#VMD
from Dacapo.ElectronicStates import ElectronicStates
from Dacapo import Dacapo
from  ASE.Utilities.STMTool import STMTool
from ASE.Visualization.VMD import VMD
from ASE.IO.Cube import WriteCube

electronicstates = ElectronicStates(filename='Al-bcc_100_1layer.nc')
atoms=Dacapo.ReadAtoms('Al-bcc_100_1layer.nc')
n=0.1
stm = STMTool(electronicstates,contourvalue=1.4e-4,smoothfactor=n)
stmgrid = stm.GetStrippedGrid()
atoms.SetUnitCell(stmgrid.GetSpace().GetBasis(),fix=True)
WriteCube(atoms,stmgrid.Array,'test.cube')