Dear all
If any body knows how to perform MD with NPT ensemble and what data should analyse after performing MD (knows IBRION =0, Smass= <0- NVE and 0>-NVT TEBEG, TEEND). Please suggest me how can i do.
Thanks
Faruq
Molecular dynamic of Si with NPT ensemble
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s9811016
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Molecular dynamic of Si with NPT ensemble
Last edited by s9811016 on Tue Jun 14, 2011 3:00 pm, edited 1 time in total.
Faruq
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support_vasp
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Re: Molecular dynamic of Si with NPT ensemble
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