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
calculate dielectric constant with spin-orbit
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hatdau
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calculate dielectric constant with spin-orbit
Last edited by hatdau on Tue Aug 19, 2014 7:02 pm, edited 1 time in total.
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hatdau
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calculate dielectric constant with spin-orbit
Just want to update you all with the figure so you have idea how really they are different
Last edited by hatdau on Wed Aug 20, 2014 4:23 pm, edited 1 time in total.
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