[CP2K-user] [CP2K:19482] Chargemol wfx file

['Logan Ritter' via cp2k]

Hi all,

Does anyone have experience printing the .wfx file for use in Chargemol for 
periodic systems? I've noticed the code states OT is incompatible with the 
.wfx output. Are other diagonalization methods appropriate/efficient in 
general? Any insights would be appreciated.

Best regards,
Logan

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