I noticed the following description here:
Projecting the spin magnetisation requires the k-point mesh to cover the entire Brillouin zone. I.e., the DFT calculation must have been performed without symmetry (ISYM = - 1 in VASP).
But I also noticed the following descriptions/comments/notes:
- The official description given on vasp wiki about the ISYM tag:
For ISYM=-1 | 0, the use of symmetry is switched off.
As you can see,
ISYM=-1 | 0 will switch off the symmetry. But the above-mentioned document of
ifermi only says
ISYM = - 1. Any hints for this setting?
- I’ve also noticed the following notice given by irvsp:
Do NOT set ISYM tag in INCAR.
Why do the two tools have opposite requirements for this option?