要編輯non collinear版本的在INCAR 加幾行指令: LNONCOLLINEAR= .TRUE LSORBIT = .TRUE. SAXIS = 0 0 1 ! (quantisation axis for spin) GGA_COMPAT = .. We should switch off symmetry (ISYM = -1) when doing spin-orbit calculations.
However, this means the computation cost is increased significantly.. TRUE. and LSORBIT = .TRUE.
(to turn on spin-orbit coupling), instead of ISPIN = 2 (collinear spin calculation). To the best .... ... VASP – VASP.5.2.
The new release contains many additional features which ... LSORBIT = .TRUE. switches on spin-orbit coupling and automatically sets ....
4 Sept 2014 — Thu 5:49 am. Hello Users, I forgot to mention that my VASP ... LSORBIT= .TRUE. LNONCOLLINEAR = .TRUE.
SAXIS = 0 0 1. MAGMOM = 0 0 -5 ....
