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- Thu Aug 23, 2012 1:22 am
- Forum: Response calculations
- Topic: occupancies used for Optic calculations
- Replies: 1
- Views: 2662
occupancies used for Optic calculations
Dear Abinit crew, I have been performing Optic calculations on hot molecular systems, and I have found that the thermalized electronic occupancies are not carried through to the spectrum calculation. This may be closely related to Guangfu Luo's post: viewtopic.php?f=10&t=1262. I found that the o...