Dear Users, I am trying to find thermal conductivity of hBN zigzag nano ribbon (10 nm X 3 nm) at 300K. First I minimized system energy with steepest descent method, then applied fix nvt and finally fix nve command. I used BNC.tersoff potential from “Examples” directory of LAMMPS. However, in the nvt stage, pressure became negative. As i checked the dump file, most of the bonds of…

Hello, I am using LAMMPS version April 2021 to perform laser ablation simulation. I tried using ‘fix ttm/mod’ for this purpose and it works for small grid. But when I tried running it for larger grid the simulation becomes very slow. As per the LAMMPS documentation, the latest version has the ‘fix ttm/grid’ option which is to be used instead of ‘fix ttm’ for large grids. But ttm/…