Problem about casscf optimization
bingwuwang at vip.sina.com
Wed May 1 06:33:45 BST 2002
Dear MOLPRO users,
I want to run a casscf optimization using cc-pvtz basis set, but it got the error message:
GENERAL BASIS CONTRACTION NOT IMPLEMENTED IN CADPAC GRADIENTS
Please try with segmented basis set
CURRENT STACK: MAIN
In the MOLPRO mannual, when using he general basis contraction, the ALASKA gradient program is the default. I add "GRADTYP=ALASKA" before the optg, it was still wrong.
Did anybody experience this kind of problem or dissolve this error? Thanks.
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