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>
MD- velocities and VACF
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santana
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MD- velocities and VACF
Last edited by santana on Fri Jun 17, 2011 6:15 pm, edited 1 time in total.
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support_vasp
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Re: MD- velocities and VACF
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