On Mon, 2013-12-09 at 11:18 -0600, Partha Pal wrote > I tried using "verbosity="high"" but it gives me results that I am > unable to interpret [....] > because they seem to be the same as "wk" (which I assume is the > weighting factors) from the input k-points.
in the version of the code you are using, what is printed is the product of "wk" (weighting factors) with the occupation number, ranging from 0 to 1. If you get either "wk" or 0, this means that your states are either fully occupied or empty. More recent versions of the code just print the occupation number, unless wk=0. > bandstruct.out gives all populations to be zero. > > I am attaching SOME PARTS of both the output files and I will be happy > to read any document which might have the answer I am looking for. > > > Thanks, > > > Partha > > > > > > Partha Pratim Pal > > Postdoctoral Research Scholar > > Seideman Group > > Department of Chemistry > > Northwestern University > > Evanston, IL 60208 > > USA > > > > > > On Wed, Dec 4, 2013 at 1:39 AM, Paolo Giannozzi > <paolo.giannozzi at uniud.it> wrote: > On Tue, 2013-12-03 at 15:56 -0600, Partha Pal wrote: > > > Is there a way I can get the band population in an output > file ? > > > I think that if option verbosity='high' the code prints band > populations > > P. > > -- > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > 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
