I'm wanting to look at individual exchange and correlation energy contributions to Exc. Some codes break these apart by default (such as MOLPRO), but ABINIT doesn't appear to do this.
Is there a keyword to do this in ABINIT?
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- Thu May 13, 2010 10:49 pm
- Forum: Ground state
- Topic: splitting of e_xc into e_x and e_c
- Replies: 1
- Views: 2195