[Wien] local axis of PDOS

[Bin Shao]

Dear all,

As we know, the d-electron orbitals will split to eg and t2g in a octahedron
structure. However, there will be a rotation between the local axis of the
octahedron and the globe axis of the supercell in *.struct in some cases. In
my opinion, the *.struct will give the projected DOS according to the globe
axis, am i right?

I wander how to get the projected DOS according to the local axis. Please
give me some suggestions, 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: bshao at mail.nankai.edu.cn
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