What is the default spin orbit coupling strength in vasp?
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know it has been discussed earlier but due to ambiguities, still I want to make it clear. I'm trying to apply external electric field to a 2D system (e.g., graphene). After getting relaxed structure, next, in the SCF calculation, I just need to add the following three tags
#Electric Field:
LDIPOL = .TRUE.
IDIPOL = 3
EFIELD = 0.025
and similarly, in the band structure calculation (reading WAVECAR and CHGCAR from SCF).
Is it the right way to apply electric field in VASP? If no, please share the correct method. If yes, the please share your experience with spin-orbit calculations and its convergence.
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ıllıllıllıllıllıllı[ Your Answer ]ıllıllıllıllıllıllı
ȯ
know it has been discussed earlier but due to ambiguities, still I want to make it clear. I'm trying to apply external electric field to a 2D system (e.g., graphene). After getting relaxed structure, next, in the SCF calculation, I just need to add the following three tags
#Electric Field:
LDIPOL = .TRUE.
IDIPOL = 3
EFIELD = 0.025
and similarly, in the band structure calculation (reading WAVECAR and CHGCAR from SCF).
Is it the right way to apply electric field in VASP? If no, please share the correct method. If yes, the please share your experience with spin-orbit calculations and its convergence.
▁ ▂ ▄ ▅ ▆ ▇ █ [ Hᴏᴘᴇ Help You Dear ] █ ▇ ▆ ▅ ▄ ▂ ▁
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