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#1 2018-02-27 13:17:04
- Hanros
- Member
- Registered: 2017-12-26
- Posts: 17
excited states -HEXS
Hi
I am trying to do a L edge calculation with RAS1 containing the 2p orbitals and RAS2 containing the rest. I'm trying to use the keyword HEXS, to eliminate the maximum occupation in RAS1 to allow for the computation of an core excited state, however it is not making any difference. Could someone please advise me?
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