Lsorbit vasp example : OstravaJ - Jan Priessnitz
Last update. examples/NiO .gitignore, modify NiO example ... VASP input files). Provide INCAR with spin polarization enabled (ISPIN=2 or LSORBIT = ....
... (LSORBIT=True).
All magnetic moments and spinor-like quantities ... Example. In case the bases have the same orientation, i.e., σ 1 = x .... LSORBIT = True switches on spin-orbit coupling (SOC) [1] and automatically sets LNONCOLLINEAR = True.
It requires using vasp_ncl.. 作者：G Ceder · 2012 · 被引用次数：2 — For example, an NMR study by Yang et al.46 revealed the crucial role of the ... 117) by using the LSORBIT tag in VASP with quantization axis in the plane-.. Second variation is described for example in "Self-consistent Relativistic Full ...
LSORBIT = .TRUE. and noted the total energy in OUTCAR for different ....