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
