Dear VASP user,
I have performed non-spin polarized calculations in VASP on a system periodic in all three dimensions with periodic cell vectors say a1,a2 and a3 (they are non-orthogonal). I have obtained a DOSCAR file with the DOS projected at every site and angular momenta (s p d).
1) I would like to know in what order are the s, p, d DOS are written in the DOSCAR file.
2) Also I would like to know how these columns correspond to the three periodic vectors I have specified in the POSCAR (what would something like say a px mean in terms of three periodic vectors in POSCAR).
Thanks,
Badri
site projected DOS calculations
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site projected DOS calculations
Last edited by badrinarayanan85 on Thu Jul 21, 2011 11:51 pm, edited 1 time in total.
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site projected DOS calculations
the data are ordered as -ml ... 0l +ml for each l (s,p,d)
Last edited by admin on Wed Aug 31, 2011 4:18 pm, edited 1 time in total.