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

[Simil Thomas]

Dear all, 
Would it be possible to get excited state Mulliken population analysis in 
cp2k? 
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 

&FORCE_EVAL
.........
      &PRINT
        &MULLIKEN
          &EACH
           GEO_OPT 1
          &END EACH
        &END MULLIKEN
      &END PRINT

with regards
Simil

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/41abef37-3e3d-44c6-a12f-21341f6c7d62n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230530/5ddc677d/attachment.htm>