[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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