[lammps-users] "nan" during run

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1

Dear Steve

I was trying to run a 2-d sheet of graphene structure. but during run i got “nan” in E_pair Total_Energy and Pressure column. I am reading input data file and using tersoff potential for this problem.
where exactly I am doing wrong? is something wrong with potential or something else?
Kindly help me out.

thanx & warm regards

Vijay Kumar Sutrakar

2

There are lots of problems that can generate a Nan. I suggest
you turn on thermo output every step and find if things are blowing
up, or the 1st timestep on which the error occurs. Then you will
have to look at atom coords in your simulation and see why that
atom configuration is causing problems.

Steve