[Wien] orbital occupancy

[Oleg Rubel]

Please check
x lapw2 -qtl
This can help to identify the band character (s, p, ...) as well as which
atom it belongs to.

Oleg
On Feb 20, 2014 9:04 AM, "ali ghafari" <aaghafari at yahoo.com> wrote:

> Dear Prof.Blaha and users
> I have found out that the number of occupied band can be find in
> case.scf2. while I would like to find out orbital occupancy of each atom in
> the structure at the end of SCF.  For instance, Cu is 3d9 4s0 or 3d7 4s2.
> I'm using Wien2k_13.1 but I couldn't find such an information in the
> output files.
> I really appreciate any suggestion.
> Best Regards
> Ali
>
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