i have a question regarding optimisation if i optimise a large system(no of atoms more ) is optimised for 4*4*4 grid kpoints can its optimised lattice parameter and internal coordinates valid for dense grid of kpoints
if not shall i start with dense kpoints but it will requird more time how it can be tacklled bhabya reserch scholar -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120203/e63e21a6/attachment.htm
