... Vasp keyword magmom.
The default is 1. for each atom when spin polarization is enabled (with ispin=2). > > Eric > > From: ase-users-bounces .... The MAGMOM tag represents the initial magnetic moment of each atom, you can choose 3 for transition metal and 0 for nonmagnetic atoms..
Considered when symmetry is determined. I also set NUPDOWN for magnetic systems. Return data about the vasp that was used for the ....
MAGMOM 的设定 · MAGMOM并不要求严格按照我们已知的数据去输入 · 如果你知道体系的磁矩是多少，初始的时候可以设置的更大些，1.2或者1.5倍。 · 如果你设置 .... MAGMOM 标签. 2017.
12-04. Ex12 VASP中MAGMOM的简单设定. 12-03.
Ex11 O 2 单点计算和优化结果分析. © 2018 – 2022 By BigBro(a)s. 由Hexo & NexT.Pisces 强力驱动..