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one question about molecular dynamic

Posted: Wed Feb 08, 2012 4:20 pm
by weiwei sun
hello everyone,

I have one question about how to get accurate local moment in MD.

Since we have 0k structure, we plan to use NVT first and NVE to heat it up to high T and get the local moment.

Is that possible?


thanks
best

Re: one question about molecular dynamic

Posted: Thu Sep 12, 2024 8:38 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