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MD- velocities and VACF

Posted: Fri Jun 17, 2011 6:15 pm
by santana
How can the velocities be printed every MD-step or N MD-steps, to later evaluate the VACF and frequencies?
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I found a 2007 post with the same question:

The recomendation was to use this script.

http://theory.cm.utexas.edu/vtsttools/d ... at2vdat.pl

However, I cannot get it from that link and it is not included in the vtstscripts from UTexas' people.






<span class='smallblacktext'>[ Edited ]</span>

Re: MD- velocities and VACF

Posted: Thu Sep 12, 2024 8:18 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP