[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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