Well, you could read in the DM and overlap matrix in sisl and manually calculate the spin-polarization.
Otherwise you have to recalculate with this option XML.Write. But why don't just use: *spin moment: S , {S} = 2.00000 0.0 0.0 2.00000* ? Den fre. 9. aug. 2019 kl. 22.01 skrev I. Camps <ica...@gmail.com>: > Thanks Nick. > > Unfortunately, the only xml output that I have is related to the ion files > :(. > > Should I have to re-calculate? > > []'s, > > Camps > > > On Thu, Aug 8, 2019 at 5:00 PM Nick Papior <nickpap...@gmail.com> wrote: > >> If you also store the xml output you can get the spin polarization >> information there, key=siesta:stot and key=siesta:svec (only for >> non-colinear). >> >> Den tir. 6. aug. 2019 kl. 22.00 skrev I. Camps <ica...@gmail.com>: >> >>> Dear SIESTers, >>> >>> In previous versions of SIESTA (aka 3.1), when running a spin polarized >>> calculation, I got in the output the following information: >>> >>> *siesta: Total spin polarization (Qup-Qdown) = 0.435246 * >>> >>> Now, running in SIESTA v4.1-b4, I just got: >>> >>> *spin moment: S , {S} = 2.00000 0.0 0.0 2.00000* >>> >>> Is there any other file from were I can got the spin polarization >>> information? >>> >>> Regards, >>> >>> Camps >>> >> >> >> -- >> Kind regards Nick >> > -- Kind regards Nick