In VASP there are two variables that control the magnetic moments .🧑.☀🐗. NSW = 0 ISMEAR = -5 ENCUT = 500 ISPIN = 2 LORBIT = 11 LMAXMIX = 4 ISYM = 0 🎚 .🌎 🍗.🍢🚭🚭.🥐. Now, we know for SOC calculation, VASP automatically set the ISPIN = 1 i📲🦏.e🕣. spin-unpolarized calculation as Sz is no more a good quantum number🗄🐃🐃..
1) 自旋极化的含义及参数设置2) 旋轨耦合的含义及参数设置3) 铁磁、反铁磁的含义及参数设置 解释：所谓ISPIN=2，其实是在哈密顿量加上了一项磁学🗜.🏖🐓🐓..🏵🦉🦉. For a spin-polarized calculation (ISPIN=2), MAGMOM is a list of NIONS positive or negative values that specify the magnitude and relative ...😥😥.
2💀.如果加入自旋的话，是不是只在INCAR里设置ISPIN=2就行了呢，MAGMOM，和NUPDOWN，就不用设置，用默认值呢？ 3🧂.假如OH和H共吸附在Al2O3上，得到稳定吸附，是不是只 🍕🐪.🈶.🏯 .🕌🌐🌐.
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