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 DOS.py. 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 DOS.py dump.lammps 300
Q. What are the output files generated by DOS.py?
A. DOS.py 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