[Pw_forum] Is there a large difference between vc-relax calculation using "damp", "damp-w" and "bfgs", "bfgs" algorithm
Paolo Giannozzi
giannozz at democritos.it
Sat Dec 5 21:35:45 CET 2009
On Saturday 05 December 2009 04:37, mohnish pandey wrote:
> \Can anybody please explain me what is the thing which is
> making so much differnce?
damped dynamics is very robust but its performance relies
upon a good choice of the time step and of the damping (if
available). anyway, if bfgs works well, why bother?
P.
--
Paolo Giannozzi, Democritos and Udine University
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