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Velocity autocorrelation function from vasprun.xml

Posted: Mon Jan 12, 2015 1:27 pm
by bandri
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

Re: Velocity autocorrelation function from vasprun.xml

Posted: Tue Jan 13, 2015 12:41 pm
by admin
Use p4vasp code. It is available at www.p4vasp.at

Re: Velocity autocorrelation function from vasprun.xml

Posted: Tue Jan 13, 2015 1:55 pm
by bandri
Dear Admin,
thank you very much.
Best,
bandri