root / ase / examples / stm.py @ 1
Historique | Voir | Annoter | Télécharger (213 octet)
| 1 | 1 | tkerber | from ase import Atoms |
|---|---|---|---|
| 2 | 1 | tkerber | from ase.dft import STM |
| 3 | 1 | tkerber | from gpaw import GPAW |
| 4 | 1 | tkerber | calc = GPAW('Al100.gpw')
|
| 5 | 1 | tkerber | a0 = calc.get_atoms() |
| 6 | 1 | tkerber | stm = STM(calc, [0, 1, 2]) |
| 7 | 1 | tkerber | c = stm.get_averaged_current(2.5)
|
| 8 | 1 | tkerber | h = stm.scan(c) |
| 9 | 1 | tkerber | print h[8]-h[:, 8] |
| 10 | 1 | tkerber |