[ase-users] quantum espresso -ase
Alexandra Davila
davila at theo-physik.uni-kiel.de
Thu Mar 2 12:14:52 CET 2017
Hi ase-users,
in order to read espresso files I used :
from ase.io import read
from ase import atoms
im = read('neccluster.out',format='espresso-out')
but I get a error message :TypeError: read_espresso_out() takes exactly
2 arguments (1 given)
I just tried to use read as with Vasp, what iI am doing wrong? do i need
ase-espresso?
Thanks,
--
A. Dávila
AG. Pehlke
Institut für Theoretische Physik und Astrophysik
Christian-Albrechts-Universität zu Kiel
Leibnizstr. 15
24118 Kiel
More information about the ase-users
mailing list