On Mon, 2010-11-08 at 05:10 +0100, Aulia Hutama wrote: > Dear SIESTA users, > I want to optimize the geometry, what variable should I use, here I > attach my fdf file, please anyone correct it, Thanks
Seems ok. You can also use CG as the MD.TypeOfRun Groeten - Regards - Pozdrowienia, Bartek
