[Pw_forum] Constraints HOWTO

Paolo Giannozzi giannozz at democritos.it
Wed Nov 18 11:35:08 CET 2009

Jairo Arbey Rodriguez Martinez wrote:

> I have used both: car-parrinello md (damped, with program cp.x)

this should work, I think

>  and in pw.x, ion_dynamics = bfgs (default)

this is not implemented, I think. I know nothing about constraints,
but you should as a first step find cases in which the existing
constraint work, before adding new ones

Paolo Giannozzi, Democritos and University of Udine, Italy

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