Dear LAMMPS users,
I am new to LAMMPS and want to calculate thermal conductivity of a carbon nanotube ,should I run first NVT calculation for a temperature range T1 to T2? I used a zigzag cabon nanotube as my system and complete NVE calculation using Noose-Hover thermostat but when I am trying to restart it for NVT calculation using the dump file of NVE calculation it not working. I have an error “ERROR: Invalid LAMMPS restart file (restart.cpp:1020)” Here I am attaching my input script files for both cases as well as data file which I have used. Please let me know a way to do the same. Also, inputs on any error in the input file can be suggested. Any help would highly appreciate.
Thanks in advance.