[lammps-users] CdTe Stillinger Weber Potential


I am a student at Cornell University. I am trying to use the SW potential
to model the CdTe lattice using the CdTe.sw file in LAMMPS. I have created
the lattice using the experimental value of lattice constant and basis
vectors. I want to thermalize the lattice using an NVT ensemble at 300K. I
have used the fix nvt command, but when I run the simulation the
temperature of the lattice jumps to around 2500K and the atoms do not stay
around the lattice points. The whole lattice loses its structure, in fact,
the lattice melts. I cannot achieve a stable lattice at 300K. Any help
would be greatly appreciated.

Thank you,

Please post your input script.