[DFTB-Plus-User] SCC is NOT converged, maximal SCC iterations exceeded

Bálint Aradi aradi at uni-bremen.de
Tue Dec 15 08:14:18 CET 2015


Dear Muhammad,

can it be that your system is metallic? In that case, you would need a
finit electronic temperature (see keyword Filling).

  Best regards,

  Bálint
-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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