[Wien] A new question about the spin texture calculations in WIEN2k

[Artem Tarasov]

Dear Prof Peter Blaha,

Thank you for your feedback.

I understood that modifying lapwdm may be the most adequate way for 
resolving such task.However, I decided to start with considering the 
influence of the content of case.weightup on the result of lapwdm.

At the begining I just putted all weights in this file to zero. Then I 
was consequently changing the weight for only one eigenvalue by the 
value of its original weight. As a result, I have noticed that some 
eigenstates possess zero values for all spin projections (it should be 
noted that I entered all possible orbitals in case.indmc). I’m 
confused about the meaning of zero spin values. I thought that result 
of lapwdm represents some product of the charge contributions, that 
are usually calculated by lapw 2, and spin polarization values that 
reflects the relative ratio of spin projections. Now I’m just confused 
about interpreting sx,sy,sz values for a certain (E,k)-state.

Sincerely yours,
Artem Tarasov
Department of Solid State Electronics
SPSU.