PROCAR - d orbitals

[zrfssh]

Dear admistrator,

Could you please give an explanation on the meanings of PROCAR. There are two sections containing values of orbitals after line,
"ion s py pz px dxy dyz dz2 dxz dx2 tot"

The first sections contains one row values for each atoms, while in the second section, for each atom, there are two rows.
Question,
1) which one is the real values for orbitals, in the first section or the second one?
2) If the values of orbitals are in the second section, why there are two rows? how to combine them?
3) Does d orbitals "dxy, dyz, dz2, dxz, dx2" correspond to d-2, d-1, d0, d+1,d+2?
4) Does dx2 orbital means dx2-dy2?

Thanks a lot!

Best,

[admin]

Cf. the thread:
http://cms.mpi.univie.ac.at/vasp-forum/ ... f=4&t=2754