Velocity autocorrelation function from vasprun.xml
Posted: Mon Jan 12, 2015 1:27 pm
Dear Vasp Users,
I would like to obtain the velocity autocorrelation function by the MD run of a crystal. I would be thankful for any advices or scripts related to the problem.
Best,
bandri
I would like to obtain the velocity autocorrelation function by the MD run of a crystal. I would be thankful for any advices or scripts related to the problem.
Best,
bandri