03 February 2023 0 7K Report

Dear researcher,

I have some doubts how to considering spin-orbit coupling without spin polarization in Wien2wannier package. Thank you if you help me.

  • First, when I run init_w2w -up , I don't know how I should run write_inwf correctly, ie, I want to consider 20 orbitals, 10 for up and 10 for down, but I can't use this: Atom:s,p(u,d). So, after calculation, only 10 wannier functions are calculated.

  • Then, after run init_w2w, I'm not sure about running this sequence:

> x lapw1 > x lapwso

> x w2w - so -up && x w2w - so -dn

> x wannier90 -so Sincerely, Alireza

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