[Pw_forum] about metal and molecular dynamics
giannozz at nest.sns.it
Mon Oct 1 22:19:42 CEST 2007
On Sep 27, 2007, at 5:09 , Wei Zhou wrote:
> thank you for your answer. but I want to know if the pw.x of QE code
> can do variable cell dynamics 'npt' using nose to control temperature.
no (or not yet)
> or the cp of QE code can do this
> .or both of them can do this .
no .AND. yes = no
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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