[Wien] Orbital angular momentum band character

Yundi Quan yquan at ucdavis.edu
Mon Sep 4 17:21:52 CEST 2017


Hi,

When calculating DOS, change QSPLIT in case.inq to 1, i.e. DOS in |l, m>
basis. And run "x qtl" instead of "x lapw2 -qtl" to obtain DOS in (l,m)
basis.

For reference, see page 157 of userguide.

Hope this helps.


On Mon, Sep 4, 2017 at 7:32 AM, <pluto at physics.ucdavis.edu> wrote:

> Dear WIEN2k experts,
>
> Is there an easy way to plot orbital angular momentum character of the
> bands? Here I mean for example px+ipy and px-ipy, and similar for d and f
> levels.
>
> Best,
> Lukasz
>
>
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