[CP2K-user] can I get orbital symmetry from cp2k?

Jason Eu mort... at gmail.com
Mon Apr 27 14:17:57 UTC 2020

Dear all,

I am new in cp2k. I want to get the molecular orbital information from 
running cp2k. By following the tutorial molecular orbitals of ethene[1] I 
can visualize the orbitals. 
Now I want know the symmetry of each orbital (like following info of CH2O 
which is C2v ):
 Orbital symmetries:
       Occupied  (A1) (A1) (A1) (A1) (B2) (A1) (B1) (B2)
       Virtual   (B1) (A1) (B2) (A1)
Is there a way to print it out? or I have to manually recognize it from 


[1] https://www.cp2k.org/exercises:2014_ethz_mmm:mo_ethene

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