Re: [Wien] Plotting charge density for CBM and VBM

Hi, With the option -all X Y for lapw2 (see user's guide) you can generate the charge density of only the electrons whose eigenvalues are in the range [X,Y] Rydberg (chosen for either the VBM or the CBM). This generates case.clmval that can be plotted with lapw5. F. Tran On Thu, 30 Jul 2015,

Re: [Wien] How to set the occupation number in Wien2k?

Dear Prof. Blaha and all, I don't know the format of the dmat file, would you please explain it? following is the context of a dmatup file. Thank you in advance! - 13 atom density

[Wien] Plotting charge density for CBM and VBM

Dear users and developers, I want to plot the charge density at the VBM and CBM (both occur at different symmetry points in the Brillouin zone) of my indirect band gap semiconductor. How do I do that? -- Dileep Krishnan, Int. Ph. D Student, International Centre for Materials Science (ICMS),