[CP2K-user] [CP2K:17881] Electric Field for Molecular Dynamic Calculation

'Joseph Page' via cp2k cp2k at googlegroups.com
Mon Oct 17 12:43:16 UTC 2022


I am looking into a time-dependent electric field that affects the 
molecular dynamics of molecules. I have been using the &EFIELD section with 
the &RUN_TYPE being MD. 

Is this correct as the &EFIELD section of the documentation suggests that 
it can be used for RPT calculations (not MD)? (Basically, can I run an MD 
calc with the &EFIELD section and it be what I expect)

Thank you,
Joe

P.S. I have seen people suggest using the &PERIODIC_EFIELD section in 
similar questions, but I don't think that's what I need as I need my field 
to be Gaussian in the future.

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