[gpaw-users] Cerium RPBE setup
Chithra Asokan
casoka2 at gmail.com
Sun Nov 5 03:06:14 CET 2017
Hello,
We are trying to generate a cerium set up file for RPBE.
According to previous discussion threads, this basic code should be a
starting point:
from gpaw import GPAW
from gpaw.atom.generator2 import main as g
g=g(['-f', 'RPBE', '-ws', 'Ce'])
However, running this generates the attached error file.
Is there a more recent way to generate the Cerium set up file?
Chithra
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