[Pw_forum] md simulation

bhabya sahoo bdslipun at gmail.com
Wed Dec 14 18:56:52 CET 2011


i am a new user of quantum espresso
i want to the cp molecular dyanamics to study some materials
having solid to liquid transition  but i donot know  how to represent
supercell of any structure
and how to calculate the T/P graph for a liquid system


is there any reference available
to know more about  the simulation and making supercell for different
systems





Bd SAHOO
BARC
MUMBAI
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