LSORBIT VASP : INCAR.txt


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LSORBIT VASP
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ISPIN = 1 spin polarized calculation? LNONCOLLINEAR = T non collinear calculations. LSORBIT = T spin-orbit coupling. INIWAV = 1 electr: 0-lowe ....

... 、LNONCOLLINEAR=.TRUE.、MAGMOM=等参数。磁各向异性能计算需要加入LSORBIT=.TRUE.参数,并定义初始磁矩的方向。计算磁各向异性的推荐步骤.... ... VASP.5.4.4to wannier90-2.0.1.

I have done scf calculation in VASP ... LSORBIT = .TRUE.* * LWANNIER90 = .TRUE.

LWRITE_MMN_AMN = .TRUE .... ... LSORBIT = .FALSE. ! LNONCOLLINEAR = .FALSE.

! ICHARG = 2 ! set ICHARG=2 to ... (not INCAR because NBANDS can be changed by vasp run) !! (case 2) SOC ....

LSORBIT=True, but read about it on vasp wiki to understand what does it do and the errors it can introduce. Upvote 2. Downvote Reply ....

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