NGYROMAG
NGYROMAG = [real array]
Default: NGYROMAG = NTYP*1.0
Description: NGYROMAG specifies the nuclear gyromagnetic ratios (in MHz, for H0 = 1 T) for the atomic types on the POTCAR file.
By means of the NGYROMAG-tag one can specify the nuclear gyromagnetic ratio:
NGYROMAG = gamma_1 gamma_2 ... gamma_N
where one should specify one number for each of the N species on the POSCAR file, i.e. if C, H, N, and O are listed as species in the POSCAR file, then there should be four numbers in NGYROMAG, regardless of how many total atoms there are.
| Important: If one does not set NGYROMAG in the INCAR file, VASP assumes a factor of 1 for each species. |
NGYROMAG is given in units of MHz/T, see Ref. [1] for a table of different gyromagnetic ratios. A more extensive list is available on [2] which converts isotopic magnetic moments from Ref. [3] and converts them using the definition of the gyromagnetic ratio defined in Ref. [4].
Related tags and articles
- ↑ Gyromagnetic ratio, www.wikipedia.org (2025)
- ↑ Konstantin's gyromagnetic ratio table, https://www.kherb.io (2025)
- ↑ N. J. Stone, TABLE OF RECOMMENDED NUCLEAR MAGNETIC DIPOLE MOMENTS: PART I, LONG-LIVED STATES, (2019), p.13-43.
- ↑ E. Tiesinga, P. Mohr, P. Newell, B. Taylor, CODATA recommended values of the fundamental physical constants: 2018*, Rev. Mod. Phys. 93, 025010 (2021).