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, Dileep Krishnan wrote:
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), Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur, Bangalore-560064, INDIA. _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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