E-01 -.14304828E-01 -.11950138E-01 -.93792522E-02 |
| 4226 |
-.67032934E-02 -.40265698E-02 -.14439170E-02 .96148255E-03 .31197699E-02 |
| 4227 |
.49755497E-02 .64885011E-02 .76334748E-02 .84001065E-02 .87919916E-02 |
| 4228 |
Real Space Part |
| 4229 |
.00000000E+00 .79674956E+00 .15859159E+01 .23600635E+01 .31120483E+01 |
| 4230 |
.38351532E+01 .45232120E+01 .51707187E+01 .57729178E+01 .63258763E+01 |
| 4231 |
.68265322E+01 .72727217E+01 .76631830E+01 .79975380E+01 .82762527E+01 |
| 4232 |
.85005780E+01 .86724745E+01 .87945214E+01 .88698160E+01 .89018646E+01 |
| 4233 |
.88944696E+01 .88516162E+01 .87773614E+01 .86757301E+01 .85506195E+01 |
| 4234 |
.84057148E+01 .82444190E+01 .80697972E+01 .78845365E+01 .76909225E+01 |
| 4235 |
.74908310E+01 .72857355E+01 .70767279E+01 .68645513E+01 .66496437E+01 |
| 4236 |
.64321882E+01 .62121700E+01 .59894356E+01 .57637521E+01 .55348655E+01 |
| 4237 |
.53025546E+01 .50666788E+01 .48272185E+01 .45843073E+01 .43382543E+01 |
| 4238 |
.40895568E+01 .38389031E+01 .35871659E+01 .33353872E+01 .30847548E+01 |
| 4239 |
.28365735E+01 .25922301E+01 .23531559E+01 .21207871E+01 .18965247E+01 |
| 4240 |
.16816961E+01 .14775193E+01 .12850711E+01 .11052602E+01 .93880647E+00 |
| 4241 |
.78622548E+00 .64782090E+00 .52368250E+00 .41369091E+00 .31752808E+00 |
| 4242 |
.23469302E+00 .16452201E+00 .10621225E+00 .58848150E-01 .21429047E-01 |
| 4243 |
-.71024369E-02 -.27832509E-01 -.41849597E-01 -.50219785E-01 -.53964937E-01 |
| 4244 |
-.54044003E-01 -.51337836E-01 -.46637720E-01 -.40637642E-01 -.33930212E-01 |
| 4245 |
-.27006003E-01 -.20256005E-01 -.13976760E-01 -.83777375E-02 -.35904248E-02 |
| 4246 |
.32136120E-03 .33504644E-02 .55351505E-02 .69480767E-02 .76858459E-02 |
| 4247 |
.78594557E-02 .75858795E-02 .69809449E-02 .61535968E-02 .52015693E-02 |
| 4248 |
.42084251E-02 .32418692E-02 .23532017E-02 .15777427E-02 .93604221E-03 |
| 4249 |
Reciprocal Space Part |
| 4250 |
.00000000E+00 .31744093E+00 .62796632E+00 .92479987E+00 .12014407E+01 |
| 4251 |
.14517937E+01 .16702913E+01 .18520039E+01 .19927369E+01 .20891120E+01 |
| 4252 |
.21386315E+01 .21397237E+01 .20917694E+01 .19951083E+01 .18510259E+01 |
| 4253 |
.16617203E+01 .14302515E+01 .11604730E+01 .85694736E+00 .52484880E+00 |
| 4254 |
.16985417E+00 -.20197520E+00 -.58431776E+00 -.97071968E+00 -.13547235E+01 |
| 4255 |
-.17299949E+01 -.20904447E+01 -.24303437E+01 -.27444280E+01 -.30279929E+01 |
| 4256 |
-.32769731E+01 -.34880080E+01 -.36584915E+01 -.37866046E+01 -.38713313E+01 |
| 4257 |
-.39124572E+01 -.39105517E+01 -.38669350E+01 -.37836290E+01 -.36632969E+01 |
| 4258 |
-.35091693E+01 -.33249628E+01 -.31147888E+01 -.28830588E+01 -.26343861E+01 |
| 4259 |
-.23734858E+01 -.21050774E+01 -.18337905E+01 -.15640757E+01 -.13001231E+01 |
| 4260 |
-.10457895E+01 -.80453601E+00 -.57937641E+00 -.37283792E+00 -.18693396E+00 |
| 4261 |
-.23149557E-01 .11756098E+00 .23476454E+00 .32852852E+00 .39939002E+00 |
| 4262 |
.44831599E+00 .47665573E+00 .48608716E+00 .47855846E+00 .45622663E+00 |
| 4263 |
.42139471E+00 .37644900E+00 .32379812E+00 .26581491E+00 .20478287E+00 |
| 4264 |
.14284783E+00 .81976051E-01 .23919311E-01 -.29812460E-01 -.77970740E-01 |
| 4265 |
-.11958010E+00 -.15394216E+00 -.18063212E+00 -.19948839E+00 -.21059606E+00 |
| 4266 |
-.21426485E+00 -.21100257E+00 -.20148507E+00 -.18652355E+00 -.16703047E+00 |
| 4267 |
-.14398496E+00 -.11839869E+00 -.91283257E-01 -.63619700E-01 -.36331110E-01 |
| 4268 |
-.10258728E-01 .13857887E-01 .35396331E-01 .53862293E-01 .68895888E-01 |
| 4269 |
.80273504E-01 .87905366E-01 .91829151E-01 .92200087E-01 .89278037E-01 |
| 4270 |
Real Space Part |
| 4271 |
.00000000E+00 -.20833035E+01 -.41655263E+01 -.62451081E+01 -.83195511E+01 |
| 4272 |
-.10385006E+02 -.12435921E+02 -.14464767E+02 -.16461863E+02 -.18415296E+02 |
| 4273 |
-.20310962E+02 -.22132707E+02 -.23862587E+02 -.25481222E+02 -.26968246E+02 |
| 4274 |
-.28302832E+02 -.29464273E+02 -.30432608E+02 -.31189254E+02 -.31717642E+02 |
| 4275 |
-.32003813E+02 -.32036975E+02 -.31809978E+02 -.31319701E+02 -.30567341E+02 |
| 4276 |
-.29558576E+02 -.28303611E+02 -.26817098E+02 -.25117923E+02 -.23228879E+02 |
| 4277 |
-.21176227E+02 -.18989155E+02 -.16699160E+02 -.14339360E+02 -.11943772E+02 |
| 4278 |
-.95465606E+01 -.71812913E+01 -.48802088E+01 -.26735552E+01 -.58895310E+00 |
| 4279 |
.13491329E+01 .31198413E+01 .47062558E+01 .60956367E+01 .72795389E+01 |
| 4280 |
.82538163E+01 .90185169E+01 .95776756E+01 .99390140E+01 .10113561E+02 |
| 4281 |
.10115209E+02 .99602166E+01 .96666821E+01 .92540003E+01 .87423176E+01 |
| 4282 |
.81520050E+01 .75031602E+01 .68151530E+01 .61062235E+01 .53931413E+01 |
| 4283 |
.46909323E+01 .40126745E+01 .33693654E+01 .27698580E+01 .22208628E+01 |
| 4284 |
.17270086E+01 .12909577E+01 .91356460E+00 .59407062E+00 .33032511E+00 |
| 4285 |
.11902304E+00 -.44049687E-01 -.16377201E+00 -.24545238E+00 -.29460892E+00 |
| 4286 |
-.31677078E+00 -.31730480E+00 -.30127048E+00 -.27330483E+00 -.23753750E+00 |
| 4287 |
-.19753537E+00 -.15627485E+00 -.11613935E+00 -.78938581E-01 -.45946163E-01 |
| 4288 |
-.17951420E-01 .46784902E-02 .21930096E-01 .34072423E-01 .41586401E-01 |
| 4289 |
.45097684E-01 .45315224E-01 .42977316E-01 .38806326E-01 .33472725E-01 |
| 4290 |
.27568557E-01 .21590035E-01 .15928553E-01 .10869144E-01 .65951677E-02 |
| 4291 |
PAW radial sets |
| 4292 |
321 0.721520152002725790 |
| 4293 |
(5E20.12) |
| 4294 |
augmentation charges (non sperical) |
| 4295 |
-.157752259102E+00 .256865056813E-01 .447401437060E-01 .282550287931E-02 .256865056813E-01 |
| 4296 |
-.513111026050E-02 -.610189826978E-02 .234333105778E-03 .447401437060E-01 -.610189826978E-02 |
| 4297 |
.206642369840E+00 -.512388802954E-01 .282550287931E-02 .234333105778E-03 -.512388802954E-01 |
| 4298 |
.161404628631E-01 |
| 4299 |
uccopancies in atom |
| 4300 |
.199999999995E+01 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4301 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4302 |
.133333333287E+01 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4303 |
.000000000000E+00 |
| 4304 |
grid |
| 4305 |
.292861757568E-04 .302384891324E-04 .312217693632E-04 .322370234141E-04 .332852909940E-04 |
| 4306 |
.343676456204E-04 .354851957192E-04 .366390857593E-04 .378304974248E-04 .390606508255E-04 |
| 4307 |
.403308057460E-04 .416422629358E-04 .429963654417E-04 .443944999831E-04 .458380983718E-04 |
| 4308 |
.473286389788E-04 .488676482478E-04 .504567022590E-04 .520974283424E-04 .537915067449E-04 |
| 4309 |
.555406723508E-04 .573467164586E-04 .592114886153E-04 .611368985105E-04 .631249179321E-04 |
| 4310 |
.651775827859E-04 .672969951799E-04 .694853255777E-04 .717448150208E-04 .740777774238E-04 |
| 4311 |
.764866019442E-04 .789737554287E-04 .815417849398E-04 .841933203642E-04 .869310771058E-04 |
| 4312 |
.897578588667E-04 .926765605186E-04 .956901710669E-04 .988017767123E-04 .102014564011E-03 |
| 4313 |
.105331823137E-03 .108756951255E-03 .112293455994E-03 .115944959045E-03 .119715199866E-03 |
| 4314 |
.123608039513E-03 .127627464593E-03 .131777591350E-03 .136062669876E-03 .140487088466E-03 |
| 4315 |
.145055378110E-03 .149772217137E-03 .154642436003E-03 .159671022236E-03 .164863125548E-03 |
| 4316 |
.170224063108E-03 .175759324983E-03 .181474579766E-03 .187375680376E-03 .193468670057E-03 |
| 4317 |
.199759788562E-03 .206255478546E-03 .212962392164E-03 .219887397881E-03 .227037587508E-03 |
| 4318 |
.234420283464E-03 .242043046275E-03 .249913682317E-03 .258040251807E-03 .266431077064E-03 |
| 4319 |
.275094751026E-03 .284040146052E-03 .293276423008E-03 .302813040649E-03 .312659765305E-03 |
| 4320 |
.322826680882E-03 .333324199190E-03 .344163070606E-03 .355354395080E-03 .366909633507E-03 |
| 4321 |
.378840619461E-03 .391159571315E-03 .403879104750E-03 .417012245681E-03 .430572443592E-03 |
| 4322 |
.444573585311E-03 .459030009230E-03 .473956519990E-03 .489368403644E-03 .505281443305E-03 |
| 4323 |
.521711935319E-03 .538676705943E-03 .556193128586E-03 .574279141596E-03 .592953266629E-03 |
| 4324 |
.612234627622E-03 .632142970374E-03 .652698682767E-03 .673922815646E-03 .695837104379E-03 |
| 4325 |
.718463991113E-03 .741826647755E-03 .765948999709E-03 .790855750370E-03 .816572406429E-03 |
| 4326 |
.843125303987E-03 .870541635532E-03 .898849477784E-03 .928077820446E-03 .958256595896E-03 |
| 4327 |
.989416709837E-03 .102159007295E-02 .105480963356E-02 .108910941142E-02 .112452453248E-02 |
| 4328 |
.116109126493E-02 .119884705630E-02 .123783057181E-02 .127808173400E-02 .131964176357E-02 |
| 4329 |
.136255322161E-02 .140686005323E-02 .145260763247E-02 .149984280887E-02 .154861395536E-02 |
| 4330 |
.159897101787E-02 .165096556643E-02 .170465084799E-02 .176008184098E-02 .181731531158E-02 |
| 4331 |
.187640987187E-02 .193742603983E-02 .200042630136E-02 .206547517423E-02 .213263927416E-02 |
| 4332 |
.220198738308E-02 .227359051949E-02 .234752201127E-02 .242385757072E-02 .250267537214E-02 |
| 4333 |
.258405613183E-02 .266808319080E-02 .275484260011E-02 .284442320898E-02 .293691675577E-02 |
| 4334 |
.303241796195E-02 .313102462912E-02 .323283773910E-02 .333796155744E-02 .344650374009E-02 |
| 4335 |
.355857544374E-02 .367429143961E-02 .379377023099E-02 .391713417460E-02 .404450960591E-02 |
| 4336 |
.417602696847E-02 .431182094758E-02 .445203060811E-02 .459679953703E-02 .474627599036E-02 |
| 4337 |
.490061304506E-02 .505996875575E-02 .522450631661E-02 .539439422848E-02 .556980647142E-02 |
| 4338 |
.575092268290E-02 .593792834175E-02 .613101495811E-02 .633038026953E-02 .653622844353E-02 |
| 4339 |
.674877028662E-02 .696822346022E-02 .719481270355E-02 .742877006381E-02 .767033513377E-02 |
| 4340 |
.791975529717E-02 .817728598207E-02 .844319092237E-02 .871774242798E-02 .900122166363E-02 |
| 4341 |
.929391893683E-02 .959613399516E-02 .990817633326E-02 .102303655097E-01 .105630314745E-01 |
| 4342 |
.109065149065E-01 .112611675628E-01 .116273526388E-01 .120054451399E-01 .123958322659E-01 |
| 4343 |
.127989138074E-01 .132151025550E-01 .136448247225E-01 .140885203828E-01 .145466439191E-01 |
| 4344 |
.150196644899E-01 .155080665096E-01 .160123501446E-01 .165330318254E-01 .170706447755E-01 |
| 4345 |
.176257395575E-01 .181988846371E-01 .187906669648E-01 .194016925775E-01 .200325872188E-01 |
| 4346 |
.206839969800E-01 .213565889615E-01 .220510519564E-01 .227680971554E-01 .235084588754E-01 |
| 4347 |
.242728953116E-01 .250621893137E-01 .258771491876E-01 .267186095236E-01 .275874320505E-01 |
| 4348 |
.284845065186E-01 .294107516104E-01 .303671158820E-01 .313545787337E-01 .323741514141E-01 |
| 4349 |
.334268780544E-01 .345138367389E-01 .356361406081E-01 .367949389994E-01 .379914186235E-01 |
| 4350 |
.392268047802E-01 .405023626127E-01 .418193984038E-01 .431792609133E-01 .445833427591E-01 |
| 4351 |
.460330818438E-01 .475299628269E-01 .490755186453E-01 .506713320832E-01 .523190373930E-01 |
| 4352 |
.540203219690E-01 .557769280752E-01 .575906546298E-01 .594633590472E-01 .613969591405E-01 |
| 4353 |
.633934350851E-01 .654548314468E-01 .675832592756E-01 .697808982676E-01 .720499989972E-01 |
| 4354 |
.743928852218E-01 .768119562617E-01 .793096894569E-01 .818886427046E-01 .845514570782E-01 |
| 4355 |
.873008595323E-01 .901396656953E-01 .930707827527E-01 .960972124246E-01 .992220540394E-01 |
| 4356 |
.102448507708E+00 .105779877601E+00 .109219575332E+00 .112771123452E+00 .116438159057E+00 |
| 4357 |
.120224437512E+00 .124133836297E+00 .128170358977E+00 .132338139305E+00 .136641445452E+00 |
| 4358 |
.141084684380E+00 .145672406352E+00 .150409309599E+00 .155300245122E+00 .160350221666E+00 |
| 4359 |
.165564410850E+00 .170948152458E+00 .176506959912E+00 .182246525918E+00 .188172728291E+00 |
| 4360 |
.194291635982E+00 .200609515285E+00 .207132836263E+00 .213868279365E+00 .220822742274E+00 |
| 4361 |
.228003346967E+00 .235417447012E+00 .243072635094E+00 .250976750795E+00 .259137888621E+00 |
| 4362 |
.267564406289E+00 .276264933290E+00 .285248379723E+00 .294523945424E+00 .304101129382E+00 |
| 4363 |
.313989739470E+00 .324199902489E+00 .334742074538E+00 .345627051723E+00 .356865981211E+00 |
| 4364 |
