... LSORBIT = .TRUE. (Activate SOC) GGA_COMPAT = .FALSE. (Apply spherical cutoff on gradient field) ##VOSKOWN = 1 (Enhances the magnetic moments ....

the VASP manual under the "LSORBIT tag". In particular, first I do a collinear calculation and save the WAVECAR and CHGCAR files. Then I do a non- collinear ....

首先进行自旋极化计算（当然，如果体系没有磁矩，如Bi2Se3，初始磁矩取为零）。 然后进行非自洽SOC计算： ICHARG = 11. Spin orbit.

LSORBIT = .TRUE. SAXIS = 0 .... The process of SOC calculation is described below.

1. First do the normal optimization 2. Then make the normal DOS calculation. 3.

From there make the SOC .... Spin-orbit interaction switched on (LSORBIT=.TRUE.). For the second calculation, switch to in-plane magnetization by setting MAGMOM = 1.0 ....