ISPIN VASP : ISPIN - VASP Wiki
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23 Sep 2024 —
Buy Now... ISPIN = 1 !! spin pol. & no SOC ! ISPIN = 2 ! ISYM = -1 ! LSORBIT = .FALSE ...
(not INCAR because NBANDS can be changed by vasp run) !! (case 2) SOC .... ISPIN = 2 ! ISYM = -1 ! LSORBIT = .FALSE.
! LNONCOLLINEAR = .FALSE ... VASP VASPKIT.
最近回复. Flipped: 请问在计算二维材料的线性光学性质 ....
Dear VASP developer, I first ran the first job "PBE-600-21x22x23-m" (see the attached file "TwoRuns.rar") with ISPIN = 2 and got the converged energy:. ISPIN=2 #spin polarized calculation (2-yes 1-no). NUPDOWN=0 #fix spin moment to specified value. # 0: S=0, 2S+1 = 1, SINGLET.
# 1: S=1/2, 2S+1 .... ISPIN = 1 | 2. Default: ISPIN = 1.
Description: ISPIN specifies spin polarization. ISPIN=1: non-spin-polarized calculations are performed..
