[CP2K-user] Dipole Moment with Berry Phase method

[Hossam Elgabarty]

Dear Nt,

Do you know if it is possible not to us Berry Phase?  Or to do a conversion 
> subsequently?  Thank you for any advice.
>

Yes, check out this section of the input manual:

CP2K_INPUT <https://manual.cp2k.org/trunk/CP2K_INPUT.html> / FORCE_EVAL 
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html> / DFT 
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT.html> / EFIELD 
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/EFIELD.html>

You cannot do a "conversion" subsequently after the simulation, you have to 
run new simulations.

Regards,

Hossam
 
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