Yes. It should be an integer number corresponding to a band (Kohn-Sham state) in which you are interested. ---------------------------------------------------- Duy Le Postdoctoral Associate Department of Physics University of Central Florida. Website: http://www.physics.ucf.edu/~dle
On Wed, Jun 27, 2012 at 1:41 PM, Gulcin Tetiker <gkucukdalyan at gmail.com>wrote: > Hi Duy, > > Thank you for your response. It helped me a lot. I prepared the input file > but getting error in the code. I believe the kband value is not correct. I > am writing > kband= band near fermi level. I think i should write it with numbers. What > is the appropriate value for the kband? Thanks > > Sent from my iPhone > > On Jun 25, 2012, at 3:21 PM, Duy Le <ttduyle at gmail.com> wrote: > > > Hi Gulcin, > > > > For each Kohn-Sham state? Have you ever read the input description of > PP.x? > > http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PP.html > > You just need to use appropriate plot_num and corresponding options. > > > > -D > > ---------------------------------------------------- > > Duy Le > > Postdoctoral Associate > > Department of Physics > > University of Central Florida. > > Website: http://www.physics.ucf.edu/~dle > > > > > > On Mon, Jun 25, 2012 at 3:12 PM, Gulcin Tetiker <gkucukdalyan at gmail.com> > wrote: > >> Hi All, > >> > >> I need to calculate the charge density of each state ,not the total > charge,and make a 2 and 3D plot of it. > >> > >> I could not figure out how to do so. Can someone please help me with > this? > >> > >> Thanks, > >> > >> Gulcin > >> > >> > >> _______________________________________________ > >> Pw_forum mailing list > >> Pw_forum at pwscf.org > >> http://www.democritos.it/mailman/listinfo/pw_forum > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120627/fe6cb6e8/attachment.htm