[CP2K-user] PDOS Output from Tiziano script
Dev Rana
dev.... at gmail.com
Fri Sep 4 16:27:28 UTC 2020
Hello,
I'm trying to use Tiziano's PDOS script from the example
here: https://www.cp2k.org/exercises:2017_uzh_cmest:pdos?s[]=band. Using
the other scripts in this example seem to work fine giving convoluted PDOS.
However, Tiziano's script only seems to convert to eV, but keeps everything
in individual MOs.
Is there a proper way of using these files?
Best Regards,
Dev
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