Parrinello-Rahman MD
Posted: Fri Apr 18, 2008 12:27 am
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.
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.