order of f orbitals in DOSCAR
Posted: Sat May 09, 2009 12:41 am
I was wondering if anyone knows the order VASP outputs the f-orbitals in the DOSCAR. I am doing a spin-orbit coupling run and I would like to know which columns correspond to which orbitals. i understand you have a total then each direction component for each of the 7 orbitals (for SOC), but what is the order?
wellsdm
wellsdm