Have you tried to run a NSCF (this calculations uses the restart wavefunction you made previously with the SCF) calculation with the K-point you want to plot?
Usually this is the method I use to plot charge density. Run SCF with a M.H. grid good enough to ensure that my result is reliable. Run a NSCF with specific K-points I want to plot the charge density. (Since Monkhorst grid does not always include the k-points I want to analyze) I hope it will help you Regards, Filipe On Thu, Apr 10, 2014 at 9:19 AM, Juan J. Mel?ndez <melendez at unex.es> wrote: > Dear all: > > I want to get the charge density for a defective supercell, and it seems > to me that pp.x does not implement any ?gamma-only? tricks. Is this right? > If so, is there any way to overcome this (without recalculating, of course)? > > Thanks in advance > > Juanjo > > Juan J. Mel?ndez > Associate Professor > Department of Physics ? University of Extremadura > Avda. de Elvas, s/n 06006 Badajoz (Spain) > Phone: +34 924 28 96 55 > Fax: +34 924 28 96 51 > Email: melendez at unex.es > Web: http://materiales.unex.es/miembros/personal/jj-melendez/Index.html > > > ------------------------------ > <http://www.avast.com/> > > Este mensaje no contiene virus ni malware porque la protecci?n de avast! > Antivirus <http://www.avast.com/> est? activa. > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- _________________________________________ Filipe Camargo Dalmatti Alves Lima PhD Student University of S?o Paulo, Physics Institute, Materials Physics Department, Nanomol Group, Brazil. Phones: (11) 3091-6881 (USP) (11) 97408-2755 (Vivo) -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140410/6a5c4fca/attachment.html
