lammps-users:
I constructed a simulation system which contains 277696 atoms, the output after calculation is nan except volume and the first few lines of temperature.I don’t know what’s wrong.How can I have an accurate output?
Eagerly waiting for your reply!
Sincerely your
Susie Chen
If pressure or energy is NAN it probably means your initial
geometry is bogus, with highly overlapped atoms.
Steve