[CP2K-user] SCF does not converge for Pd(111) with ethanol
Jonathan Campeggio
jonathan... at gmail.com
Thu Mar 11 12:31:46 UTC 2021
Hi,
I am doing a single point calculation with a slab of palladium and a
molecule of ethanol. I have used some suggestion of the Howtos section, but
it does not converge. I have test different values of CUT_OFF and of
REL_CUT off, but nothing. Do you have some suggestions?
Thank you so much,
Jonathan
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