[DFTB-Plus-User] Where could I get the script "band2dat"?
Bálint Aradi
balint.aradi at bccms.uni-bremen.de
Mon Oct 10 17:39:44 CEST 2011
Dear Tokoyama,
>
> This line was written:
>> You can again use the script band2dat to extract the data from it, which can be then directly plotted by some data visualisation tool (like xmgrace):
>> band2dat band.out bandstruct.dat
where did you find it? I hoped to have eliminated the references to the
old tool. You can use the package dptools
http://www.dftb-plus.info/tools/dptools/
and the script dp_bands in it. See
dp_bands -h
for some help. Also, you can find a detailed example in DFTB+ recipes
http://www.dftb-plus.info/documentation/
for calculating DOS, PDOS and band structures.
Best regards,
Bálint
--
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi
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