order of f orbitals in DOSCAR
Posted: Wed Jun 08, 2011 2:02 pm
Dear VASP-users and VASP-admin,
I am trying to analyze in detail DOS of Ce 4f band. Could you please tell me what is the order of f orbitals in the DOSCAR file? (I'm running spin unpolarized calculations) That is, which projections (m quantum number) are represented by last 7 columns in the DOSCAR?
Best wishes,
Sergey
I am trying to analyze in detail DOS of Ce 4f band. Could you please tell me what is the order of f orbitals in the DOSCAR file? (I'm running spin unpolarized calculations) That is, which projections (m quantum number) are represented by last 7 columns in the DOSCAR?
Best wishes,
Sergey