On Jan 6, 2007, at 23:49 , Alexander Shaposhnikov wrote: > By the way, i have found that diago_david_ndim=2 gives better > times and also saves alot of memory comparing with default =4.
it saves a lot of memory by reducing the workspace where auxiliary vectors (H-e)psi are stored during the diagonalization. This typically leads to a slight increase in execution times, because each time the workspace is filled one has to recalculate a new estimate of the eigenvectors. Maybe in your case the advantage of a reduced memory footprint more than compensate the cost of such operation (which has to be done anyway when the diagonalization is converged). Paolo --- Paolo Giannozzi, Democritos and University of Udine, Italy
