[Wannier] Format of UNK files

[Hung Pham]

Hi,

Indeed, the number of bands in UNK file depends on the 'exclude_bands'.
I wrote a python function to read the UNK files generated by VASP. It is a
part of my MCU code to analyze VASP output and so.
But if you are only interested in the UNK file reader then it can be
accessed here:
https://github.com/hungpham2017/mcu/blob/master/mcu/vasp/utils.py#L108

Hung


On Tue, Jul 2, 2019 at 6:11 PM Robert Peyton Cline <
Robert.Cline at colorado.edu> wrote:

> Dear Wannier developers,
>
> I have a basic question about the format of the UNK* files that I can't
> uncover in the source code.  Are the UNK* files written differently
> depending on whether the 'exclude_bands' tag is set in the wannier90.win
> file?  It would make sense to me if they were, considering the other files
> (*amn, *mmn, and *eig) are written without the bands declared by
> 'exclude_bands', but I just find get a clear answer anywhere and I can't
> check the files themselves since they are written in binary.
>
> Many thanks,
> Peyton Cline
> 5th year PhD student
> Eaves Group
> CU-Boulder
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>


-- 

Hung Q. Pham
Gagliardi Group
Office: Smith 101
Email: phamx494 at umn.edu

Department of Chemistry
University of Minnesota - Twin Cities, Minneapolis, MN 55455
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