[Wien] finding density of states for individual bands

Lee, Yongbin [A LAB] yblee at iastate.edu
Sun Oct 11 07:58:07 CEST 2020


I guess you can do it with "joint".
Check *.injoint which is at page 170 in UG.

Yongbin

________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Joseph Ross <jhross at tamu.edu>
Sent: Saturday, October 10, 2020 4:40 PM
To: wien at zeus.theochem.tuwien.ac.at <wien at zeus.theochem.tuwien.ac.at>
Subject: [Wien] finding density of states for individual bands

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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