[CP2K-user] [CP2K:19228] Generating a V_HARTREE_CUBE file in post processing

'SUBHASISH MALLICK' via cp2k cp2k at googlegroups.com
Thu Sep 7 13:30:07 UTC 2023

Dear CP2K users,

I hope this message finds you well.

I  have a question regarding the generation of a* V_HARTREE_CUBE* file. 
Specifically, I'm wondering if there's a way to generate this file after 
the AIMD simulation has been completed, either by reading the output 
information or utilizing the *REFTRAJ *module.

Alternatively, would it be necessary to initiate a new simulation with the 
V_HARTREE_CUBE option enabled in the print section to obtain this file?

I greatly appreciate your assistance and insights on this matter.

Warm regards,

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