[CP2K-user] Does cp2k support non-adiabatic vectors calculation?

Jason Eu mort... at gmail.com
Thu Apr 2 16:26:39 UTC 2020


Dear all, 

I need the information of vibronic coupling (non-adiabatic coupling) 
vectors and strength for my quantum dynamic calculation. 
Does cp2k able to calculate this calculation? If the method is not 
implemented in cp2k, does it easy to implement it in the code?
I find the algorithm from https://manual.q-chem.com/5.2/Ch10.S6.SS1.html .

Best,
Jason
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