.368470372648E+00 .380452109945E+00 .392823463449E+00 .405597102506E+00 .418786108438E+00 |
| 4365 |
.432403987941E+00 .446464686913E+00 .460982604738E+00 .475972609033E+00 .491450050872E+00 |
| 4366 |
.507430780509E+00 .523931163606E+00 .540968097998E+00 .558559030995E+00 .576721977248E+00 |
| 4367 |
.595475537203E+00 .614838916143E+00 .634831943861E+00 .655475094963E+00 .676789509841E+00 |
| 4368 |
.698797016317E+00 .721520152003E+00 .744982187373E+00 .769207149603E+00 .794219847171E+00 |
| 4369 |
.820045895265E+00 |
| 4370 |
aepotential |
| 4371 |
.344620864381E+05 .335729348910E+05 .326607094679E+05 .317298527617E+05 .307850610750E+05 |
| 4372 |
.298308294196E+05 .288714423118E+05 .279109409932E+05 .269531004174E+05 .260014122025E+05 |
| 4373 |
.250590723857E+05 .241289743073E+05 .232137061556E+05 .223155526546E+05 .214365006885E+05 |
| 4374 |
.205782481780E+05 .197422158561E+05 .189295613384E+05 .181411950859E+05 .173777977152E+05 |
| 4375 |
.166398382559E+05 .159275929117E+05 .152411639803E+05 .145804985929E+05 .139454070005E+05 |
| 4376 |
.133355801830E+05 .127506065798E+05 .121899878290E+05 .116531533851E+05 .111394739797E+05 |
| 4377 |
.106482738762E+05 .101788419327E+05 .973044147139E+04 .930231902072E+04 .889371196167E+04 |
| 4378 |
.850385516385E+04 .813198665588E+04 .777735243911E+04 .743921050565E+04 .711683412068E+04 |
| 4379 |
.680951449358E+04 .651656285928E+04 .623731207683E+04 .597111778273E+04 .571735918511E+04 |
| 4380 |
.547543952008E+04 .524478624895E+04 .502485103028E+04 .481510949625E+04 .461506088322E+04 |
| 4381 |
.442422753164E+04 .424215429199E+04 .406840786784E+04 .390257606950E+04 .374426708320E+04 |
| 4382 |
.359310864864E+04 .344874729194E+04 .331084749161E+04 .317909090091E+04 .305317553308E+04 |
| 4383 |
.293281500979E+04 .281773778683E+04 .270768642593E+04 .260241688250E+04 .250169782385E+04 |
| 4384 |
.240530996858E+04 .231304545700E+04 .222470724985E+04 .214010855063E+04 .205907226117E+04 |
| 4385 |
.198143045752E+04 .190702389788E+04 .183570154950E+04 .176732014469E+04 .170174376187E+04 |
| 4386 |
.163884341822E+04 .157849670118E+04 .152058740347E+04 .146500519043E+04 .141164527724E+04 |
| 4387 |
.136040813035E+04 .131119918080E+04 .126392855649E+04 .121851082761E+04 .117486476841E+04 |
| 4388 |
.113291313152E+04 .109258243223E+04 .105380275072E+04 .101650753965E+04 .980633446472E+03 |
| 4389 |
.946120143433E+03 .912910169256E+03 .880948776621E+03 .850183792788E+03 .820565482959E+03 |
| 4390 |
.792046425154E+03 .764581390092E+03 .738127227908E+03 .712642762779E+03 .688088691006E+03 |
| 4391 |
.664427485954E+03 .641623309210E+03 .619641924627E+03 .598450617897E+03 .578018121645E+03 |
| 4392 |
.558314542462E+03 .539311293781E+03 .520981031521E+03 .503297592970E+03 .486235939917E+03 |
| 4393 |
.469772103352E+03 .453883132589E+03 .438547046213E+03 .423742785978E+03 .409450172651E+03 |
| 4394 |
.395649864932E+03 .382323319715E+03 .369452755171E+03 .357021114941E+03 .345012034961E+03 |
| 4395 |
.333409811120E+03 .322199369640E+03 .311366237899E+03 .300896517183E+03 .290776857231E+03 |
| 4396 |
.280994431097E+03 .271536912121E+03 .262392451581E+03 .253549657589E+03 .244997574942E+03 |
| 4397 |
.236725666004E+03 .228723792657E+03 .220982198738E+03 .213491493677E+03 .206242636794E+03 |
| 4398 |
.199226922258E+03 .192435964878E+03 .185861686483E+03 .179496302942E+03 .173332311815E+03 |
| 4399 |
.167362480543E+03 .161579835190E+03 .155977649674E+03 .150549435529E+03 .145288932112E+03 |
| 4400 |
.140190097209E+03 .135247098073E+03 .130454302933E+03 .125806272739E+03 .121297753428E+03 |
| 4401 |
.116923668358E+03 .112679111224E+03 .108559339155E+03 .104559766209E+03 .100675957051E+03 |
| 4402 |
.969036209796E+02 .932386061771E+02 .896768941581E+02 .862145945364E+02 .828479399394E+02 |
| 4403 |
.795732811790E+02 .763870825897E+02 .732859175903E+02 .702664644175E+02 .673255020247E+02 |
| 4404 |
.644599061844E+02 .616666457159E+02 .589427788941E+02 .562854499948E+02 .536918860003E+02 |
| 4405 |
.511593934268E+02 .486853553017E+02 .462672282535E+02 .439025397420E+02 .415888854025E+02 |
| 4406 |
.393239265054E+02 .371053875305E+02 .349310538513E+02 .327987695257E+02 .307064351866E+02 |
| 4407 |
.286520060380E+02 .266334899472E+02 .246489456285E+02 .226964809271E+02 .207742511855E+02 |
| 4408 |
.188804577096E+02 .170133463090E+02 .151712059355E+02 .133523673943E+02 .115552021482E+02 |
| 4409 |
.977812119341E+01 .801957401914E+01 .627804764882E+01 .455206574938E+01 .284018782908E+01 |
| 4410 |
.114100849772E+01 -.546843190099E+00 -.222470432416E+01 -.389387865170E+01 -.555563702498E+01 |
| 4411 |
-.721121777413E+01 -.886182701424E+01 -.105086388850E+02 -.121527957221E+02 -.137954081656E+02 |
| 4412 |
-.154375552027E+02 -.170802841491E+02 -.187246105688E+02 -.203715181315E+02 -.220219584159E+02 |
| 4413 |
-.236768506503E+02 -.253370814013E+02 -.270035042054E+02 -.286769391470E+02 -.303581723845E+02 |
| 4414 |
-.320479556231E+02 -.337470055368E+02 -.354560031382E+02 -.371755930961E+02 -.389063829998E+02 |
| 4415 |
-.406489425672E+02 -.424038027938E+02 -.441714550387E+02 -.459523500399E+02 -.477468968516E+02 |
| 4416 |
-.495554616915E+02 -.513783666850E+02 -.532158884890E+02 -.550682567708E+02 -.569356525179E+02 |
| 4417 |
-.588182061426E+02 -.607159953416E+02 -.626290426590E+02 -.645573126945E+02 -.665007088812E+02 |
| 4418 |
-.684590697493E+02 -.704321645699E+02 -.724196882588E+02 -.744212553972E+02 -.764363932049E+02 |
| 4419 |
-.784645332739E+02 -.805050018497E+02 -.825570084189E+02 -.846196323419E+02 -.866918072559E+02 |
| 4420 |
-.887723029672E+02 -.908597045751E+02 -.929523886095E+02 -.950484960626E+02 -.971459023431E+02 |
| 4421 |
-.992421844218E+02 -.101334585782E+03 -.103419980279E+03 -.105494836659E+03 -.107555186343E+03 |
| 4422 |
-.109596598129E+03 -.111614164704E+03 -.113602507280E+03 -.115555806133E+03 -.117467866281E+03 |
| 4423 |
-.119332228743E+03 -.121142338730E+03 -.122891782384E+03 -.124574603359E+03 -.126185709187E+03 |
| 4424 |
-.127721375786E+03 -.129179849068E+03 -.130562037348E+03 -.131872249654E+03 -.133118881188E+03 |
| 4425 |
-.134314825072E+03 -.135477192987E+03 -.136625659703E+03 -.137778518637E+03 -.138945648412E+03 |
| 4426 |
-.140118549526E+03 -.141259817826E+03 -.142297364032E+03 -.143130166505E+03 -.143649392083E+03 |
| 4427 |
-.143770896700E+03 -.143466650444E+03 -.142779438341E+03 -.141810639779E+03 -.140684648871E+03 |
| 4428 |
-.139508468373E+03 -.138347629848E+03 -.137225671915E+03 -.136138333179E+03 -.135069529969E+03 |
| 4429 |
-.134002012204E+03 -.132922043139E+03 -.131820225779E+03 -.130690626727E+03 -.129529519065E+03 |
| 4430 |
-.128334338388E+03 -.127103016727E+03 -.125833658340E+03 -.124524453614E+03 -.123173726082E+03 |
| 4431 |
-.121780032930E+03 -.120342269386E+03 -.118859752079E+03 -.117332272953E+03 -.115760124514E+03 |
| 4432 |
-.114144101237E+03 -.112485482930E+03 -.110786005302E+03 -.109047821948E+03 -.107273460804E+03 |
| 4433 |
-.105465777240E+03 -.103627905226E+03 -.101763207541E+03 -.998752256539E+02 -.979676297084E+02 |
| 4434 |
-.960441689068E+02 -.941086224963E+02 -.921647514802E+02 -.902162518570E+02 -.882667076453E+02 |
| 4435 |
-.863195480576E+02 |
| 4436 |
core charge-density |
| 4437 |
.625549835994E-05 .666800504134E-05 .710770694600E-05 .757639628637E-05 .807598331802E-05 |
| 4438 |
.860850410778E-05 .917612881239E-05 .978117050118E-05 .104260945584E-04 .111135287033E-04 |
| 4439 |
.118462736682E-04 .126273145781E-04 .134598330771E-04 .143472202518E-04 .152930904017E-04 |
| 4440 |
.163012957151E-04 .173759419064E-04 .185214048808E-04 .197423484910E-04 .210437434593E-04 |
| 4441 |
.224308875404E-04 .239094270056E-04 .254853795358E-04 .271651586146E-04 .289555995192E-04 |
| 4442 |
.308639870146E-04 .328980848607E-04 .350661672522E-04 .373770523150E-04 .398401377963E-04 |
| 4443 |
.424654390887E-04 .452636297410E-04 .482460846186E-04 .514249258846E-04 .548130719857E-04 |
| 4444 |
.584242898380E-04 .622732504215E-04 .663755880027E-04 .707479632232E-04 .754081303033E-04 |
| 4445 |
.803750086285E-04 .856687590020E-04 .913108648668E-04 .973242188169E-04 .103733214742E-03 |
| 4446 |
.110563845969E-03 .117843809786E-03 .125602618763E-03 .133871719311E-03 .142684617931E-03 |
| 4447 |
.152077015675E-03 .162086951316E-03 .172754953815E-03 .184124204661E-03 .196240710731E-03 |
| 4448 |
.209153488342E-03 .222914759203E-03 .237580159043E-03 .253208959714E-03 .269864305635E-03 |
| 4449 |
.287613465490E-03 .306528100151E-03 .326684547867E-03 .348164127795E-03 .371053463070E-03 |
| 4450 |
.395444824619E-03 .421436497058E-03 .449133168056E-03 .478646342645E-03 .510094784058E-03 |
| 4451 |
.543604982759E-03 .579311655433E-03 .617358275824E-03 .657897639406E-03 .701092464009E-03 |
| 4452 |
.747116028632E-03 .796152852835E-03 .848399419223E-03 .904064941684E-03 .963372182234E-03 |
| 4453 |
.102655831945E-02 .109387587165E-02 .116559367828E-02 .124199794286E-02 .132339334157E-02 |
| 4454 |
.141010420110E-02 .150247575032E-02 .160087545001E-02 .170569440540E-02 .181734886664E-02 |
| 4455 |
.193628182230E-02 .206296469151E-02 .219789912070E-02 .234161889100E-02 .249469194297E-02 |
| 4456 |
.265772252544E-02 .283135347583E-02 .301626863953E-02 .321319543645E-02 .342290758323E-02 |
| 4457 |
.364622797998E-02 .388403177110E-02 .413724958987E-02 .440687099725E-02 .469394812583E-02 |
| 4458 |
.499959954031E-02 .532501432642E-02 .567145642088E-02 .604026919554E-02 .643288030937E-02 |
| 4459 |
.685080684263E-02 .729566072830E-02 .776915449617E-02 .827310734610E-02 .880945156718E-02 |
| 4460 |
.938023932048E-02 .998764980358E-02 .106339968159E-01 .113217367443E-01 .120534769893E-01 |
| 4461 |
.128319848529E-01 .136601969090E-01 .145412288792E-01 .154783860366E-01 .164751741595E-01 |
| 4462 |
.175353110613E-01 .186627387172E-01 .198616360155E-01 .211364321554E-01 .224918207178E-01 |
| 4463 |
.239327744331E-01 .254645606710E-01 .270927576767E-01 .288232715768E-01 .306623541799E-01 |
| 4464 |
.326166215923E-01 .346930736722E-01 .368991143409E-01 .392425727696E-01 .417317254593E-01 |
| 4465 |
.443753192252E-01 .471825950990E-01 .501633131551E-01 .533277782643E-01 .566868667757E-01 |
| 4466 |
.602520541187E-01 .640354433157E-01 .680497943852E-01 .723085546110E-01 .768258896433E-01 |
| 4467 |
.816167153881E-01 .866967306317E-01 .920824503355E-01 .977912395230E-01 .103841347667E+00 |
| 4468 |
.110251943473E+00 .117043149927E+00 .124236079476E+00 .131852869168E+00 .139916715573E+00 |
| 4469 |
.148451909274E+00 .157483868688E+00 .167039172970E+00 .177145593679E+00 .187832124907E+00 |
| 4470 |
.199129011493E+00 .211067774932E+00 .223681236533E+00 .237003537347E+00 .251070154350E+00 |
| 4471 |
.265917912286E+00 .281584990564E+00 .298110924537E+00 .315536600407E+00 .333904243004E+00 |
| 4472 |
.353257395572E+00 .373640890661E+00 .395100811173E+00 .417684440517E+00 .441440200801E+00 |
| 4473 |
.466417577909E+00 .492667032246E+00 .520239893902E+00 .549188240900E+00 .579564759170E+00 |
| 4474 |
.611422582830E+00 .644815113329E+00 .679795815970E+00 .716417992322E+00 .754734527020E+00 |
| 4475 |
.794797607463E+00 .836658414955E+00 .880366785870E+00 .925970841497E+00 .973516585329E+00 |
| 4476 |
.102304746666E+01 .107460390956E+01 .112822280638E+01 .118393697538E+01 .124177458210E+01 |
| 4477 |
.130175852453E+01 .136390578269E+01 .142822673320E+01 .149472443039E+01 .156339385578E+01 |
| 4478 |
.163422113833E+01 .170718274867E+01 .178224467121E+01 .185936155863E+01 .193847587451E+01 |
| 4479 |
.201951703024E+01 .210240052383E+01 .218702708883E+01 .227328186302E+01 .236103358719E+01 |
| 4480 |
.245013384581E+01 .254041636236E+01 .263169636304E+01 .272377002387E+01 .281641401710E+01 |
| 4481 |
.290938517367E+01 .300242027945E+01 .309523602333E+01 .318752911609E+01 .327897659887E+01 |
| 4482 |
.336923636007E+01 .345794787948E+01 .354473321719E+01 .362919826436E+01 .371093427085E+01 |
| 4483 |
.378951966301E+01 .386452216249E+01 .393550121345E+01 .400201072252E+01 .406360211102E+01 |
| 4484 |
.411982767477E+01 .417024424100E+01 .421441710619E+01 .425192423234E+01 .428236067202E+01 |
| 4485 |
