Pages in category "Spin-orbit coupling". This category contains only the following page. L.

LSORBIT · Categories: VASP · Magnetism.. ... 、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中LSORBIT及相关设置 ... SAXIS未作设置，即采用默认值延z方向(0 0 1)；. 另外要在OUTCAR中print出orbital moment信息，需要设置LORBMOM = .TRUE. 但 ....

... LSORBIT = T NELMIN = 7 ISMEAR = 0 SIGMA = 0.10000000 LORBIT = 11 KPOINT_BSE = -1 0 0 0 GGA = PS ) ) dim_info = Data( kpoints = (NKPTS,3) .... In VASP there are two variables that control the magnetic moments imposed ...

LSORBIT = .TRUE. RWIGS = 2.00 1.87 1.78 1.24 # d-d/2 SAXIS = 0 0 1 LPLANE ....