Dear Nick, Many thanks for the reply. I tried to do calculation based on the manual but it doesn't work. If I set tolerance at 0.001, I get an error. The input and output files are attached here. Could you give a look at them please?
Thank you in advance, Best regards Raha On Mon, Sep 26, 2016 at 7:52 PM, Nick Papior <nickpap...@gmail.com> wrote: > 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 >> > -- Khadijeh Khalili Nanotechnology group, Physics department, university of Mazandaran Babolsar, Iran
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