[ase-users] QE calculator

Alexandra Davila davila at theo-physik.uni-kiel.de
Tue Oct 10 10:43:13 CEST 2017


hi ase users,

I want to use quantum espresso calculator:

from ase.calculators.espresso import Espresso

but I got:

from ase.calculators.espresso import ESPRESSO
ModuleNotFoundError: No module named 'ase.calculators.espresso'

It worked for Vasp!

Thanks for your help!





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