[Wien] Plotting charge density for CBM and VBM

[tran at theochem.tuwien.ac.at]

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.
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