[CP2K-user] [CP2K:21608] Regarding the .pot file in the QM/MM

Siva Bharadwaj V sivanitw99 at gmail.com
Thu Jul 3 10:15:56 UTC 2025


Hello everyone, I am trying to run a cp2k QM/MM calculation of molecular 
dynamics with the Calcium surface treated with MM and the salt with QM. For 
the Calcium surface the potential I am using is eam potential and the MM 
section is unable to read the format as it is in lammps format so could 
anyone help me in converting the .eam file into .pot file. Any help would 
be appreciated. I am attaching my input and my eam file here 
Thanks in advance

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