[Pw_forum] Can the cp code do MD calculations in NPT ensemble for metals?

Yansun Yao yay451 at mail.usask.ca
Fri Jan 30 23:42:34 CET 2009


Dear Quantum-EPSRESSO developers,

   I guess what I would like to ask is in the title of my post.  I found a hint
that there were some work been done, from the information that Prof. Marzari
left before,

http://www.democritos.it/pipermail/pw_forum/2007-September/007296.html

   Would anybody be so nice letting me know whether this implementaion is
finished ?   Thank you in advance !

   With my best regards,

Yansun

Yansun Yao
Steacie Insititue of Molecular Science
National Research Council of Canada





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