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reading spin-texture in band structure calculation

Posted: Sun Dec 08, 2013 8:40 am
by urmi
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

Posted: Mon Dec 09, 2013 2:14 pm
by admin
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

reading spin-texture in band structure calculation

Posted: Mon Feb 17, 2014 8:43 pm
by urmi
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?