LAMMPS Plugins for Thermal Conductivity: FAQ

Q. How can we calculate PDOS,DOS and Specific heat?
A. you need to run the python program called It requires two input paramters : name of the LAMMPS dump file which contains velocity information and temperature at which you want to conpute specific heat. A command like this will work
python dump.lammps 300

Q. What are the output files generated by
A. generates png images for velocity autocorrelation,partial density of states and total density of states

Published on September 8th, 2017

Last updated on July 31st, 2023