.430534318581E+01 .432051500785E+01 .432755070794E+01 .432616109105E+01 .431609806767E+01 |
| 4486 |
.429715942168E+01 .426919339592E+01 .423210301053E+01 .418585002452E+01 .413045844838E+01 |
| 4487 |
.406601751409E+01 .399268400981E+01 .391068388909E+01 .382031307013E+01 .372193734800E+01 |
| 4488 |
.361599135397E+01 .350297650932E+01 .338345793746E+01 .325806031784E+01 .312746268671E+01 |
| 4489 |
.299239221437E+01 .285361701458E+01 .271193806915E+01 .256818037860E+01 .242318347665E+01 |
| 4490 |
.227779147070E+01 .213284279909E+01 .198915989658E+01 .184753899553E+01 .170874027411E+01 |
| 4491 |
.157347856698E+01 .144241483371E+01 .131614854842E+01 .119521112569E+01 .108006043765E+01 |
| 4492 |
.971076418067E+00 .868557721402E+00 .772719447114E+00 .683692073759E+00 .601521935591E+00 |
| 4493 |
.526173696431E+00 .457535189769E+00 .395424650783E+00 .339599878201E+00 .289768462616E+00 |
| 4494 |
.245598123128E+00 .206726459316E+00 .172769862786E+00 .143331658667E+00 .118009628694E+00 |
| 4495 |
.964029802611E-01 .781187114291E-01 .627772595572E-01 .500173176187E-01 .394997339384E-01 |
| 4496 |
.309104557903E-01 .239625219489E-01 .183971482330E-01 .139839814991E-01 .105206211709E-01 |
| 4497 |
.783152347062E-02 .576641243399E-02 .419832401429E-02 .302140579039E-02 .214858584976E-02 |
| 4498 |
.150921140926E-02 .104674188219E-02 .716563673537E-03 .483976205693E-03 .322381627428E-03 |
| 4499 |
.211695211051E-03 .136980222199E-03 .873004178539E-04 .547754089416E-04 .338188194079E-04 |
| 4500 |
.205362239785E-04 .122588804757E-04 .718986054261E-05 .414088618653E-05 .234058876995E-05 |
| 4501 |
.129766794578E-05 |
| 4502 |
kinetic energy-density |
| 4503 |
.132176025795E+00 .133935190758E+00 .135761668823E+00 .137658262485E+00 .139627986720E+00 |
| 4504 |
.141674035833E+00 .143799794426E+00 .146008844928E+00 .148304976284E+00 .150692193057E+00 |
| 4505 |
.153174724964E+00 .155757037169E+00 .158443841093E+00 .161240106033E+00 .164151071593E+00 |
| 4506 |
.167182260952E+00 .170339495149E+00 .173628908334E+00 .177056964154E+00 .180630473327E+00 |
| 4507 |
.184356612448E+00 .188242944155E+00 .192297438694E+00 .196528496986E+00 .200944975290E+00 |
| 4508 |
.205556211542E+00 .210372053444E+00 .215402888447E+00 .220659675688E+00 .226153980051E+00 |
| 4509 |
.231898008388E+00 .237904648105E+00 .244187508236E+00 .250760963072E+00 .257640198646E+00 |
| 4510 |
.264841262088E+00 .272381114163E+00 .280277685096E+00 .288549933816E+00 .297217911178E+00 |
| 4511 |
.306302826851E+00 .315827120668E+00 .325814538349E+00 .336290211906E+00 .347280745353E+00 |
| 4512 |
.358814305519E+00 .370920718749E+00 .383631573741E+00 .396980330632E+00 .411002437249E+00 |
| 4513 |
.425735452489E+00 .441219177486E+00 .457495795227E+00 .474610018769E+00 .492609248970E+00 |
| 4514 |
.511543742045E+00 .531466787872E+00 .552434899374E+00 .574508014020E+00 .597749707978E+00 |
| 4515 |
.622227423754E+00 .648012712331E+00 .675181490499E+00 .703814314438E+00 .733996670649E+00 |
| 4516 |
.765819285087E+00 .799378452009E+00 .834776383364E+00 .872121580296E+00 .911529228018E+00 |
| 4517 |
.953121615574E+00 .997028581984E+00 .104338799046E+01 .109234623230E+01 .114405876274E+01 |
| 4518 |
.119869066993E+01 .125641728002E+01 .131742479982E+01 .138191099985E+01 .145008593986E+01 |
| 4519 |
.152217273989E+01 .159840839916E+01 .167904466597E+01 .176434896181E+01 .185460536262E+01 |
| 4520 |
.195011564109E+01 .205120037326E+01 .215820011361E+01 .227147664259E+01 .239141429086E+01 |
| 4521 |
.251842134511E+01 .265293153969E+01 .279540564002E+01 .294633312225E+01 .310623395535E+01 |
| 4522 |
.327566049175E+01 .345519947206E+01 .364547415152E+01 .384714655437E+01 .406091986370E+01 |
| 4523 |
.428754095473E+01 .452780307932E+01 .478254871036E+01 .505267255494E+01 .533912474579E+01 |
| 4524 |
.564291422071E+01 .596511230019E+01 .630685647417E+01 .666935440928E+01 .705388818805E+01 |
| 4525 |
.746181879232E+01 .789459084458E+01 .835373761891E+01 .884088633706E+01 .935776376336E+01 |
| 4526 |
.990620211314E+01 .104881452909E+02 .111056554739E+02 .117609200576E+02 .124562589809E+02 |
| 4527 |
.131941324473E+02 .139771490622E+02 .148080744026E+02 .156898400404E+02 .166255530370E+02 |
| 4528 |
.176185059297E+02 .186721872297E+02 .197902924519E+02 .209767356968E+02 .222356618045E+02 |
| 4529 |
.235714591012E+02 .249887727582E+02 .264925187826E+02 .280878986594E+02 .297804146618E+02 |
| 4530 |
.315758858496E+02 .334804647683E+02 .355006548677E+02 .376433286489E+02 .399157465539E+02 |
| 4531 |
.423255766040E+02 .448809147943E+02 .475903062448E+02 .504627671092E+02 .535078072330E+02 |
| 4532 |
.567354535528E+02 .601562742178E+02 .637814034155E+02 .676225668666E+02 .716921079591E+02 |
| 4533 |
.760030144672E+02 .805689458084E+02 .854042607667E+02 .905240456056E+02 .959441424815E+02 |
| 4534 |
.101681178049E+03 .107752592143E+03 .114176666392E+03 .120972552609E+03 .128160300793E+03 |
| 4535 |
.135760886523E+03 .143796237537E+03 .152289259245E+03 .161263858899E+03 .170744968109E+03 |
| 4536 |
.180758563383E+03 .191331684306E+03 .202492448959E+03 .214270066138E+03 .226694843879E+03 |
| 4537 |
.239798193771E+03 .253612630490E+03 .268171765933E+03 .283510297290E+03 .299663988351E+03 |
| 4538 |
.316669643277E+03 .334565072038E+03 .353389046636E+03 .373181247220E+03 .393982197127E+03 |
| 4539 |
.415833185818E+03 .438776178681E+03 .462853712577E+03 .488108776000E+03 .514584672670E+03 |
| 4540 |
.542324867365E+03 .571372812760E+03 .601771756058E+03 .633564524166E+03 .666793286221E+03 |
| 4541 |
.701499292269E+03 .737722586982E+03 .775501697325E+03 .814873293226E+03 .855871820381E+03 |
| 4542 |
.898529104489E+03 .942873926389E+03 .988931567784E+03 .103672332747E+04 .108626600830E+04 |
| 4543 |
.113757137544E+04 .119064558683E+04 .124548859720E+04 .130209353751E+04 .136044607208E+04 |
| 4544 |
.142052373640E+04 .148229525921E+04 .154571987295E+04 .161074661763E+04 .167731364382E+04 |
| 4545 |
.174534752129E+04 .181476256062E+04 .188546015605E+04 .195732815867E+04 .203024028995E+04 |
| 4546 |
.210405560636E+04 .217861802691E+04 .225375593595E+04 .232928187445E+04 .240499233356E+04 |
| 4547 |
.248066766472E+04 .255607212096E+04 .263095404408E+04 .270504621268E+04 .277806636514E+04 |
| 4548 |
.284971791180E+04 .291969084901E+04 .298766288709E+04 .305330080234E+04 .311626202128E+04 |
| 4549 |
.317619644332E+04 .323274850470E+04 .328555948400E+04 .333427004551E+04 .337852301282E+04 |
| 4550 |
.341796636105E+04 .345225641087E+04 .348106120307E+04 .350406402702E+04 .352096707125E+04 |
| 4551 |
.353149515895E+04 .353539952622E+04 .353246159564E+04 .352249669327E+04 .350535765276E+04 |
| 4552 |
.348093824682E+04 .344917638314E+04 .341005700022E+04 .336361459689E+04 .330993533011E+04 |
| 4553 |
.324915861635E+04 .318147817463E+04 .310714245333E+04 .302645438806E+04 .293977044482E+04 |
| 4554 |
.284749891086E+04 .275009740545E+04 .264806959424E+04 .254196110373E+04 .243235464705E+04 |
| 4555 |
.231986438895E+04 .220512959614E+04 .208880763954E+04 .197156643697E+04 .185407644573E+04 |
| 4556 |
.173700236837E+04 .162099461974E+04 .150668097393E+04 .139465831045E+04 .128548489127E+04 |
| 4557 |
.117967334783E+04 .107768468195E+04 .979923607561E+03 .886735573996E+03 .798405745392E+03 |
| 4558 |
.715159972906E+03 .637167313519E+03 .564542994768E+03 .497350259215E+03 .435599806459E+03 |
| 4559 |
.379246858276E+03 .328187667685E+03 .282258420739E+03 .241239058244E+03 .204862611625E+03 |
| 4560 |
.172828208383E+03 .144814513432E+03 .120490951119E+03 .995258554820E+02 .815921605138E+02 |
| 4561 |
.663716392437E+02 .535583897932E+02 .428618420638E+02 .340093008571E+02 .267479559883E+02 |
| 4562 |
.208462991666E+02 .160949283081E+02 .123067613777E+02 .931671330706E+01 .698090988085E+01 |
| 4563 |
.517552365756E+01 .379532122669E+01 .275201013792E+01 .197246887711E+01 .139693522036E+01 |
| 4564 |
.977217978443E+00 .674985355080E+00 .460170689103E+00 .309524004753E+00 .205326232749E+00 |
| 4565 |
.134272726203E+00 .865241474580E-01 .549161358338E-01 .343144068647E-01 .210989666792E-01 |
| 4566 |
.127597318321E-01 .758574113557E-02 .443101963639E-02 .254169787533E-02 .143092283623E-02 |
| 4567 |
.790186700406E-03 |
| 4568 |
pspotential |
| 4569 |
-.153267498751E+03 -.153268334719E+03 -.153269144358E+03 -.153269928498E+03 -.153270687940E+03 |
| 4570 |
-.153271423465E+03 -.153272135824E+03 -.153272825746E+03 -.153273493938E+03 -.153274141086E+03 |
| 4571 |
-.153274767850E+03 -.153275374873E+03 -.153275962777E+03 -.153276532163E+03 -.153277083615E+03 |
| 4572 |
-.153277617698E+03 -.153278134957E+03 -.153278635922E+03 -.153279121108E+03 -.153279591009E+03 |
| 4573 |
-.153280046109E+03 -.153280486871E+03 -.153280913748E+03 -.153281327177E+03 -.153281727581E+03 |
| 4574 |
-.153282115370E+03 -.153282490940E+03 -.153282854677E+03 -.153283206952E+03 -.153283548126E+03 |
| 4575 |
-.153283878548E+03 -.153284198557E+03 -.153284508479E+03 -.153284808632E+03 -.153285099324E+03 |
| 4576 |
-.153285380850E+03 -.153285653501E+03 -.153285917553E+03 -.153286173278E+03 -.153286420936E+03 |
| 4577 |
-.153286660782E+03 -.153286893059E+03 -.153287118007E+03 -.153287335853E+03 -.153287546822E+03 |
| 4578 |
-.153287751128E+03 -.153287948980E+03 -.153288140580E+03 -.153288326123E+03 -.153288505800E+03 |
| 4579 |
-.153288679792E+03 -.153288848278E+03 -.153289011428E+03 -.153289169410E+03 -.153289322383E+03 |
| 4580 |
-.153289470504E+03 -.153289613923E+03 -.153289752785E+03 -.153289887232E+03 -.153290017399E+03 |
| 4581 |
-.153290143418E+03 -.153290265418E+03 -.153290383520E+03 -.153290497845E+03 -.153290608507E+03 |
| 4582 |
-.153290715618E+03 -.153290819284E+03 -.153290919611E+03 -.153291016697E+03 -.153291110640E+03 |
| 4583 |
-.153291201533E+03 -.153291289466E+03 -.153291374526E+03 -.153291456797E+03 -.153291536359E+03 |
| 4584 |
-.153291613289E+03 -.153291687662E+03 -.153291759550E+03 -.153291829021E+03 -.153291896142E+03 |
| 4585 |
-.153291960976E+03 -.153292023584E+03 -.153292084023E+03 -.153292142348E+03 -.153292198613E+03 |
| 4586 |
-.153292252867E+03 -.153292305158E+03 -.153292355532E+03 -.153292404029E+03 -.153292450691E+03 |
| 4587 |
-.153292495556E+03 -.153292538656E+03 -.153292580026E+03 -.153292619695E+03 -.153292657691E+03 |
| 4588 |
-.153292694037E+03 -.153292728756E+03 -.153292761868E+03 -.153292793388E+03 -.153292823331E+03 |
| 4589 |
-.153292851708E+03 -.153292878528E+03 -.153292903794E+03 -.153292927509E+03 -.153292949673E+03 |
| 4590 |
-.153292970281E+03 -.153292989325E+03 -.153293006793E+03 -.153293022672E+03 -.153293036943E+03 |
| 4591 |
-.153293049582E+03 -.153293060563E+03 -.153293069855E+03 -.153293077423E+03 -.153293083226E+03 |
| 4592 |
-.153293087219E+03 -.153293089351E+03 -.153293089567E+03 -.153293087804E+03 -.153293083994E+03 |
| 4593 |
-.153293078063E+03 -.153293069929E+03 -.153293059505E+03 -.153293046693E+03 -.153293031390E+03 |
| 4594 |
-.153293013483E+03 -.153292992849E+03 -.153292969357E+03 -.153292942866E+03 -.153292913222E+03 |
| 4595 |
-.153292880262E+03 -.153292843808E+03 -.153292803672E+03 -.153292759650E+03 -.153292711525E+03 |
| 4596 |
-.153292659062E+03 -.153292602011E+03 -.153292540105E+03 -.153292473056E+03 -.153292400559E+03 |
| 4597 |
-.153292322284E+03 -.153292237881E+03 -.153292146975E+03 -.153292049166E+03 -.153291944026E+03 |
| 4598 |
-.153291831096E+03 -.153291709890E+03 -.153291579885E+03 -.153291440524E+03 -.153291291215E+03 |
| 4599 |
-.153291131321E+03 -.153290960167E+03 -.153290777030E+03 -.153290581140E+03 -.153290371673E+03 |
| 4600 |
-.153290147752E+03 -.153289908442E+03 -.153289652744E+03 -.153289379593E+03 -.153289087853E+03 |
| 4601 |
-.153288776312E+03 -.153288443679E+03 -.153288088575E+03 -.153287709530E+03 -.153287304978E+03 |
| 4602 |
-.153286873247E+03 -.153286412556E+03 -.153285921003E+03 -.153285396563E+03 -.153284837074E+03 |
| 4603 |
-.153284240234E+03 -.153283603586E+03 -.153282924511E+03 -.153282200217E+03 -.153281427727E+03 |
| 4604 |
-.153280603866E+03 -.153279725251E+03 -.153278788273E+03 -.153277789085E+03 -.153276723588E+03 |
| 4605 |
