On Feb 14, 2007, at 18:48 , Nichols A. Romero wrote: > If one were to use CP across such a large number of processors, > what algorithm is your best bet for minimizing your electronic d.o.f., > sd or cg
steepest descent is very inefficient and should be used only for the initial steps of a simulation or in desperate cases. The "standard" way of minimizing electronic degrees of freedom in CP is damped dynamics Paolo --- Paolo Giannozzi, Democritos and University of Udine, Italy
