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Calculation for MD of small cluster

Posted: Tue Jul 05, 2011 2:12 pm
by himadri.de
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?

Re: Calculation for MD of small cluster

Posted: Wed Sep 11, 2024 2:41 pm
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