[CP2K-user] PDOS - plotting

Fabian Ducry fabia... at gmail.com
Fri May 29 13:27:21 UTC 2020


Yes, it is certainly possible to calculate the PDOS for any number of 
atoms. I guess that you have a mistake in your input geometry and/or the 
SCF did not converge. But without your input files that's impossible to 

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