[CP2K-user] [CP2K:21616] QM/MM calculation with Ca surface
Siva Bharadwaj V
sivanitw99 at gmail.com
Fri Jul 4 12:45:09 UTC 2025
Hello everyone
I am trying to run a QM/MM calculation with cp2k I have made input file and
I have prepared a potential file from the available lammps eam potential
file but I am getting the error "CPASSERT failed" while running cp2k I am
attaching the input file and the other required fioles for your reference
any help in this matter is very much valuble
Thanks in advance.
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