#!/usr/bin/env python
from ase.embed import Embed
from ase.io.vasp import read_vasp
from ase.calculators.qmx import Qmx
from ase.calculators.vasp import Vasp
from ase.optimize import QuasiNewton

high_level=Vasp(write_input=False)
low_level=Vasp(write_input=False)
qmx=Qmx(high_level, low_level)

system=read_vasp('POSCAR')
cluster=read_vasp('POSCAR')
embed=Embed(system, cluster, cell_cluster="Auto")
embed.embed()
embed.set_calculator(qmx)

job=QuasiNewton(embed, trajectory="embed.traj")
job.run(fmax=0.01, steps=100)