[Wien] The eigenvalues of special k-point after doing spin-orbita coupling

Bin Shao binshao1118 at gmail.com
Fri Nov 26 08:32:23 CET 2010


Dear all,

I intend to calculate the MAE with the force theory and now I want to find
the contribution of the special k-point to MAE. I can find the sum of
occupied eigenvalues in bottom of the scf2dn/up files, but where to find the
occupied eigenvalues of the special k-point after doing spin-orbit coupling?

Thank you in advanced!

Best regards,

-- 
Bin Shao, Ph.D. Candidate
College of Information Technical Science, Nankai University
94 Weijin Rd. Nankai Dist. Tianjin 300071, China
Email: binshao1118 at gmail.com
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