[CP2K-user] [CP2K:18519] PDOS for different elements

HUAN BI hbi.trans.sci at gmail.com
Mon Mar 6 18:52:52 UTC 2023

Dear CP2K users and developers, 
  How can CP2K output the density of states of all atoms? I can't define 
different atom labels in the xx.inp file, and I can't print out the density 
of states of different atoms.
 Can you tell me how to do.
  In addition, how do I convert the optimized file (.xyz or .restart) into 
a .cif file
 Thanks in advance

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