vasp在计算磁性的实例和讨论(4)

PREC = Accurate NPAR= 1

做铁磁计算或者反铁磁计算需加MAGMOM参数 晶胞中只有一种原子时：

MAGMOM= 2m*3 铁磁计算 （2m是总的原子数，3是每个原子初始磁矩的大小）

MAGMOM=m*-3 m*3反铁磁计算

Types of spin ordering in perovskite oxides

铁磁 FM 反铁磁AFM

A-type:

The intra-plane coupling is ferromagnetic while inter-plane coupling is antiferromagnetic.

C-type:

The intra-plane coupling is antiferromagnetic while inter-plane coupling is ferromagnetic.

G-type:

Both intra-plane and inter-plane coupling are antiferromagnetic.