-.153275587408E+03 -.153274375886E+03 -.153273084050E+03 -.153271706604E+03 -.153270237900E+03 |
| 4606 |
-.153268671918E+03 -.153267002237E+03 -.153265222017E+03 -.153263323962E+03 -.153261300295E+03 |
| 4607 |
-.153259142728E+03 -.153256842423E+03 -.153254389959E+03 -.153251775295E+03 -.153248987724E+03 |
| 4608 |
-.153246015835E+03 -.153242847465E+03 -.153239469645E+03 -.153235868555E+03 -.153232029459E+03 |
| 4609 |
-.153227936653E+03 -.153223573395E+03 -.153218921843E+03 -.153213962975E+03 -.153208676519E+03 |
| 4610 |
-.153203040866E+03 -.153197032984E+03 -.153190628326E+03 -.153183800728E+03 -.153176522303E+03 |
| 4611 |
-.153168763333E+03 -.153160492144E+03 -.153151674979E+03 -.153142275862E+03 -.153132256458E+03 |
| 4612 |
-.153121575910E+03 -.153110190681E+03 -.153098054380E+03 -.153085117571E+03 -.153071327580E+03 |
| 4613 |
-.153056628283E+03 -.153040959881E+03 -.153024258665E+03 -.153006456759E+03 -.152987481856E+03 |
| 4614 |
-.152967256927E+03 -.152945699921E+03 -.152922723439E+03 -.152898234395E+03 -.152872133647E+03 |
| 4615 |
-.152844315614E+03 -.152814667865E+03 -.152783070683E+03 -.152749396601E+03 -.152713509918E+03 |
| 4616 |
-.152675266173E+03 -.152634511599E+03 -.152591082542E+03 -.152544804840E+03 -.152495493173E+03 |
| 4617 |
-.152442950375E+03 -.152386966703E+03 -.152327319066E+03 -.152263770217E+03 -.152196067893E+03 |
| 4618 |
-.152123943913E+03 -.152047113229E+03 -.151965272928E+03 -.151878101180E+03 -.151785256138E+03 |
| 4619 |
-.151686374786E+03 -.151581071732E+03 -.151468937946E+03 -.151349539448E+03 -.151222415938E+03 |
| 4620 |
-.151087079381E+03 -.150943012535E+03 -.150789667437E+03 -.150626463844E+03 -.150452787634E+03 |
| 4621 |
-.150267989181E+03 -.150071381702E+03 -.149862239601E+03 -.149639796804E+03 -.149403245124E+03 |
| 4622 |
-.149151732663E+03 -.148884362277E+03 -.148600190139E+03 -.148298224436E+03 -.147977424245E+03 |
| 4623 |
-.147636698633E+03 -.147274906062E+03 -.146890854152E+03 -.146483299908E+03 -.146050950508E+03 |
| 4624 |
-.145592464773E+03 -.145106455457E+03 -.144591492526E+03 -.144046107597E+03 -.143468799752E+03 |
| 4625 |
-.142858042941E+03 -.142212295229E+03 -.141530010130E+03 -.140809650298E+03 -.140049703820E+03 |
| 4626 |
-.139248703340E+03 -.138405248186E+03 -.137518029605E+03 -.136585859073E+03 -.135607699519E+03 |
| 4627 |
-.134582699073E+03 -.133510226679E+03 -.132389908643E+03 -.131221664747E+03 -.130005742202E+03 |
| 4628 |
-.128742745182E+03 -.127433657208E+03 -.126079853056E+03 -.124683096318E+03 -.123245518152E+03 |
| 4629 |
-.121769572251E+03 -.120257960715E+03 -.118713525584E+03 -.117139101555E+03 -.115537327466E+03 |
| 4630 |
-.113910418052E+03 -.112259903701E+03 -.110586354425E+03 -.108889113652E+03 -.107166074813E+03 |
| 4631 |
-.105413536199E+03 -.103626169033E+03 -.101788508452E+03 -.999430277917E+02 -.980420648473E+02 |
| 4632 |
-.960785627187E+02 -.940556466143E+02 -.921485909176E+02 -.902256659693E+02 -.882744476111E+02 |
| 4633 |
-.863187908432E+02 |
| 4634 |
core charge-density (pseudized) |
| 4635 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4636 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4637 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4638 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4639 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4640 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4641 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4642 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4643 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4644 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4645 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4646 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4647 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4648 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4649 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4650 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4651 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4652 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4653 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4654 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4655 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4656 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4657 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4658 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4659 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4660 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4661 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4662 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4663 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4664 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4665 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4666 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4667 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4668 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4669 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4670 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4671 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4672 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4673 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4674 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4675 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4676 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4677 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4678 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4679 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4680 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4681 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4682 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4683 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4684 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4685 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4686 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4687 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4688 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4689 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4690 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4691 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4692 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4693 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4694 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4695 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4696 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4697 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4698 |
.000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 .000000000000E+00 |
| 4699 |
.000000000000E+00 |
| 4700 |
pseudo wavefunction |
| 4701 |
.165601274856E-03 .170986215157E-03 .176546260279E-03 .182287104195E-03 .188214626029E-03 |
| 4702 |
.194334896081E-03 .200654182042E-03 .207178955413E-03 .213915898130E-03 .220871909412E-03 |
| 4703 |
.228054112820E-03 .235469863558E-03 .243126756002E-03 .251032631476E-03 .259195586288E-03 |
| 4704 |
.267623980014E-03 .276326444066E-03 .285311890524E-03 .294589521270E-03 .304168837407E-03 |
| 4705 |
.314059648988E-03 .324272085066E-03 .334816604067E-03 .345704004495E-03 .356945435997E-03 |
| 4706 |
.368552410777E-03 .380536815389E-03 .392910922904E-03 .405687405487E-03 .418879347365E-03 |
| 4707 |
.432500258235E-03 .446564087093E-03 .461085236521E-03 .476078577438E-03 .491559464327E-03 |
| 4708 |
.507543750959E-03 .524047806630E-03 .541088532924E-03 .558683381021E-03 .576850369569E-03 |
| 4709 |
.595608103136E-03 .614975791265E-03 .634973268142E-03 .655621012910E-03 .676940170642E-03 |
| 4710 |
.698952573993E-03 .721680765562E-03 .745148020973E-03 .769378372712E-03 .794396634742E-03 |
| 4711 |
.820228427910E-03 .846900206184E-03 .874439283748E-03 .902873862971E-03 .932233063289E-03 |
| 4712 |
.962546951024E-03 .993846570176E-03 .102616397421E-02 .105953225889E-02 .109398559615E-02 |
| 4713 |
.112955926913E-02 .116628970826E-02 .120421452859E-02 .124337256831E-02 .128380392853E-02 |
| 4714 |
.132555001431E-02 .136865357713E-02 .141315875859E-02 .145911113565E-02 .150655776733E-02 |
| 4715 |
.155554724285E-02 .160612973141E-02 .165835703357E-02 .171228263430E-02 .176796175772E-02 |
| 4716 |
.182545142368E-02 .188481050614E-02 .194609979345E-02 .200938205063E-02 .207472208357E-02 |
| 4717 |
.214218680549E-02 .221184530537E-02 .228376891874E-02 .235803130072E-02 .243470850144E-02 |
| 4718 |
.251387904391E-02 .259562400442E-02 .268002709556E-02 .276717475196E-02 .285715621874E-02 |
| 4719 |
.295006364293E-02 .304599216783E-02 .314504003038E-02 .324730866178E-02 .335290279132E-02 |
| 4720 |
.346193055363E-02 .357450359938E-02 .369073720957E-02 .381075041359E-02 .393466611106E-02 |
| 4721 |
.406261119765E-02 .419471669497E-02 .433111788476E-02 .447195444729E-02 .461737060442E-02 |
| 4722 |
.476751526719E-02 .492254218825E-02 .508261011925E-02 .524788297332E-02 .541852999284E-02 |
| 4723 |
.559472592264E-02 .577665118885E-02 .596449208355E-02 .615844095538E-02 .635869640641E-02 |
| 4724 |
.656546349531E-02 .677895394718E-02 .699938637020E-02 .722698647920E-02 .746198732663E-02 |
| 4725 |
.770462954092E-02 .795516157261E-02 .821383994844E-02 .848092953369E-02 .875670380303E-02 |
| 4726 |
.904144512013E-02 .933544502630E-02 .963900453860E-02 .995243445741E-02 .102760556841E-01 |
| 4727 |
.106101995490E-01 .109552081499E-01 .113114347013E-01 .116792438955E-01 .120590122749E-01 |
| 4728 |
.124511286162E-01 .128559943277E-01 .132740238587E-01 .137056451223E-01 .141512999320E-01 |
| 4729 |
.146114444525E-01 .150865496644E-01 .155771018444E-01 .160836030610E-01 .166065716853E-01 |
| 4730 |
.171465429196E-01 .177040693415E-01 .182797214664E-01 .188740883277E-01 .194877780754E-01 |
| 4731 |
.201214185942E-01 .207756581406E-01 .214511660017E-01 .221486331730E-01 .228687730598E-01 |
| 4732 |
.236123221990E-01 .243800410052E-01 .251727145395E-01 .259911533031E-01 .268361940553E-01 |
| 4733 |
.277087006579E-01 .286095649458E-01 .295397076241E-01 .305000791949E-01 .314916609108E-01 |
| 4734 |
.325154657596E-01 .335725394789E-01 .346639616015E-01 .357908465336E-01 .369543446654E-01 |
| 4735 |
.381556435158E-01 .393959689112E-01 .406765862011E-01 .419988015081E-01 .433639630173E-01 |
| 4736 |
.447734623020E-01 .462287356896E-01 .477312656669E-01 .492825823258E-01 .508842648510E-01 |
| 4737 |
.525379430496E-01 .542452989239E-01 .560080682881E-01 .578280424287E-01 .597070698116E-01 |
| 4738 |
.616470578325E-01 .636499746161E-01 .657178508593E-01 .678527817232E-01 .700569287714E-01 |
| 4739 |
.723325219554E-01 .746818616470E-01 .771073207187E-01 .796113466687E-01 .821964637939E-01 |
| 4740 |
.848652754061E-01 .876204660936E-01 .904648040245E-01 .934011432916E-01 .964324262953E-01 |
| 4741 |
.995616861634E-01 .102792049205E+00 .106126737391E+00 .109569070868E+00 .113122470484E+00 |
| 4742 |
.116790460339E+00 .120576670337E+00 .124484838752E+00 .128518814779E+00 .132682561076E+00 |
| 4743 |
.136980156286E+00 .141415797513E+00 .145993802769E+00 .150718613337E+00 .155594796077E+00 |
| 4744 |
.160627045623E+00 .165820186468E+00 .171179174922E+00 .176709100891E+00 .182415189482E+00 |
| 4745 |
.188302802382E+00 .194377438986E+00 .200644737239E+00 .207110474140E+00 .213780565882E+00 |
| 4746 |
.220661067553E+00 .227758172370E+00 .235078210363E+00 .242627646458E+00 .250413077873E+00 |
| 4747 |
.258441230761E+00 .266718955998E+00 .275253224027E+00 .284051118653E+00 .293119829670E+00 |
| 4748 |
.302466644194E+00 .312098936569E+00 .322024156685E+00 .332249816565E+00 .342783475014E+00 |
| 4749 |
.353632720169E+00 .364805149715E+00 .376308348564E+00 .388149863728E+00 .400337176150E+00 |
| 4750 |
.412877669191E+00 .425778593474E+00 .439047027769E+00 .452689835565E+00 .466713616955E+00 |
| 4751 |
.481124655463E+00 .495928859375E+00 .511131697159E+00 .526738126515E+00 .542752516577E+00 |
| 4752 |
.559178562785E+00 .576019193926E+00 .593276470840E+00 .610951476266E+00 .629044195346E+00 |
