[CP2K-user] [CP2K:20638] cannot use multiple Potential files
Cheng
pengc10 at gmail.com
Sat Aug 31 12:33:38 UTC 2024
Dear all,
I am currently working with CP2K v2024.2 and would like to use different
potential files for different elements. In the &DFT& section of my input
file, I tried adding two potential file names as follows:
POTENTIAL_FILE_NAME GTH_POTENTIALS
POTENTIAL_FILE_NAME LnPP1_POTENTIALS
However, I encountered the following error: "Keyword POTENTIAL_FILE_NAME in
section DFT should not repeat."
I would greatly appreciate any advice or suggestions on how to resolve this
issue.
Thank you in advance for your help.
Best regards,
Cheng
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