[CP2K-user] PDOS Output from Tiziano script

Dev Rana dev.... at gmail.com
Fri Sep 4 16:27:28 UTC 2020


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,
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