Velocity autocorrelation function from vasprun.xml

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bandri
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Velocity autocorrelation function from vasprun.xml

#1 Post by bandri » 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.

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bandri
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admin
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Re: Velocity autocorrelation function from vasprun.xml

#2 Post by admin » Tue Jan 13, 2015 12:41 pm

Use p4vasp code. It is available at www.p4vasp.at
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bandri
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Posts: 15
Joined: Wed Oct 29, 2008 6:44 pm
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Location: Sniadeckich street 2, PL-75-453 Koszalin, Poland

Re: Velocity autocorrelation function from vasprun.xml

#3 Post by bandri » Tue Jan 13, 2015 1:55 pm

Dear Admin,
thank you very much.
Best,
bandri
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