Hi Dear All
I wrote a lammps program related to the calculation of strain and stress for the monolayer of BN, which does not receive any error after run, but the column of output numbers is completely filled with the NUN. Please help me solve this problem.
The input file is attached.
There is not enough information here to make a specific suggestion.
Most of the time NaNs happen when there is a bad initial geometry or bad force field parameters.
What other information do you need to help me solve this problem?
Before I would be willing to take a closer look myself, you have to convince me that this is not caused by one of the two possible reasons that I already gave you.