Yes, you can use non colinear spin configuration. Please see the manual for instructions. Please note that the SpinPolarized flag refers to colinear spin configuration.
-- Kind regards Nick Papior On 26 Sep 2016 17:52, "Raha khalili" <khadije.khal...@gmail.com> wrote: > Dear all, > > I want to do a Noncollinear SpinPolarized calculation for my structure > using Siesta but I am wondering whether it is possible to do such > calclulations using siesta or not. If yes, could you give me please an > example or reference paper? > > I have also one queation about the block of DM.InitSpin. As I undrestood > I can tune spin direction using two angles of phi and teta. But when I set > SpinPolarized equel T and change angles, for instance for bulk Fe, the > total energy and density of states are similar. > > Any help will be really appreciated. > > Best regards, > Raha > > -- > Khadijeh Khalili > Nanotechnology group, Physics department, university of Mazandaran > Babolsar, Iran >
