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 POSCAR in some cases. In my opinion, the DOSCAR 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,
local axis of PDOS
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corbin
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local axis of PDOS
Last edited by corbin on Wed Jul 20, 2011 3:53 pm, edited 1 time in total.
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support_vasp
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Re: local axis of PDOS
Hi,
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