| 4753 |
.647553386288E+00 .666476440712E+00 .685809233285E+00 .705545960242E+00 .725678966536E+00 |
| 4754 |
.746198561387E+00 .767092822191E+00 .788347386848E+00 .809945234816E+00 .831866457373E+00 |
| 4755 |
.854088017907E+00 .876583503344E+00 .899322868247E+00 .922272173564E+00 .945393322553E+00 |
| 4756 |
.968643796991E+00 .991976397530E+00 .101533899278E+01 .103867428264E+01 .106191958231E+01 |
| 4757 |
.108500663448E+01 .110786145843E+01 .113040424569E+01 .115254931351E+01 .117420512822E+01 |
| 4758 |
.119527441206E+01 .121565434786E+01 .123523689697E+01 .125390924631E+01 .127155440041E+01 |
| 4759 |
.128805193389E+01 .130327891850E+01 .131711103614E+01 .132942388590E+01 .134009448735E+01 |
| 4760 |
.134900297496E+01 .135603446881E+01 .136108109375E+01 .136404410364E+01 .136483604759E+01 |
| 4761 |
.136338289235E+01 .135962598792E+01 .135352373274E+01 .134505276160E+01 .133420844359E+01 |
| 4762 |
.132100444141E+01 .130547105033E+01 .128765200718E+01 .126759944388E+01 .124536666092E+01 |
| 4763 |
.122099842355E+01 .119451854586E+01 .116591463800E+01 .113513192355E+01 .110229857916E+01 |
| 4764 |
.106760690066E+01 .103126913660E+01 .993503299915E+00 .954531323645E+00 .914577215088E+00 |
| 4765 |
.873865221786E+00 |
| 4766 |
ae wavefunction |
| 4767 |
-.779383096528E-03 -.804670312887E-03 -.830777581751E-03 -.857731471485E-03 -.885559409570E-03 |
| 4768 |
-.914289710274E-03 -.943951603198E-03 -.974575262735E-03 -.100619183847E-02 -.103883348655E-02 |
| 4769 |
-.107253340205E-02 -.110732585237E-02 -.114324621168E-02 -.118033099650E-02 -.121861790238E-02 |
| 4770 |
-.125814584174E-02 -.129895498293E-02 -.134108679051E-02 -.138458406684E-02 -.142949099492E-02 |
| 4771 |
-.147585318269E-02 -.152371770861E-02 -.157313316876E-02 -.162414972543E-02 -.167681915716E-02 |
| 4772 |
-.173119491046E-02 -.178733215307E-02 -.184528782898E-02 -.190512071508E-02 -.196689147963E-02 |
| 4773 |
-.203066274263E-02 -.209649913792E-02 -.216446737738E-02 -.223463631706E-02 -.230707702532E-02 |
| 4774 |
-.238186285320E-02 -.245906950689E-02 -.253877512250E-02 -.262106034307E-02 -.270600839809E-02 |
| 4775 |
-.279370518532E-02 -.288423935523E-02 -.297770239805E-02 -.307418873338E-02 -.317379580270E-02 |
| 4776 |
-.327662416455E-02 -.338277759273E-02 -.349236317747E-02 -.360549142956E-02 -.372227638785E-02 |
| 4777 |
-.384283572975E-02 -.396729088528E-02 -.409576715439E-02 -.422839382787E-02 -.436530431191E-02 |
| 4778 |
-.450663625628E-02 -.465253168635E-02 -.480313713910E-02 -.495860380302E-02 -.511908766224E-02 |
| 4779 |
-.528474964477E-02 -.545575577518E-02 -.563227733166E-02 -.581449100761E-02 -.600257907796E-02 |
| 4780 |
-.619672957020E-02 -.639713644035E-02 -.660399975388E-02 -.681752587179E-02 -.703792764195E-02 |
| 4781 |
-.726542459571E-02 -.750024315008E-02 -.774261681542E-02 -.799278640894E-02 -.825100027389E-02 |
| 4782 |
-.851751450485E-02 -.879259317897E-02 -.907650859340E-02 -.936954150911E-02 -.967198140099E-02 |
| 4783 |
-.998412671452E-02 -.103062851291E-01 -.106387738280E-01 -.109819197754E-01 -.113360599999E-01 |
| 4784 |
-.117015418854E-01 -.120787234691E-01 -.124679737464E-01 -.128696729834E-01 -.132842130364E-01 |
| 4785 |
-.137119976791E-01 -.141534429365E-01 -.146089774276E-01 -.150790427142E-01 -.155640936577E-01 |
| 4786 |
-.160645987838E-01 -.165810406541E-01 -.171139162452E-01 -.176637373357E-01 -.182310308994E-01 |
| 4787 |
-.188163395071E-01 -.194202217343E-01 -.200432525764E-01 -.206860238705E-01 -.213491447237E-01 |
| 4788 |
-.220332419481E-01 -.227389605007E-01 -.234669639306E-01 -.242179348300E-01 -.249925752914E-01 |
| 4789 |
-.257916073683E-01 -.266157735405E-01 -.274658371825E-01 -.283425830349E-01 -.292468176777E-01 |
| 4790 |
-.301793700053E-01 -.311410917014E-01 -.321328577144E-01 -.331555667305E-01 -.342101416451E-01 |
| 4791 |
-.352975300301E-01 -.364187045964E-01 -.375746636502E-01 -.387664315412E-01 -.399950591018E-01 |
| 4792 |
-.412616240742E-01 -.425672315256E-01 -.439130142467E-01 -.453001331341E-01 -.467297775521E-01 |
| 4793 |
-.482031656720E-01 -.497215447865E-01 -.512861915962E-01 -.528984124638E-01 -.545595436345E-01 |
| 4794 |
-.562709514173E-01 -.580340323242E-01 -.598502131628E-01 -.617209510776E-01 -.636477335360E-01 |
| 4795 |
-.656320782528E-01 -.676755330486E-01 -.697796756363E-01 -.719461133288E-01 -.741764826622E-01 |
| 4796 |
-.764724489270E-01 -.788357056004E-01 -.812679736711E-01 -.837710008495E-01 -.863465606530E-01 |
| 4797 |
-.889964513581E-01 -.917224948098E-01 -.945265350766E-01 -.974104369411E-01 -.100376084214E+00 |
| 4798 |
-.103425377862E+00 -.106560233929E+00 -.109782581249E+00 -.113094358924E+00 -.116497513566E+00 |
| 4799 |
-.119993996267E+00 -.123585759308E+00 -.127274752560E+00 -.131062919588E+00 -.134952193412E+00 |
| 4800 |
-.138944491932E+00 -.143041712971E+00 -.147245728938E+00 -.151558381071E+00 -.155981473248E+00 |
| 4801 |
-.160516765342E+00 -.165165966088E+00 -.169930725446E+00 -.174812626431E+00 -.179813176378E+00 |
| 4802 |
-.184933797634E+00 -.190175817616E+00 -.195540458251E+00 -.201028824724E+00 -.206641893546E+00 |
| 4803 |
-.212380499881E+00 -.218245324131E+00 -.224236877725E+00 -.230355488105E+00 -.236601282866E+00 |
| 4804 |
-.242974173035E+00 -.249473835456E+00 -.256099694256E+00 -.262850901371E+00 -.269726316115E+00 |
| 4805 |
-.276724483765E+00 -.283843613151E+00 -.291081553233E+00 -.298435768663E+00 -.305903314322E+00 |
| 4806 |
-.313480808822E+00 -.321164407001E+00 -.328949771388E+00 -.336832042685E+00 -.344805809276E+00 |
| 4807 |
-.352865075782E+00 -.361003230735E+00 -.369213013385E+00 -.377486479727E+00 -.385814967803E+00 |
| 4808 |
-.394189062379E+00 -.402598559074E+00 -.411032428077E+00 -.419478777565E+00 -.427924816961E+00 |
| 4809 |
-.436356820221E+00 -.444760089293E+00 -.453118917987E+00 -.461416556449E+00 -.469635176497E+00 |
| 4810 |
-.477755838092E+00 -.485758457214E+00 -.493621775488E+00 -.501323331879E+00 -.508839436836E+00 |
| 4811 |
-.516145149286E+00 -.523214256890E+00 -.530019260023E+00 -.536531359954E+00 -.542720451743E+00 |
| 4812 |
-.548555122378E+00 -.554002654726E+00 -.559029037887E+00 -.563598984561E+00 -.567675956067E+00 |
| 4813 |
-.571222195686E+00 -.574198770982E+00 -.576565625816E+00 -.578281642748E+00 -.579304716540E+00 |
| 4814 |
-.579591839480E+00 -.579099199228E+00 -.577782289902E+00 -.575596037067E+00 -.572494937302E+00 |
| 4815 |
-.568433212954E+00 -.563364982657E+00 -.557244448127E+00 -.550026097668E+00 -.541664926755E+00 |
| 4816 |
-.532116675918E+00 -.521338086057E+00 -.509287171175E+00 -.495923508326E+00 -.481208544420E+00 |
| 4817 |
-.465105919304E+00 -.447581804307E+00 -.428605255216E+00 -.408148578344E+00 -.386187708121E+00 |
| 4818 |
-.362702594311E+00 -.337677596716E+00 -.311101884914E+00 -.282969840345E+00 -.253281457808E+00 |
| 4819 |
-.222042743227E+00 -.189266104353E+00 -.154970730897E+00 -.119182960394E+00 -.819366258111E-01 |
| 4820 |
-.432733805088E-01 -.324299545533E-02 .380963775271E-01 .806779844544E-01 .124426300356E+00 |
| 4821 |
.169256927002E+00 .215076575501E+00 .261783156083E+00 .309265998475E+00 .357406219523E+00 |
| 4822 |
.406077232836E+00 .455145352347E+00 .504470381268E+00 .553906024273E+00 .603299959640E+00 |
| 4823 |
.652493503846E+00 .701320993687E+00 .749609226077E+00 .797177403836E+00 .843837924822E+00 |
| 4824 |
.889398035072E+00 .933662031769E+00 .976433575826E+00 .101751780301E+01 .105672315067E+01 |
| 4825 |
.109386297533E+01 .112875707838E+01 .116123322551E+01 .119112869576E+01 .121829185458E+01 |
| 4826 |
.124258372123E+01 .126387948974E+01 .128206996159E+01 .129706285239E+01 .130878394122E+01 |
| 4827 |
.131717803816E+01 .132220975218E+01 .132386404652E+01 .132214657395E+01 .131708378801E+01 |
| 4828 |
.130872283014E+01 .129713119621E+01 .128239618878E+01 .126462416508E+01 .124393959283E+01 |
| 4829 |
.122048392909E+01 .119441433896E+01 .116590227308E+01 .113513192355E+01 .110229857916E+01 |
| 4830 |
.106760690066E+01 .103126913660E+01 .993503299915E+00 .954531323645E+00 .914577215088E+00 |
| 4831 |
.873865221786E+00 |
| 4832 |
pseudo wavefunction |
| 4833 |
-.412220112469E-04 -.425624482010E-04 -.439464728195E-04 -.453755024641E-04 -.468510005858E-04 |
| 4834 |
-.483744782236E-04 -.499474955513E-04 -.515716634757E-04 -.532486452866E-04 -.549801583594E-04 |
| 4835 |
-.567679759144E-04 -.586139288326E-04 -.605199075306E-04 -.624878638966E-04 -.645198132893E-04 |
| 4836 |
-.666178366018E-04 -.687840823927E-04 -.710207690860E-04 -.733301872437E-04 -.757147019107E-04 |
| 4837 |
-.781767550374E-04 -.807188679802E-04 -.833436440837E-04 -.860537713465E-04 -.888520251743E-04 |
| 4838 |
-.917412712218E-04 -.947244683276E-04 -.978046715442E-04 -.100985035267E-03 -.104268816463E-03 |
| 4839 |
-.107659378009E-03 -.111160192133E-03 -.114774843972E-03 -.118507035241E-03 -.122360588027E-03 |
| 4840 |
-.126339448699E-03 -.130447691954E-03 -.134689524986E-03 -.139069291798E-03 -.143591477648E-03 |
| 4841 |
-.148260713640E-03 -.153081781474E-03 -.158059618336E-03 -.163199321955E-03 -.168506155828E-03 |
| 4842 |
-.173985554604E-03 -.179643129654E-03 -.185484674815E-03 -.191516172325E-03 -.197743798948E-03 |
| 4843 |
-.204173932299E-03 -.210813157375E-03 -.217668273302E-03 -.224746300292E-03 -.232054486837E-03 |
| 4844 |
-.239600317127E-03 -.247391518721E-03 -.255436070452E-03 -.263742210605E-03 -.272318445350E-03 |
| 4845 |
-.281173557452E-03 -.290316615266E-03 -.299756982024E-03 -.309504325423E-03 -.319568627522E-03 |
| 4846 |
-.329960194969E-03 -.340689669551E-03 -.351768039092E-03 -.363206648708E-03 -.375017212419E-03 |
| 4847 |
-.387211825149E-03 -.399802975108E-03 -.412803556582E-03 -.426226883132E-03 -.440086701234E-03 |
| 4848 |
-.454397204349E-03 -.469173047458E-03 -.484429362069E-03 -.500181771710E-03 -.516446407924E-03 |
| 4849 |
-.533239926792E-03 -.550579525983E-03 -.568482962361E-03 -.586968570171E-03 -.606055279807E-03 |
| 4850 |
-.625762637196E-03 -.646110823808E-03 -.667120677320E-03 -.688813712947E-03 -.711212145472E-03 |
| 4851 |
-.734338911988E-03 -.758217695378E-03 -.782872948560E-03 -.808329919522E-03 -.834614677163E-03 |
| 4852 |
-.861754137983E-03 -.889776093630E-03 -.918709239353E-03 -.948583203367E-03 -.979428577181E-03 |
| 4853 |
-.101127694691E-02 -.104416092559E-02 -.107811418657E-02 -.111317149796E-02 -.114936875821E-02 |
| 4854 |
-.118674303286E-02 -.122533259242E-02 -.126517695159E-02 -.130631690962E-02 -.134879459210E-02 |
| 4855 |
-.139265349403E-02 -.143793852429E-02 -.148469605160E-02 -.153297395193E-02 -.158282165747E-02 |
| 4856 |
-.163429020713E-02 -.168743229878E-02 -.174230234307E-02 -.179895651908E-02 -.185745283172E-02 |
| 4857 |
-.191785117100E-02 -.198021337325E-02 -.204460328423E-02 -.211108682442E-02 -.217973205627E-02 |
| 4858 |
-.225060925375E-02 -.232379097404E-02 -.239935213163E-02 -.247737007471E-02 -.255792466414E-02 |
| 4859 |
-.264109835484E-02 -.272697627989E-02 -.281564633733E-02 -.290719927965E-02 -.300172880635E-02 |
| 4860 |
-.309933165926E-02 -.320010772105E-02 -.330416011687E-02 -.341159531922E-02 -.352252325622E-02 |
| 4861 |
-.363705742327E-02 -.375531499834E-02 -.387741696092E-02 -.400348821471E-02 -.413365771428E-02 |
| 4862 |
-.426805859572E-02 -.440682831139E-02 -.455010876899E-02 -.469804647501E-02 -.485079268268E-02 |
| 4863 |
-.500850354455E-02 -.517134026996E-02 -.533946928727E-02 -.551306241133E-02 -.569229701603E-02 |
| 4864 |
-.587735621227E-02 -.606842903139E-02 -.626571061432E-02 -.646940240646E-02 -.667971235858E-02 |
| 4865 |
-.689685513379E-02 -.712105232080E-02 -.735253265363E-02 -.759153223789E-02 -.783829478379E-02 |
| 4866 |
-.809307184612E-02 -.835612307119E-02 -.862771645107E-02 -.890812858518E-02 -.919764494940E-02 |
| 4867 |
-.949656017280E-02 -.980517832225E-02 -.101238131949E-01 -.104527886188E-01 -.107924387616E-01 |
| 4868 |
-.111431084476E-01 -.115051534833E-01 -.118789409908E-01 -.122648497510E-01 -.126632705538E-01 |
| 4869 |
-.130746065579E-01 -.134992736592E-01 -.139377008669E-01 -.143903306890E-01 -.148576195256E-01 |
| 4870 |
