[Pw_forum] Constraints HOWTO

Jairo Arbey Rodriguez Martinez jarodriguezm at bt.unal.edu.co
Tue Nov 17 17:53:30 CET 2009


I have used both: car-parrinello md (damped, with program cp.x ) and
in pw.x, ion_dynamics = bfgs (default)


2009/11/17 Paolo Giannozzi <giannozz at democritos.it>:
> Jairo Arbey Rodriguez Martinez wrote:
>
>> After that, nothing is mentioned in the output about the constraint.
>
> constraints are implemented only in some types of MD and damped MD:
> is that what you did?
>
> P.
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
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-- 
Jairo Arbey Rodríguez M.



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