Please try siesta-4.0 instead. 2016-09-27 8:57 GMT+02:00 Raha khalili <khadije.khal...@gmail.com>:
> 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 > -- Kind regards Nick