-.153400380707E-01 -.158380717219E-01 -.163522209980E-01 -.168830019638E-01 -.174309466622E-01 |
| 4871 |
-.179966035535E-01 -.185805379595E-01 -.191833325146E-01 -.198055876210E-01 -.204479219077E-01 |
| 4872 |
-.211109726928E-01 -.217953964482E-01 -.225018692639E-01 -.232310873126E-01 -.239837673115E-01 |
| 4873 |
-.247606469798E-01 -.255624854903E-01 -.263900639122E-01 -.272441856433E-01 -.281256768272E-01 |
| 4874 |
-.290353867542E-01 -.299741882405E-01 -.309429779831E-01 -.319426768846E-01 -.329742303434E-01 |
| 4875 |
-.340386085044E-01 -.351368064621E-01 -.362698444117E-01 -.374387677378E-01 -.386446470349E-01 |
| 4876 |
-.398885780472E-01 -.411716815209E-01 -.424951029540E-01 -.438600122329E-01 -.452676031415E-01 |
| 4877 |
-.467190927260E-01 -.482157205004E-01 -.497587474713E-01 -.513494549631E-01 -.529891432198E-01 |
| 4878 |
-.546791297580E-01 -.564207474440E-01 -.582153422637E-01 -.600642707520E-01 -.619688970453E-01 |
| 4879 |
-.639305895159E-01 -.659507169443E-01 -.680306441808E-01 -.701717272434E-01 -.723753077929E-01 |
| 4880 |
-.746427069221E-01 -.769752181897E-01 -.793740998211E-01 -.818405659956E-01 -.843757771268E-01 |
| 4881 |
-.869808290391E-01 -.896567409320E-01 -.924044420163E-01 -.952247566937E-01 -.981183881437E-01 |
| 4882 |
-.101085900167E+00 -.104127697127E+00 -.107244001807E+00 -.110434831009E+00 -.113699968673E+00 |
| 4883 |
-.117038936314E+00 -.120450960536E+00 -.123934937372E+00 -.127489393177E+00 -.131112441808E+00 |
| 4884 |
-.134801737757E+00 -.138554424943E+00 -.142367080808E+00 -.146235655364E+00 -.150155404816E+00 |
| 4885 |
-.154120819373E+00 -.158125544834E+00 -.162162297548E+00 -.166222772304E+00 -.170297542723E+00 |
| 4886 |
-.174375953731E+00 -.178446005655E+00 -.182494229536E+00 -.186505553254E+00 -.190463158067E+00 |
| 4887 |
-.194348325228E+00 -.198140272376E+00 -.201815979445E+00 -.205350003927E+00 -.208714285396E+00 |
| 4888 |
-.211877939310E+00 -.214807040213E+00 -.217464394627E+00 -.219809304039E+00 -.221797318607E+00 |
| 4889 |
-.223379982348E+00 -.224504570832E+00 -.225113822576E+00 -.225145665596E+00 -.224532940792E+00 |
| 4890 |
-.223203124070E+00 -.221078049349E+00 -.218073634810E+00 -.214099614936E+00 -.209059281106E+00 |
| 4891 |
-.202849233644E+00 -.195359148430E+00 -.186471561366E+00 -.176061674254E+00 -.163997186071E+00 |
| 4892 |
-.150138154291E+00 -.134336891962E+00 -.116437908003E+00 -.962779008330E-01 -.736858195368E-01 |
| 4893 |
-.484830127511E-01 -.204834941246E-01 .105056345896E-01 .446835448931E-01 .822547466436E-01 |
| 4894 |
.123427745979E+00 .168413145922E+00 .217420989654E+00 .270657084570E+00 .328317970202E+00 |
| 4895 |
.390584105101E+00 .457610748007E+00 .529515901005E+00 .606351591923E+00 .688292477140E+00 |
| 4896 |
.775483611861E+00 .868104097163E+00 .966343881368E+00 .107040649767E+01 .118051230869E+01 |
| 4897 |
.129690233012E+01 |
| 4898 |
ae wavefunction |
| 4899 |
.151059377480E-03 .155960524120E-03 .161020612578E-03 .166244792305E-03 .171638379267E-03 |
| 4900 |
.177206861306E-03 .182955903670E-03 .188891354729E-03 .195019251859E-03 .201345827531E-03 |
| 4901 |
.207877515575E-03 .214620957660E-03 .221583009967E-03 .228770750086E-03 .236191484124E-03 |
| 4902 |
.243852754039E-03 .251762345212E-03 .259928294254E-03 .268358897063E-03 .277062717136E-03 |
| 4903 |
.286048594142E-03 .295325652768E-03 .304903311844E-03 .314791293754E-03 .324999634147E-03 |
| 4904 |
.335538691950E-03 .346419159699E-03 .357652074193E-03 .369248827483E-03 .381221178204E-03 |
| 4905 |
.393581263265E-03 .406341609899E-03 .419515148098E-03 .433115223427E-03 .447155610239E-03 |
| 4906 |
.461650525311E-03 .476614641884E-03 .492063104159E-03 .508011542228E-03 .524476087471E-03 |
| 4907 |
.541473388430E-03 .559020627168E-03 .577135536133E-03 .595836415542E-03 .615142151292E-03 |
| 4908 |
.635072233421E-03 .655646775136E-03 .676886532411E-03 .698812924191E-03 .721448053199E-03 |
| 4909 |
.744814727376E-03 .768936481966E-03 .793837602267E-03 .819543147059E-03 .846078972739E-03 |
| 4910 |
.873471758171E-03 .901749030273E-03 .930939190367E-03 .961071541300E-03 .992176315370E-03 |
| 4911 |
.102428470306E-02 .105742888264E-02 .109164205057E-02 .112695845284E-02 .116341341721E-02 |
| 4912 |
.120104338633E-02 .123988595187E-02 .127997988956E-02 .132136519524E-02 .136408312197E-02 |
| 4913 |
.140817621812E-02 .145368836653E-02 .150066482477E-02 .154915226652E-02 .159919882404E-02 |
| 4914 |
.165085413180E-02 .170416937133E-02 .175919731719E-02 .181599238422E-02 .187461067603E-02 |
| 4915 |
.193511003469E-02 .199755009177E-02 .206199232064E-02 .212850009012E-02 .219713871947E-02 |
| 4916 |
.226797553469E-02 .234107992624E-02 .241652340816E-02 .249437967854E-02 .257472468145E-02 |
| 4917 |
.265763667029E-02 .274319627253E-02 .283148655597E-02 .292259309636E-02 .301660404653E-02 |
| 4918 |
.311361020695E-02 .321370509767E-02 .331698503180E-02 .342354919032E-02 .353349969836E-02 |
| 4919 |
.364694170279E-02 .376398345126E-02 .388473637250E-02 .400931515794E-02 .413783784463E-02 |
| 4920 |
.427042589925E-02 .440720430340E-02 .454830163989E-02 .469385018009E-02 .484398597219E-02 |
| 4921 |
.499884893033E-02 .515858292446E-02 .532333587081E-02 .549325982298E-02 .566851106323E-02 |
| 4922 |
.584925019418E-02 .603564223044E-02 .622785669018E-02 .642606768641E-02 .663045401763E-02 |
| 4923 |
.684119925789E-02 .705849184563E-02 .728252517141E-02 .751349766390E-02 .775161287407E-02 |
| 4924 |
.799707955702E-02 .825011175122E-02 .851092885468E-02 .877975569759E-02 .905682261099E-02 |
| 4925 |
.934236549099E-02 .963662585794E-02 .993985090987E-02 .102522935698E-01 .105742125261E-01 |
| 4926 |
.109058722650E-01 .112475430948E-01 .115995011607E-01 .119620284495E-01 .123354127833E-01 |
| 4927 |
.127199478006E-01 .131159329245E-01 .135236733165E-01 .139434798145E-01 .143756688539E-01 |
| 4928 |
.148205623706E-01 .152784876835E-01 .157497773562E-01 .162347690359E-01 .167338052661E-01 |
| 4929 |
.172472332744E-01 .177754047297E-01 .183186754705E-01 .188774051983E-01 .194519571368E-01 |
| 4930 |
.200426976531E-01 .206499958378E-01 .212742230423E-01 .219157523701E-01 .225749581184E-01 |
| 4931 |
.232522151676E-01 .239478983153E-01 .246623815501E-01 .253960372634E-01 .261492353938E-01 |
| 4932 |
.269223425006E-01 .277157207625E-01 .285297268961E-01 .293647109914E-01 .302210152575E-01 |
| 4933 |
.310989726746E-01 .319989055478E-01 .329211239561E-01 .338659240917E-01 .348335864849E-01 |
| 4934 |
.358243741068E-01 .368385303458E-01 .378762768513E-01 .389378112376E-01 .400233046424E-01 |
| 4935 |
.411328991343E-01 .422667049611E-01 .434247976343E-01 .446072148414E-01 .458139531821E-01 |
| 4936 |
.470449647194E-01 .483001533414E-01 .495793709266E-01 .508824133076E-01 .522090160269E-01 |
| 4937 |
.535588498806E-01 .549315162446E-01 .563265421791E-01 .577433753083E-01 .591813784716E-01 |
| 4938 |
.606398241459E-01 .621178886351E-01 .636146460304E-01 .651290619393E-01 .666599869875E-01 |
| 4939 |
.682061500989E-01 .697661515563E-01 .713384558542E-01 .729213843511E-01 .745131077342E-01 |
| 4940 |
.761116383119E-01 .777148221508E-01 .793203310770E-01 .809256545684E-01 .825280915617E-01 |
| 4941 |
.841247422088E-01 .857124996153E-01 .872880416035E-01 .888478225428E-01 .903880652988E-01 |
| 4942 |
.919047533556E-01 .933936231734E-01 .948501568487E-01 .962695751503E-01 .976468310133E-01 |
| 4943 |
.989766035796E-01 .100253292878E+00 .101471015254E+00 .102623599651E+00 .103704584878E+00 |
| 4944 |
.104707217978E+00 .105624453851E+00 .106448956270E+00 .107173100449E+00 .107788977341E+00 |
| 4945 |
.108288399829E+00 .108662911011E+00 .108903794772E+00 .109002088849E+00 .108948600619E+00 |
| 4946 |
.108733925814E+00 .108348470429E+00 .107782476040E+00 .107026048811E+00 .106069192420E+00 |
| 4947 |
.104901845194E+00 .103513921706E+00 .101895359105E+00 .100036168453E+00 .979264913315E-01 |
| 4948 |
.955566619749E-01 .929172751856E-01 .899992602665E-01 .867939611894E-01 .832932231985E-01 |
| 4949 |
.794894860197E-01 .753758838152E-01 .709463519862E-01 .661957408865E-01 .611199364627E-01 |
| 4950 |
.557159877905E-01 .499822414220E-01 .439184824105E-01 .375260818220E-01 .308081504919E-01 |
| 4951 |
.237696987296E-01 .164178016160E-01 .876176947364E-02 .813323004364E-03 -.741322752467E-02 |
| 4952 |
-.159007998325E-01 -.246293549443E-01 -.335757116697E-01 -.427133621408E-01 -.520122910084E-01 |
| 4953 |
-.614388017831E-01 -.709553547884E-01 -.805204219704E-01 -.900883637045E-01 -.996093305631E-01 |
| 4954 |
-.109029187229E+00 -.118289445417E+00 -.127327179510E+00 -.136074889026E+00 -.144460276770E+00 |
| 4955 |
-.152405938844E+00 -.159829009187E+00 -.166640846770E+00 -.172746868312E+00 -.178046592839E+00 |
| 4956 |
-.182433887306E+00 -.185797331820E+00 -.188020606003E+00 -.188982836131E+00 -.188558895599E+00 |
| 4957 |
-.186619682941E+00 -.183032406141E+00 -.177660891660E+00 -.170365923942E+00 -.161005611726E+00 |
| 4958 |
-.149435772257E+00 -.135510322374E+00 -.119081665288E+00 -.100001062586E+00 -.781189819864E-01 |
| 4959 |
-.532854121368E-01 -.253501363098E-01 .583704303801E-02 .404261369719E-01 .785668685721E-01 |
| 4960 |
.120408646344E+00 .166100622522E+00 .215791847373E+00 .269631532049E+00 .327769434397E+00 |
| 4961 |
.390356384479E+00 .457544969431E+00 .529490400826E+00 .606351591923E+00 .688292477140E+00 |
| 4962 |
.775483611861E+00 .868104097163E+00 .966343881368E+00 .107040649767E+01 .118051230869E+01 |
| 4963 |
.129690233012E+01 |
| 4964 |
pseudo wavefunction |
| 4965 |
.876800942919E-08 .934750820283E-08 .996530744023E-08 .106239385109E-07 .113261000886E-07 |
| 4966 |
.120746692089E-07 .128727130575E-07 .137235015379E-07 .146305206693E-07 .155974868702E-07 |
| 4967 |
.166283621861E-07 .177273705236E-07 .188990149574E-07 .201480961813E-07 .214797321784E-07 |
| 4968 |
.228993791914E-07 .244128540793E-07 .260263581512E-07 .277465025757E-07 .295803354691E-07 |
| 4969 |
.315353707747E-07 .336196190504E-07 .358416202909E-07 .382104789196E-07 .407359010930E-07 |
| 4970 |
.434282344708E-07 .462985106142E-07 .493584901867E-07 .526207111420E-07 .560985400973E-07 |
| 4971 |
.598062271014E-07 .637589640228E-07 .679729467968E-07 .724654417870E-07 .772548565319E-07 |
| 4972 |
.823608151682E-07 .878042388385E-07 .936074314137E-07 .997941708807E-07 .106389806770E-06 |
| 4973 |
.113421364022E-06 .120917653723E-06 .128909391148E-06 .137429321620E-06 .146512354678E-06 |
| 4974 |
.156195707115E-06 .166519055469E-06 .177524698598E-06 .189257730987E-06 .201766227524E-06 |
| 4975 |
.215101440481E-06 .229318009513E-06 .244474185538E-06 .260632069415E-06 .277857866393E-06 |
| 4976 |
.296222157385E-06 .315800188158E-06 .336672177651E-06 .358923646660E-06 .382645768248E-06 |
| 4977 |
.407935741319E-06 .434897188879E-06 .463640582620E-06 .494283695562E-06 .526952084616E-06 |
| 4978 |
.561779605040E-06 .598908958892E-06 .638492279736E-06 .680691755993E-06 .725680295482E-06 |
| 4979 |
.773642233894E-06 .824774090084E-06 .879285371278E-06 .937399431503E-06 .999354386754E-06 |
| 4980 |
.106540409064E-05 .113581917451E-05 .121088815635E-05 .129091862290E-05 .137623848999E-05 |
| 4981 |
.146719734613E-05 .156416788485E-05 .166754743180E-05 .177775957271E-05 .189525588897E-05 |
| 4982 |
.202051780793E-05 .215405857544E-05 .229642535878E-05 .244820148864E-05 .261000884915E-05 |
| 4983 |
.278251042597E-05 .296641302275E-05 .316247015708E-05 .337148514794E-05 .359431440709E-05 |
| 4984 |
.383187094802E-05 .408512812686E-05 .435512363048E-05 .464296372811E-05 .494982780407E-05 |
| 4985 |
.527697318997E-05 .562574031625E-05 .599755820430E-05 .639395032137E-05 .681654082259E-05 |
| 4986 |
.726706120540E-05 .774735740376E-05 .825939735129E-05 .880527904412E-05 .938723913663E-05 |
| 4987 |
.100076621053E-04 .106690900180E-04 .113742329492E-04 .121259800829E-04 .129274115503E-04 |
| 4988 |
.137818110482E-04 .146926792929E-04 .156637483622E-04 .166989969852E-04 .178026668427E-04 |
| 4989 |
.189792799449E-04 .202336571571E-04 .215709379492E-04 .229966014514E-04 .245164888998E-04 |
| 4990 |
.261368275659E-04 .278642562675E-04 .297058525640E-04 .316691617501E-04 .337622277638E-04 |
