[lammps-users] graphene

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1

Hello
I am working with a single layered graphene sheet with around 300 carbon atoms in it. I am using AIREBO potential.
But the problem is, right after NVE step the system collapses.
What could be the reason? Please help

Regards
APC
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2

Hello
I am working with a single layered graphene sheet with around 300 carbon atoms in it. I am using AIREBO potential.
But the problem is, right after NVE step the system collapses.
What could be the reason? Please help

your input is obviously incorrect.

a.

3

Is your system periodic?

4

Hello
I have tried this with both periodic and non-periodic bcs, but could not stop the system from collapsing.

Regards
APC