[CP2K-user] [CP2K:18866] Mulliken population analysis for excited state

Simil Thomas similt at gmail.com
Tue May 30 12:00:59 UTC 2023

Dear all, 
Would it be possible to get excited state Mulliken population analysis in 
I could print it for my ground state and excited state jobs while Mulliken 
population is found to be nearly same for ground and excited state (where I 
was expecting a charge transfer looking at valence band and conduction band 
pdos; valence band is localized on one fragment and conduction band on 
another fragment in a Metal–organic frameworks). 
The keyword I used is 

           GEO_OPT 1
          &END EACH
      &END PRINT

with regards

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