[molpro-user] problem with conical intersection optimization
Luis Poveda
poveda.calvino at gmail.com
Tue Jan 5 19:40:46 GMT 2010
Dear Molpro users,
In my conical intersection optimization at CASSCF/aug-cc-pVTZ, molpro
return the error message:
GENERAL BASIS CONTRACTION NOT IMPLEMENTED IN CADPAC GRADIENTS
Please try with segmented basis set
any suggestions to solve the problem?
regards
Poveda
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