| 4991 |
.359936261373E-04 .383724991248E-04 .409085931505E-04 .436122987313E-04 .464946930367E-04 |
| 4992 |
.495675852597E-04 .528435649859E-04 .563360537566E-04 .600593600386E-04 .640287378248E-04 |
| 4993 |
.682604491045E-04 .727718304609E-04 .775813640660E-04 .827087533641E-04 .881750037533E-04 |
| 4994 |
.940025085951E-04 .100215140902E-03 .106838351079E-03 .113899271120E-03 .121426825680E-03 |
| 4995 |
.129451850478E-03 .138007218521E-03 .147127974656E-03 .156851478992E-03 .167217559805E-03 |
| 4996 |
.178268676513E-03 .190050093415E-03 .202610064881E-03 .216000032767E-03 .230274836838E-03 |
| 4997 |
.245492939072E-03 .261716662751E-03 .279012447307E-03 .297451119968E-03 .317108185303E-03 |
| 4998 |
.338064133837E-03 .360404770996E-03 .384221567711E-03 .409612034101E-03 .436680117756E-03 |
| 4999 |
.465536628216E-03 .496299689376E-03 .529095221642E-03 .564057455770E-03 .601329480479E-03 |
| 5000 |
.641063826030E-03 .683423086115E-03 .728580580566E-03 .776721061532E-03 .828041465956E-03 |
| 5001 |
.882751717358E-03 .941075580128E-03 .100325156974E-02 .106953392247E-02 .114019362857E-02 |
| 5002 |
.121551953281E-02 .129581950697E-02 .138142169865E-02 .147267586158E-02 .156995477238E-02 |
| 5003 |
.167365573951E-02 .178420221022E-02 .190204548166E-02 .202766652295E-02 .216157791508E-02 |
| 5004 |
.230432591607E-02 .245649265950E-02 .261869849446E-02 .279160447600E-02 .297591501533E-02 |
| 5005 |
.317238069977E-02 .338180129278E-02 .360502892529E-02 .384297148989E-02 .409659625027E-02 |
| 5006 |
.436693367886E-02 .465508153640E-02 .496220920774E-02 .528956230910E-02 .563846758260E-02 |
| 5007 |
.601033809478E-02 .640667875647E-02 .682909218230E-02 .727928490893E-02 .775907399167E-02 |
| 5008 |
.827039400030E-02 .881530443543E-02 .939599758743E-02 .100148068609E-01 .106742155883E-01 |
| 5009 |
.113768663561E-01 .121255708695E-01 .129233203788E-01 .137732966940E-01 .146788838121E-01 |
| 5010 |
.156436801832E-01 .166715116379E-01 .177664450033E-01 .189328024277E-01 .201751764366E-01 |
| 5011 |
.214984457406E-01 .229077918110E-01 .244087162380E-01 .260070588813E-01 .277090168194E-01 |
| 5012 |
.295211640968E-01 .314504722621E-01 .335043316825E-01 .356905736097E-01 .380174929610E-01 |
| 5013 |
.404938717663E-01 .431290032176E-01 .459327162362E-01 .489154004572E-01 .520880315025E-01 |
| 5014 |
.554621963885E-01 .590501188839E-01 .628646845960E-01 .669194655242E-01 .712287437731E-01 |
| 5015 |
.758075340664E-01 .806716046432E-01 .858374960531E-01 .913225372928E-01 .971448586440E-01 |
| 5016 |
.103323400480E+00 .109877917210E+00 .116828975410E+00 .124197945074E+00 .132006982779E+00 |
| 5017 |
.140279005407E+00 .149037652906E+00 .158307238415E+00 .168112683857E+00 .178479438948E+00 |
| 5018 |
.189433381339E+00 .201000695392E+00 .213207726887E+00 .226080810723E+00 .239646068460E+00 |
| 5019 |
.253929172356E+00 .268955072346E+00 .284747682278E+00 .301329521590E+00 .318721308578E+00 |
| 5020 |
.336941501427E+00 .356005783316E+00 .375926488182E+00 .396711964169E+00 .418365872421E+00 |
| 5021 |
.440886419795E+00 .464265525259E+00 .488487921304E+00 .513530193674E+00 .539359765212E+00 |
| 5022 |
.565933832605E+00 .593198268522E+00 .621086505922E+00 .649518426467E+00 .678399280811E+00 |
| 5023 |
.707618675275E+00 .737049666855E+00 .766548016726E+00 .795951661151E+00 .825080467758E+00 |
| 5024 |
.853736354175E+00 .881703854475E+00 .908751226040E+00 .934632194409E+00 .959088435217E+00 |
| 5025 |
.981852888934E+00 .100265399395E+01 .102122090455E+01 .103728972981E+01 .105061078496E+01 |
| 5026 |
.106095678522E+01 .106813183090E+01 .107198092903E+01 .107239966993E+01 .106934352597E+01 |
| 5027 |
.106283606749E+01 .105297520198E+01 .103993634791E+01 .102397126974E+01 .100540114852E+01 |
| 5028 |
.984602376785E+00 .961983587564E+00 .937952609537E+00 .912872443939E+00 .887006052763E+00 |
| 5029 |
.860452992548E+00 |
| 5030 |
ae wavefunction |
| 5031 |
.106376700892E-06 .113087413803E-06 .120167236645E-06 .127639483744E-06 .135528816674E-06 |
| 5032 |
.143861331680E-06 .152664652631E-06 .161968029723E-06 .171802444287E-06 .182200720122E-06 |
| 5033 |
.193197641780E-06 .204830080265E-06 .217137126625E-06 .230160233977E-06 .243943368496E-06 |
| 5034 |
.258533169978E-06 .273979122604E-06 .290333736564E-06 .307652741272E-06 .325995290924E-06 |
| 5035 |
.345424183216E-06 .366006092090E-06 .387811815424E-06 .410916538653E-06 .435400115376E-06 |
| 5036 |
.461347366055E-06 .488848395999E-06 .517998933913E-06 .548900692345E-06 .581661751487E-06 |
| 5037 |
.616396967856E-06 .653228409491E-06 .692285819420E-06 .733707109229E-06 .777638884741E-06 |
| 5038 |
.824237005887E-06 .873667183032E-06 .926105612138E-06 .981739651318E-06 .104076854150E-05 |
| 5039 |
.110340417408E-05 .116987190869E-05 .124041144428E-05 .131527774710E-05 .139474203931E-05 |
| 5040 |
.147909285209E-05 .156863714758E-05 .166370151417E-05 .176463343984E-05 .187180266875E-05 |
| 5041 |
.198560264655E-05 .210645206009E-05 .223479647791E-05 .237111009795E-05 .251589760950E-05 |
| 5042 |
.266969617698E-05 .283307755347E-05 .300665033235E-05 .319106234635E-05 .338700322333E-05 |
| 5043 |
.359520710936E-05 .381645556972E-05 .405158067970E-05 .430146831748E-05 .456706167228E-05 |
| 5044 |
.484936498185E-05 .514944751434E-05 .546844781039E-05 .580757820245E-05 .616812962949E-05 |
| 5045 |
.655147676623E-05 .695908348745E-05 .739250868932E-05 .785341249074E-05 .834356283974E-05 |
| 5046 |
.886484255102E-05 .941925680293E-05 .100089411236E-04 .106361698981E-04 .113033654302E-04 |
| 5047 |
.120131075958E-04 .127681441243E-04 .135714015515E-04 .144259968849E-04 .153352500294E-04 |
| 5048 |
.163026970217E-04 .173321041264E-04 .184274828491E-04 .195931059255E-04 .208335243507E-04 |
| 5049 |
.221535855148E-04 .235584525170E-04 .250536247328E-04 .266449597174E-04 .283386965292E-04 |
| 5050 |
.301414805655E-04 .320603900083E-04 .341029639827E-04 .362772325379E-04 .385917485686E-04 |
| 5051 |
.410556217999E-04 .436785549684E-04 .464708823404E-04 .494436107148E-04 .526084630715E-04 |
| 5052 |
.559779250320E-04 .595652943117E-04 .633847333553E-04 .674513253550E-04 .717811338686E-04 |
| 5053 |
.763912662638E-04 .812999412304E-04 .865265606192E-04 .920917858780E-04 .980176193759E-04 |
| 5054 |
.104327490922E-03 .111046349803E-03 .118200762693E-03 .125819017788E-03 .133931235567E-03 |
| 5055 |
.142569486591E-03 .151767916764E-03 .161562880536E-03 .171993082532E-03 .183099728119E-03 |
| 5056 |
.194926683483E-03 .207520645769E-03 .220931323935E-03 .235211630950E-03 .250417888030E-03 |
| 5057 |
.266610041664E-03 .283851894174E-03 .302211348653E-03 .321760669129E-03 .342576756879E-03 |
| 5058 |
.364741443858E-03 .388341804248E-03 .413470485229E-03 .440226058081E-03 .468713390831E-03 |
| 5059 |
.499044043701E-03 .531336688690E-03 .565717554690E-03 .602320899606E-03 .641289511049E-03 |
| 5060 |
.682775237216E-03 .726939549682E-03 .773954139915E-03 .824001551398E-03 .877275849343E-03 |
| 5061 |
.933983330099E-03 .994343272418E-03 .105858873288E-02 .112696738786E-02 .119974242457E-02 |
| 5062 |
.127719348371E-02 .135961765659E-02 .144733053946E-02 .154066734799E-02 .163998409513E-02 |
| 5063 |
.174565883545E-02 .185809297922E-02 .197771267987E-02 .210497029824E-02 .224034594739E-02 |
| 5064 |
.238434912175E-02 .253752041457E-02 .270043332766E-02 .287369617763E-02 .305795410281E-02 |
| 5065 |
.325389117523E-02 .346223262206E-02 .368374716102E-02 .391924945424E-02 .416960268529E-02 |
| 5066 |
.443572126384E-02 .471857366264E-02 .501918539142E-02 .533864211224E-02 .567809290071E-02 |
| 5067 |
.603875365747E-02 .642191067419E-02 .682892435788E-02 .726123311760E-02 .772035741668E-02 |
| 5068 |
.820790399386E-02 .872557025585E-02 .927514884363E-02 .985853237406E-02 .104777183579E-01 |
| 5069 |
.111348142943E-01 .118320429415E-01 .125717477618E-01 .133563985387E-01 .141885971617E-01 |
| 5070 |
.150710835746E-01 .160067418798E-01 .169986065912E-01 .180498690246E-01 .191638838151E-01 |
| 5071 |
.203441755463E-01 .215944454747E-01 .229185783311E-01 .243206491763E-01 .258049302872E-01 |
| 5072 |
.273758980435E-01 .290382397858E-01 .307968606070E-01 .326568900396E-01 .346236885944E-01 |
| 5073 |
.367028541013E-01 .389002278011E-01 .412219001270E-01 .436742161149E-01 .462637803697E-01 |
| 5074 |
.489974615148E-01 .518823960404E-01 .549259914628E-01 .581359287001E-01 .615201635596E-01 |
| 5075 |
.650869272297E-01 .688447256561E-01 .728023376806E-01 .769688118071E-01 .813534614566E-01 |
| 5076 |
.859658585633E-01 .908158253555E-01 .959134241600E-01 .101268945060E+00 .106892891232E+00 |
| 5077 |
.112795961776E+00 .118989031859E+00 .125483129974E+00 .132289412126E+00 .139419132743E+00 |
| 5078 |
.146883612124E+00 .154694200223E+00 .162862236587E+00 .171399006251E+00 .180315691438E+00 |
| 5079 |
.189623318879E+00 .199332702626E+00 .209454382222E+00 .219998556134E+00 .230975010377E+00 |
| 5080 |
.242393042285E+00 .254261379434E+00 .266588093757E+00 .279380510946E+00 .292645115267E+00 |
| 5081 |
.306387449993E+00 .320612013705E+00 .335322152738E+00 .350519950160E+00 .366206111659E+00 |
| 5082 |
.382379848796E+00 .399038760101E+00 .416178710538E+00 .433793709878E+00 .451875790568E+00 |
| 5083 |
.470414885758E+00 .489398708235E+00 .508812631219E+00 .528639572274E+00 .548859882133E+00 |
| 5084 |
.569451240978E+00 .590388565945E+00 .611643935260E+00 .633186536732E+00 .654982651249E+00 |
| 5085 |
.676995685242E+00 .699186268990E+00 .721512438144E+00 .743929910111E+00 .766392449272E+00 |
| 5086 |
.788852279292E+00 .811260446533E+00 .833566980334E+00 .855720670381E+00 .877668337660E+00 |
| 5087 |
.899353638918E+00 .920715675787E+00 .941687868576E+00 .962197568574E+00 .982166651298E+00 |
| 5088 |
.100151294021E+01 .102015199363E+01 .103799875596E+01 .105496880038E+01 .107097916191E+01 |
| 5089 |
.108594890868E+01 .109979961198E+01 .111245582099E+01 .112384558656E+01 .113390103606E+01 |
| 5090 |
.114255897893E+01 .114976151523E+01 .115545662016E+01 .115959868275E+01 .116214898256E+01 |
| 5091 |
.116307609395E+01 .116235621160E+01 .115997339441E+01 .115591972686E+01 .115019539897E+01 |
| 5092 |
.114280870681E+01 .113377597710E+01 .112312142000E+01 .111087691529E+01 .109708173797E+01 |
| 5093 |
.108178222991E+01 .106503142466E+01 .104688863309E+01 .102741899727E+01 .100669302004E+01 |
| 5094 |
.984786077433E+00 .961777919909E+00 .937752168082E+00 .912795806820E+00 .886998680870E+00 |
| 5095 |
.860452992548E+00 |
| 5096 |
pseudo wavefunction |
| 5097 |
-.484981210978E-08 -.517034782341E-08 -.551206851094E-08 -.587637433806E-08 -.626475801078E-08 |
| 5098 |
-.667881089163E-08 -.712022952007E-08 -.759082256394E-08 -.809251823026E-08 -.862737216586E-08 |
| 5099 |
-.919757588020E-08 -.980546572483E-08 -.104535324664E-07 -.111444314922E-07 -.118809936904E-07 |
| 5100 |
-.126662370496E-07 -.135033790242E-07 -.143958497179E-07 -.153473059381E-07 -.163616461796E-07 |
| 5101 |
-.174430265977E-07 -.185958780382E-07 -.198249241917E-07 -.211352009493E-07 -.225320770357E-07 |
| 5102 |
-.240212760075E-07 -.256088997050E-07 -.273014532535E-07 -.291058717175E-07 -.310295485164E-07 |
| 5103 |
-.330803657184E-07 -.352667263361E-07 -.375975887573E-07 -.400825034508E-07 -.427316520988E-07 |
| 5104 |
-.455558893145E-07 -.485667871188E-07 -.517766823542E-07 -.551987272348E-07 -.588469432353E-07 |
| 5105 |
-.627362785426E-07 -.668826693048E-07 -.713031049274E-07 -.760156976854E-07 -.810397569369E-07 |
| 5106 |
-.863958682405E-07 -.921059777024E-07 -.981934818985E-07 -.104683323739E-06 -.111602094668E-06 |
| 5107 |
-.118978143621E-06 -.126841693181E-06 -.135224963409E-06 -.144162303866E-06 -.153690334354E-06 |
| 5108 |
-.163848094962E-06 -.174677206025E-06 -.186222038665E-06 -.198529896590E-06 -.211651209915E-06 |
| 5109 |
-.225639741800E-06 -.240552808727E-06 -.256451515356E-06 -.273401004888E-06 -.291470725984E-06 |
| 5110 |
-.310734717316E-06 -.331271910937E-06 -.353166455688E-06 -.376508061991E-06 -.401392369417E-06 |
| 5111 |
-.427921338563E-06 -.456203668815E-06 -.486355243727E-06 -.518499605835E-06 -.552768462857E-06 |
| 5112 |
