[Wien] finding density of states for individual bands

[Pavel Ondračka]

The problematic part is that while joint claims it can give you a DOS
for just one band (with the switch 2), this is actually not a DOS of a
single band but of a single band index. This will be the same thing
only if there is no band crossing (the difference will be obvious if
you do energy band structure plot with x spaghetti with and without
running x irrep before).

Best regards
Pavel

On Sun, 2020-10-11 at 05:58 +0000, Lee, Yongbin [A LAB] wrote:
> 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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