Solvation model SCCS convergence issues
Natalie Austin
natalie... at gmail.com
Tue Jul 25 16:17:42 UTC 2017
Hello,
I am having issues converging SCCS iterations and my SCF cycles are taking
long to converge as well, when applying the SCCS solvation model in CP2K.
I incorporated the suggesting given in this previous posting:
https://groups.google.com/forum/#!searchin/cp2k/sccs%7Csort:relevance/cp2k/8VHkm_Qi5Fo/3Je5sy8YFzsJ
but my calculations are still not converging.
Any help with this would be appreciated. My input file is attached as
au.inp.
Thanks,
Natalie
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