Dear Collegue,
Could you share your experiences/ solutions how to calculate the pressure in an MD run? At finite temperatures the derivative of the total energy, does not give the pressure. What should we do?
Thank you in advance,
Jozsef
Could you help on calculating pressure in MD simulation?
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jhegedus
Could you help on calculating pressure in MD simulation?
Last edited by jhegedus on Tue Mar 20, 2007 11:35 am, edited 1 time in total.
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support_vasp
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Re: Could you help on calculating pressure in MD simulation?
Hi,
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