[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?
> Paolo Giannozzi, Democritos and University of Udine, Italy
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> Pw_forum at pwscf.org
Jairo Arbey Rodríguez M.
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