[CP2K-user] [CP2K:20489] RPA and MP2 electron density not printing as expected

Niamh O'Neill niamh97oneill at gmail.com
Wed Jul 24 17:51:21 UTC 2024


 

Dear CP2K developers,

I have been using the attached input files for RPA and MP2 to calculate the 
electron density (+ Mulliken and Hirshfeld charges) on my system. However, 
it seems to print the same electron density as Hartree-Fock (MP2) and PBE 
(RPA). 

Could you please advise me how to adapt the input to print the RPA and MP2 
densities.

Thank you in advance for your help.

Best wishes,

-Niamh

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