-.589302227334E-06 -.628250591955E-06 -.669773142891E-06 -.714040013671E-06 -.761232582275E-06 |
| 5113 |
-.811544214289E-06 -.865181055189E-06 -.922362874974E-06 -.983323968628E-06 -.104831411609E-05 |
| 5114 |
-.111759960569E-05 -.119146432515E-05 -.127021092481E-05 -.135416205761E-05 -.144366170111E-05 |
| 5115 |
-.153907656682E-05 -.164079760268E-05 -.174924159491E-05 -.186485287559E-05 -.198810514322E-05 |
| 5116 |
-.211950340349E-05 -.225958603841E-05 -.240892701210E-05 -.256813822235E-05 -.273787200769E-05 |
| 5117 |
-.291882382001E-05 -.311173507387E-05 -.331739618410E-05 -.353664980411E-05 -.377039427823E-05 |
| 5118 |
-.401958732215E-05 -.428524994664E-05 -.456847064045E-05 -.487040982971E-05 -.519230463199E-05 |
| 5119 |
-.553547392442E-05 -.590132374684E-05 -.629135306184E-05 -.670715989552E-05 -.715044788386E-05 |
| 5120 |
-.762303325178E-05 -.812685225324E-05 -.866396910290E-05 -.923658443192E-05 -.984704430227E-05 |
| 5121 |
-.104978498167E-04 -.111916673638E-04 -.119313395390E-04 -.127198967884E-04 -.135605698208E-04 |
| 5122 |
-.144568028395E-04 -.154122676493E-04 -.164308786935E-04 -.175168090859E-04 -.186745077006E-04 |
| 5123 |
-.199087173907E-04 -.212244944099E-04 -.226272291173E-04 -.241226680492E-04 -.257169374475E-04 |
| 5124 |
-.274165683426E-04 -.292285232921E-04 -.311602248837E-04 -.332195861213E-04 -.354150428150E-04 |
| 5125 |
-.377555881103E-04 -.402508092948E-04 -.429109270347E-04 -.457468371992E-04 -.487701554451E-04 |
| 5126 |
-.519932647415E-04 -.554293660300E-04 -.590925322246E-04 -.629977657738E-04 -.671610600158E-04 |
| 5127 |
-.715994645799E-04 -.763311550967E-04 -.813755075024E-04 -.867531772382E-04 -.924861836656E-04 |
| 5128 |
-.985980000416E-04 -.105113649416E-03 -.112059806841E-03 -.119464908308E-03 -.127359266843E-03 |
| 5129 |
-.135775196248E-03 -.144747142968E-03 -.154311826620E-03 -.164508389768E-03 -.175378557515E-03 |
| 5130 |
-.186966807581E-03 -.199320551533E-03 -.212490327900E-03 -.226530007941E-03 -.241497014895E-03 |
| 5131 |
-.257452557576E-03 -.274461879255E-03 -.292594522804E-03 -.311924613169E-03 -.332531158267E-03 |
| 5132 |
-.354498369521E-03 -.377916003265E-03 -.402879724382E-03 -.429491493587E-03 -.457859979859E-03 |
| 5133 |
-.488100999641E-03 -.520337984491E-03 -.554702478997E-03 -.591334670871E-03 -.630383955233E-03 |
| 5134 |
-.672009535253E-03 -.716381061407E-03 -.763679311757E-03 -.814096915808E-03 -.867839124620E-03 |
| 5135 |
-.925124630025E-03 -.986186435947E-03 -.105127278500E-02 -.112064814366E-02 -.119459424963E-02 |
| 5136 |
-.127341122495E-02 -.135741875884E-02 -.144695736438E-02 -.154238971319E-02 -.164410205274E-02 |
| 5137 |
-.175250571083E-02 -.186803869227E-02 -.199116737280E-02 -.212238829545E-02 -.226223007509E-02 |
| 5138 |
-.241125541661E-02 -.257006325271E-02 -.273929100740E-02 -.291961699125E-02 -.311176293483E-02 |
| 5139 |
-.331649666668E-02 -.353463494230E-02 -.376704643060E-02 -.401465486427E-02 -.427844236040E-02 |
| 5140 |
-.455945291747E-02 -.485879609456E-02 -.517765087828E-02 -.551726974244E-02 -.587898290465E-02 |
| 5141 |
-.626420278338E-02 -.667442865800E-02 -.711125153281E-02 -.757635920484E-02 -.807154153319E-02 |
| 5142 |
-.859869590547E-02 -.915983289434E-02 -.975708209415E-02 -.103926981239E-01 -.110690667787E-01 |
| 5143 |
-.117887113070E-01 -.125542987846E-01 -.133686465518E-01 -.142347286687E-01 -.151556823396E-01 |
| 5144 |
-.161348142443E-01 -.171756067022E-01 -.182817235853E-01 -.194570158786E-01 -.207055267687E-01 |
| 5145 |
-.220314961265E-01 -.234393642216E-01 -.249337744894E-01 -.265195751357E-01 -.282018193402E-01 |
| 5146 |
-.299857637799E-01 -.318768651574E-01 -.338807743746E-01 -.360033279438E-01 -.382505361751E-01 |
| 5147 |
-.406285676186E-01 -.431437291758E-01 -.458024412223E-01 -.486112070040E-01 -.515765754874E-01 |
| 5148 |
-.547050967478E-01 -.580032688826E-01 -.614774753320E-01 -.651339113731E-01 -.689784984396E-01 |
| 5149 |
-.730167847954E-01 -.772538309642E-01 -.816940781960E-01 -.863411981213E-01 -.911979216348E-01 |
| 5150 |
-.962658449377E-01 -.101545210582E+00 -.107034661297E+00 -.112730964337E+00 -.118628704124E+00 |
| 5151 |
-.124719941003E+00 -.130993834083E+00 -.137436226395E+00 -.144029190886E+00 -.150750536321E+00 |
| 5152 |
-.157573272760E+00 -.164465037129E+00 -.171387480481E+00 -.178295619833E+00 -.185137159123E+00 |
| 5153 |
-.191851785719E+00 -.198370451268E+00 -.204614648334E+00 -.210495697360E+00 -.215914062001E+00 |
| 5154 |
-.220758714745E+00 -.224906578945E+00 -.228222077845E+00 -.230556825737E+00 -.231749500859E+00 |
| 5155 |
-.231625943672E+00 -.229999527507E+00 -.226671850571E+00 -.221433798478E+00 -.214067024019E+00 |
| 5156 |
-.204345884891E+00 -.192039869647E+00 -.176916526010E+00 -.158744882936E+00 -.137299327216E+00 |
| 5157 |
-.112363856392E+00 -.837365817490E-01 -.512342988727E-01 -.146968800657E-01 .260088236197E-01 |
| 5158 |
.709859473943E-01 .120305874995E+00 .174008258681E+00 .232103247571E+00 .294576302991E+00 |
| 5159 |
.361395818621E+00 .432523481873E+00 .507926877214E+00 .587593208619E+00 .671542180701E+00 |
| 5160 |
.759835015304E+00 .852575310011E+00 .949896029782E+00 .105192549120E+01 .115872396875E+01 |
| 5161 |
.127018390490E+01 |
| 5162 |
ae wavefunction |
| 5163 |
-.472972142918E-07 -.502809550806E-07 -.534288103841E-07 -.567511463376E-07 -.602589280982E-07 |
| 5164 |
-.639637587127E-07 -.678779204502E-07 -.720144186850E-07 -.763870284991E-07 -.810103441839E-07 |
| 5165 |
-.858998318329E-07 -.910718852297E-07 -.965438852493E-07 -.102334263003E-06 -.108462566976E-06 |
| 5166 |
-.114949534415E-06 -.121817167258E-06 -.129088812886E-06 -.136789250034E-06 -.144944780187E-06 |
| 5167 |
-.153583324830E-06 -.162734528931E-06 -.172429871071E-06 -.182702780661E-06 -.193588762704E-06 |
| 5168 |
-.205125530605E-06 -.217353147560E-06 -.230314177081E-06 -.244053843261E-06 -.258620201423E-06 |
| 5169 |
-.274064319833E-06 -.290440473203E-06 -.307806348753E-06 -.326223265675E-06 -.345756408863E-06 |
| 5170 |
-.366475077844E-06 -.388452951924E-06 -.411768372601E-06 -.436504644380E-06 -.462750355197E-06 |
| 5171 |
-.490599717748E-06 -.520152933077E-06 -.551516577900E-06 -.584804017213E-06 -.620135843834E-06 |
| 5172 |
-.657640346671E-06 -.697454009563E-06 -.739722042725E-06 -.784598948928E-06 -.832249126674E-06 |
| 5173 |
-.882847512809E-06 -.936580267150E-06 -.993645501866E-06 -.105425405856E-05 -.111863033617E-05 |
| 5174 |
-.118701317300E-05 -.125965678643E-05 -.133683177411E-05 -.141882618059E-05 -.150594663373E-05 |
| 5175 |
-.159851955544E-05 -.169689245154E-05 -.180143528606E-05 -.191254194527E-05 -.203063179756E-05 |
| 5176 |
-.215615135520E-05 -.228957604481E-05 -.243141209348E-05 -.258219853821E-05 -.274250936664E-05 |
| 5177 |
-.291295579765E-05 -.309418871095E-05 -.328690123535E-05 -.349183150611E-05 -.370976560225E-05 |
| 5178 |
-.394154067566E-05 -.418804828444E-05 -.445023794372E-05 -.472912090816E-05 -.502577420112E-05 |
| 5179 |
-.534134490660E-05 -.567705474085E-05 -.603420492205E-05 -.641418135716E-05 -.681846016657E-05 |
| 5180 |
-.724861356850E-05 -.770631614632E-05 -.819335152374E-05 -.871161947402E-05 -.926314349147E-05 |
| 5181 |
-.985007885489E-05 -.104747212149E-04 -.111395157389E-04 -.118470668493E-04 -.126001485937E-04 |
| 5182 |
-.134017156874E-04 -.142549152716E-04 -.151630994328E-04 -.161298385333E-04 -.171589354034E-04 |
| 5183 |
-.182544404518E-04 -.194206677522E-04 -.206622121687E-04 -.219839675864E-04 -.233911463173E-04 |
| 5184 |
-.248892997576E-04 -.264843403742E-04 -.281825651068E-04 -.299906802733E-04 -.319158280768E-04 |
| 5185 |
-.339656148119E-04 -.361481408815E-04 -.384720327353E-04 -.409464768529E-04 -.435812558999E-04 |
| 5186 |
-.463867871929E-04 -.493741636189E-04 -.525551971624E-04 -.559424652033E-04 -.595493597589E-04 |
| 5187 |
-.633901398516E-04 -.674799871989E-04 -.718350654298E-04 -.764725830466E-04 -.814108603629E-04 |
| 5188 |
-.866694006623E-04 -.922689658382E-04 -.982316567873E-04 -.104580998849E-03 -.111342032598E-03 |
| 5189 |
-.118541410310E-03 -.126207498457E-03 -.134370486580E-03 -.143062502931E-03 -.152317737297E-03 |
| 5190 |
-.162172571418E-03 -.172665717465E-03 -.183838365057E-03 -.195734337304E-03 -.208400256429E-03 |
| 5191 |
-.221885719513E-03 -.236243484964E-03 -.251529670323E-03 -.267803962068E-03 -.285129838100E-03 |
| 5192 |
-.303574803640E-03 -.323210641291E-03 -.344113676076E-03 -.366365056271E-03 -.390051050939E-03 |
| 5193 |
-.415263365070E-03 -.442099473296E-03 -.470662973201E-03 -.501063959273E-03 -.533419418624E-03 |
| 5194 |
-.567853649606E-03 -.604498704550E-03 -.643494857881E-03 -.684991100905E-03 -.729145664640E-03 |
| 5195 |
-.776126572096E-03 -.826112221479E-03 -.879292001813E-03 -.935866942584E-03 -.996050398993E-03 |
| 5196 |
-.106006877451E-02 -.112816228242E-02 -.120058574819E-02 -.127760945438E-02 -.135952002996E-02 |
| 5197 |
-.144662138604E-02 -.153923569969E-02 -.163770444806E-02 -.174238949449E-02 -.185367422883E-02 |
| 5198 |
-.197196476371E-02 -.209769118885E-02 -.223130888538E-02 -.237329990186E-02 -.252417439411E-02 |
| 5199 |
-.268447213049E-02 -.285476406427E-02 -.303565397484E-02 -.322778017906E-02 -.343181731416E-02 |
| 5200 |
-.364847819316E-02 -.387851573387E-02 -.412272496194E-02 -.438194508841E-02 -.465706166164E-02 |
| 5201 |
-.494900879337E-02 -.525877145797E-02 -.558738786364E-02 -.593595189361E-02 -.630561561495E-02 |
| 5202 |
-.669759185176E-02 -.711315681877E-02 -.755365281070E-02 -.802049094143E-02 -.851515392653E-02 |
| 5203 |
-.903919890089E-02 -.959426026278E-02 -.101820525334E-01 -.108043732203E-01 -.114631056710E-01 |
| 5204 |
-.121602219014E-01 -.128977853819E-01 -.136779537620E-01 -.145029815117E-01 -.153752224563E-01 |
| 5205 |
-.162971321775E-01 -.172712702531E-01 -.183003023012E-01 -.193870017956E-01 -.205342516131E-01 |
| 5206 |
-.217450452710E-01 -.230224878088E-01 -.243697962648E-01 -.257902996938E-01 -.272874386674E-01 |
| 5207 |
-.288647641945E-01 -.305259359947E-01 -.322747200519E-01 -.341149853699E-01 -.360506998488E-01 |
| 5208 |
-.380859251916E-01 -.402248107488E-01 -.424715862004E-01 -.448305529696E-01 -.473060742583E-01 |
| 5209 |
-.499025635849E-01 -.526244717049E-01 -.554762717828E-01 -.584624426843E-01 -.615874502485E-01 |
| 5210 |
-.648557263988E-01 -.682716459433E-01 -.718395009169E-01 -.755634723093E-01 -.794475990276E-01 |
| 5211 |
-.834957439357E-01 -.877115568190E-01 -.920984341201E-01 -.966594753010E-01 -.101397435685E+00 |
| 5212 |
-.106314675651E+00 -.111413106042E+00 -.116694129691E+00 -.122158578946E+00 -.127806649124E+00 |
| 5213 |
-.133637827802E+00 -.139650819919E+00 -.145843468624E+00 -.152212671869E+00 -.158754294736E+00 |
| 5214 |
-.165463077504E+00 -.172332539485E+00 -.179354878656E+00 -.186520867151E+00 -.193819742660E+00 |
| 5215 |
-.201239095858E+00 -.208764754003E+00 -.216380660953E+00 -.224068754007E+00 -.231808838183E+00 |
| 5216 |
-.239578458923E+00 -.247352774701E+00 -.255104431738E+00 -.262803443932E+00 -.270417082304E+00 |
| 5217 |
-.277909779489E+00 -.285243055812E+00 -.292375473379E+00 -.299262621885E+00 -.305857132353E+00 |
| 5218 |
-.312108700555E+00 -.317964081005E+00 -.323366991509E+00 -.328257862320E+00 -.332573391282E+00 |
| 5219 |
-.336245933981E+00 -.339202846653E+00 -.341365964104E+00 -.342651386442E+00 -.342969647620E+00 |
| 5220 |
-.342226187351E+00 -.340321938987E+00 -.337153850317E+00 -.332615249521E+00 -.326596069998E+00 |
| 5221 |
-.318982997231E+00 -.309659599289E+00 -.298506478860E+00 -.285401461366E+00 -.270219818938E+00 |
| 5222 |
-.252834523455E+00 -.233116520853E+00 -.210935020787E+00 -.186157798852E+00 -.158651511825E+00 |
| 5223 |
-.128282029310E+00 -.949147876852E-01 -.584151743313E-01 -.186489519831E-01 .245172652344E-01 |
| 5224 |
.712154708464E-01 .121575645247E+00 .175725038559E+00 .233787339000E+00 .295881707164E+00 |
| 5225 |
.362121655279E+00 .432613749428E+00 .507456111914E+00 .586736700416E+00 .670531340478E+00 |
| 5226 |
.758901488024E+00 .851891699118E+00 .949526784875E+00 .105180863024E+01 .115871265627E+01 |
| 5227 |
.127018390490E+01 |
| 5228 |
End of Dataset |