[Wien] finding density of states for individual bands

[Lee, Yongbin [A LAB]]

just DOS of each individual band, i think.

yongbin
________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Karel Vyborny <vybornyk at fzu.cz>
Sent: Sunday, October 11, 2020 11:07 PM
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] finding density of states for individual bands

Orbital-projected DOS? (hole-like and electron-like bands will most
likely stem from different orbitals)  Or is it something else that's in
question...

Karel


--- x ---
dr. Karel Vyborny
Fyzikalni ustav AV CR, v.v.i.
Cukrovarnicka 10
Praha 6, CZ-16253
tel: +420220318459
web: https://www.spintronics.fzu.cz
      http://unix12.fzu.cz/~vybornyk


On Sat, 10 Oct 2020, Joseph Ross wrote:

> We have a semimetallic system which has an indirect overlap of some rather convoluted bands at Ef. In order to better understand the holes vs. electrons in this system we would like to find the density of states (and partial densities if possible) associated with individual bands, rather than the total. From my understanding & reading through the users guide, I think this is not a feature included in wien2k. However if we are overlooking something, or if there is a separate package that we could use to extract this type of information, we would be interested to know. Any suggestions on this are welcome.
> -Joe Ross
> -------------------------
> Joseph H. Ross Jr.
> Professor
> Department of Physics and Astronomy
> Texas A&M University
> 4242 TAMU
> College Station TX  77843-4242
> 979 845 3842 / 448 MPHY
> jhross at tamu.edu / http://faculty.physics.tamu.edu/ross
> -------------------------
>
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