[Wien] Spin components of Bloch states

Md. Fhokrul Islam fislam at hotmail.com
Fri May 18 16:49:05 CEST 2018


Dear Wien2k users,

I am interested to calculate the spin texture of Bloch states at or close to the Fermi level
over a plane, say kz=0. I can calculate all eigenvalues over a planer k-mesh but not
sure how to extract spin components Sx, Sy and Sz for the eigenstates. I have done calculations before for different spin components of atoms using LAPWDM, which sums up contribution of all occupied states but now I would like to calculates spin components of both occupied and unoccupied egienstates (not the sum). I would appreciate if anyone can suggest me how to perform this calculation.


Thanks,
Fhokrul


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