On Tue, 2014-03-04 at 10:59 +0530, himanshu at iopb.res.in wrote: > I am looking for total energy value at particular k-point.
there is no such thing as "the total energy value at particular k-point" P. > In the output file of SCF calculation, total > energy and its different contribution is mentioned . Can > I get similar information for particular k-point . > > Thanks for benign help in advance. > Regards > Himanshu > I.O.P > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
