[CP2K-user] molecular orbital in Ehrenfest dynamics / real time propagation

Kamal Chinnathambi kamal.ch... at gmail.com
Mon Jan 27 14:42:58 UTC 2020


Dear cp2k developers and community,

Is it possible to print Molecular Orbitals during Ehrenfest dynamics / real 
time propagation ?

Thanks a lot.

with regards
Kamal 
Department of Physics, Stockholm University.
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