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
one question about molecular dynamic
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weiwei sun
one question about molecular dynamic
Last edited by weiwei sun on Wed Feb 08, 2012 4:20 pm, edited 1 time in total.
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support_vasp
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Re: one question about molecular dynamic
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