[molpro-user] Error in geometry optimization with dummy centers using DF-HF
Meitei, Oinam
oinam.meitei at fau.de
Tue Nov 22 11:59:10 CET 2016
Dear All,
Molpro returns an error message when i try geometry optimization in presence of dummy atoms using DF-HF,
?ERROR IN WRITE_DUMP: ZNCEN INCORRECT:
Any comments/suggestions/advice would be highly appreciated.
Best regards,
Oinam
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