Dear All,
I did calculations of band-structure of a topological insulator, with spin-orbit coupling turned on, using vasp_ncl executable. Does anyone know how do I read out the spin-texture of the bands? Can I do that in p4vasp?
Thanks,
Urmimala
reading spin-texture in band structure calculation
Moderators: Global Moderator, Moderator
-
urmi
- Newbie
- Posts: 3
- Joined: Fri Sep 06, 2013 12:51 am
- License Nr.: 68
reading spin-texture in band structure calculation
Last edited by urmi on Sun Dec 08, 2013 8:40 am, edited 1 time in total.
-
admin
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
reading spin-texture in band structure calculation
you can have a look at the spin character of each state by having a look at PROCAR. concerning the p4vasp-related question: please contact the p4vasp-forum
Last edited by admin on Mon Dec 09, 2013 2:14 pm, edited 1 time in total.
-
urmi
- Newbie
- Posts: 3
- Joined: Fri Sep 06, 2013 12:51 am
- License Nr.: 68
reading spin-texture in band structure calculation
Hi,
THanks for the reply. mx, my and mz from PROCAR does not satisfy mx^2+my^2+mz^2=1, is that because this is the magnetization only within the PAW sphere?
THanks for the reply. mx, my and mz from PROCAR does not satisfy mx^2+my^2+mz^2=1, is that because this is the magnetization only within the PAW sphere?
Last edited by urmi on Mon Feb 17, 2014 8:43 pm, edited 1 time in total.