LSORBIT VASP : VASP旋轨耦合的设置初探- 叶小球的博文

Spinors are only supported by VASP.4.5. Subsections.

LNONCOLLINEAR tag · LSORBIT tag. Georg Kresse 2009-04-23.. TRUE.

and LSORBIT = .TRUE. (to turn on spin-orbit coupling), instead of ISPIN = 2 (collinear spin calculation). To the best .... 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 ....

After a moment, interrupt VASP, remove the LSORBIT line again and do the following: cp IBZKPT KPOINTS 5 Some more technical nitpicks: In the current version .... Copy it to KPOINTS and have the normal version of VASP run, without the LSORBIT flag.

You can also reuse that KPOINTS file, as long as the number of k-points ....