[Pw_forum] Constraints HOWTO

[Paolo Giannozzi]

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

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy