[CP2K-user] [CP2K:12201] PM6 in QM QM possible?

B Goldf jogogo... at gmail.com
Sat Sep 21 13:08:27 UTC 2019


Dear Thomas
dear all,

is it possible to run
QM / "QM" 
eg. DFT/SE like PBE / PM6  
via FORCE_MIXING
in cp2k,rather than QM/"MM"?

Best regards
Bernd


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