calculate dielectric constant with spin-orbit
Posted: Tue Aug 19, 2014 7:02 pm
Dear VASPers,
Can anyone explain to me why the results for w/o and w/ spin orbit dielectric functions are totally different? For example w/o spin-orbit I can reproduce imaginary part of epsilon as in VASP example, i.e with a finite gap. However when including spin orbit the gap in imaginary part of epsilon disappear, the eps_2 star increasing to finite number at zero frequency.
I would greatly appreciate any help or suggestion.
Thanks,
I use following tag:
LOPTICS = .TRUE.
LRPA = .TRUE.
and to include spin-orbit I add
LSORBIT = T
Can anyone explain to me why the results for w/o and w/ spin orbit dielectric functions are totally different? For example w/o spin-orbit I can reproduce imaginary part of epsilon as in VASP example, i.e with a finite gap. However when including spin orbit the gap in imaginary part of epsilon disappear, the eps_2 star increasing to finite number at zero frequency.
I would greatly appreciate any help or suggestion.
Thanks,
I use following tag:
LOPTICS = .TRUE.
LRPA = .TRUE.
and to include spin-orbit I add
LSORBIT = T