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You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".#1 2022-07-27 12:54:25
- vkj
- Member
- Registered: 2019-04-10
- Posts: 29
Freezing CI vectors in CASSCF calculation from input JOBIPH
Dear all,
Is it possible to freeze the CI vectors from an input JOBIPH in the CASSCF computtaion and only relax the orbitals. I know that CIONLY feezes orbs and optimize the CI vectors, and was wondering if the opposite is possible.
VKJ
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#2 2022-07-28 08:06:53
- chipmunk
- Member
- Registered: 2015-11-12
- Posts: 23
Re: Freezing CI vectors in CASSCF calculation from input JOBIPH
Why don't you try a small calculation and check it yourself.
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