I am using VASP and it recommended to use the experimental magnetic moment for MAGMOM tag. The problem is I can't find a standard table of .... INCAR · SYSTEM = Ni fcc bulk ISTART = 0 ISPIN = 2 MAGMOM = 1.0 ISMEAR = - ....
用VASP依次进行结构弛豫、静态计算(DOS)、能带计算。在静态计算前,INCAR设置MAGMOM,计算后得到与MAGMOM不一样的磁矩magnetization。是否需要把能 .... The MAGMOM tag represents the initial magnetic moment of each atom, you can choose 3 for transition metal and 0 for nonmagnetic atoms.. MAGMOM. = 0.0 0.0 1.0.
VOSKOWN. = 1. LSORBIT. = .TRUE.
INCAR. Initialize moment along z-direction. (out of plane).
For Fe: MAGMOM = 0.0 ....
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