[Pw_forum] Getting Exchange and Correlation Energies Separately

Paolo Giannozzi paolo.giannozzi at uniud.it
Tue May 27 22:40:11 CEST 2014


It is not simple: you have to modify the code

P.

On Tue, 2014-05-27 at 15:41 -0400, Kayahan Saritas wrote:
> Hello PWSCF Users,
> 
> How can I get exchange and correlation energies separately in any calculation at the end, rather than just getting total XC contribution?
> 
> Thanks,
> Kayahan 
> 
> --
> Saritas Kayahan
> Research Assistant
> Grossman Group
> Office: 13-4069
> Tel: +1-617-258-8741
> Email: kayahan at mit.edu
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum





More information about the users mailing list