Dear Wannier90 developers, The system I am working on has two kinds of transition metal-anion octahedra (TM and anion are the same). These two octahedra differ by rotation. Now, if I am specifying the two different local axis (along the TM-anion bonds which are almost orthonormal) for these two octahera, I am not able to wannierize the ab-initio band structure with spin-orbit coupling on. Without the local axis, I am able to get a good wannierization.
I am using VASP-5.4.4 and wannier1.2 versions. Can you please tell me where it is going wrong? Thanking you in adavnce. Sincerely, Shishir
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