is Parrinello-Rahman method of Molecular Dynamics implemented in VASP?
If yes How do I implement it and please provide details.
Is it possible to use nose thermostat for temperature control along with it also how can I avoid using the temperature control?
If not which code is capable of doing it please suggest.
Parrinello-Rahman MD
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TAT
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Parrinello-Rahman MD
Last edited by TAT on Fri Apr 18, 2008 12:27 am, edited 1 time in total.
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Parrinello-Rahman MD
Parinello-Rahman MD is not implemented in VASP, VASP strictly keeps the volume and the cell shape constant during MD runs
Last edited by admin on Thu Apr 24, 2008 9:23 am, edited 1 time in total.