Hello Everyone,
I want to perform a few calculations involving molecular dynamics of small metal clusters. I have observed that from the beginning itself the cluster starts rotating thereby giving large errors in several parameters. Can anyone please suggest how to remove this rotation from vasp.4.6?
Calculation for MD of small cluster
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himadri.de
Calculation for MD of small cluster
Last edited by himadri.de on Tue Jul 05, 2011 2:12 pm, edited 1 time in total.
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support_vasp
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Re: Calculation for MD of small cluster
Hi,
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