From a MD calculation (positions & forces at each step), is it possible to calculate the velocity autocorrelation function? And is it then possible to compute the vibrational power spectrum?
Thanks!
VACF and vibrationa power spectrum
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jcarrasco
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VACF and vibrationa power spectrum
Last edited by jcarrasco on Tue Oct 03, 2006 7:07 pm, edited 1 time in total.
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support_vasp
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Re: VACF and vibrationa power spectrum
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