Lsorbit vasp
23 Sep 2024 —

VASP reads in the WAVECAR and CHGCAR files, aligns the spin quantization axis parallel to SAXIS, which implies that the magnetic field is now parallel to SAXIS, .... in the INCAR file allows to perform fully non-collinear magnetic structure calculations. 2.

LSORBIT=.TRUE. switches on spin-orbit coupling and .... VASP磁性计算总结篇_共7页-tml LSORBIT-tag http://cms.mpi.univie.ac.at/vasp/vasp/LSORBIT_tag.html问题: ①第一步线性计算得到WAVECAR 和CHGCAR 文件, ....

The process of SOC calculation is described below. 1. First do the normal optimization 2. Then make the normal DOS calculation.

3. From there make the SOC ....

In order to do calculations including SOC in VASP you necessarily have to perform non-collinear calculations, no matter if your system is spin-polarised or not..