[CP2K-user] Interaction potential
Antonis Evang
antoni... at gmail.com
Tue Mar 30 20:04:44 UTC 2021
Hello everyone,
I am trying to run a Pt(111)-BP1 surface QM/MM simulation and I can't find
the interaction potential between different atoms (e.g LJ interaction
between C-Pt, O-Pt, N-Pt etc.) Does anyone have any idea where can I find
this information?
Thank you in advance!
Best regards,
Antonis
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