[molpro-user] FREEZE does not delete some external orbitals?
weihy at hpsv.pku.edu.cn
Tue Aug 17 17:04:06 BST 2004
I want to do a MCSCF calulation, and i am confused with the FREEZE
keyword in the MCSCF calculation section of manual.
I want to delete some external orbitals, that also is the vitual
orbitals, while in my try it seems that the freeze keyword does not
delete the external orbitals, what shoud i do to delete some external
Name: HaiYan wei.
Peking Unversity, China.
Tel : 8610-62765703
email: weihy at hpsv.pku.edu.cn
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