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
