[DFTB-Plus-User] Question about dptools
Bálint Aradi
aradi at uni-bremen.de
Mon Jun 12 14:55:11 CEST 2023
Dear Mehrdad,
do you use the most recent version of dptools and dftb+? If yes, please
make a bug report on GitHub:
https://github.com/dftbplus/dftbplus/issues
Also, please note, that there is no support team for dftb+. We answer
user questions on an absolutely voluntarily basis by sparing some of our
research time for helping others with their dftb+ related problems. ;-)
Best regards,
Bálint
On 08.06.23 01:17, mehrdad shiri via DFTB-Plus-User wrote:
> Dear support team
> When I am using the dp_bands command from dp_tools module it always
> gives an error of " nkpt = len(eigvalarrays) / nspin ZeroDivisionError:
> integer division or modulo by zero"
>
> It seems that the parameters are not being extracted correctly from
> band.out file. how can I fix this issue?
>
> Best
>
> Mehrdad
>
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--
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/
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