[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

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,
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