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#1 2016-12-09 11:29:29
- sebastian
- Member
- Registered: 2016-12-09
- Posts: 1
State-averaging over states with different symmetry
Hello,
I am using Molcas 8.0 and I am wondering if it is currently possible to use state-averaging in RASSCF-calculations over states with different symmetry.
Thank you in advance!
Last edited by sebastian (2016-12-09 11:30:08)
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#2 2016-12-09 17:03:07
- Ignacio
- Administrator
- From: Uppsala
- Registered: 2015-11-03
- Posts: 1,203
Re: State-averaging over states with different symmetry
I'm afraid it's not possible (I'd be happy to be corrected).
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