About Spin-orbital coupling calculation
Posted: Tue Nov 23, 2004 1:31 pm
to get the orbital moments, you have to set:
ISPIN = 2
VOSKOWN = 1 (if PAW91)
LORBIT = 11
LORBMOM = .TRUE.
LSORBIT = .TRUE.
MAGMOM = (set of 3 numbers for each ion)
the orbital moment is written in OUTCAR
ISPIN = 2
VOSKOWN = 1 (if PAW91)
LORBIT = 11
LORBMOM = .TRUE.
LSORBIT = .TRUE.
MAGMOM = (set of 3 numbers for each ion)
the orbital moment is written in OUTCAR