Wrong potential energy for grapene

Please reply to the list as well so that the chat is documented for future people.

There is no physics sub-group here but people who may help at times but they don’t tend to debug input files unless you show there is a bug in lammps. Hardly anyone will try to figure out why your numbers are not the ones you expect. The code is running just fine, so why be bothered with your input? I am sure the lammps archives have graphene input files with configs and potentials that you can use to compare your numbers. Everyone seems to be studying graphene these days.

Good luck with getting a more specific response that mine.


Yeah, Thank you for reply sir.