eqmag.m

Computes the molar magnetisation vector at thermal equilibrium for the temperature specified in inter.temperature and the magnetic field specified in sys.magnet, assumed along the Z-axis, with averaging over system orientations using the spherical grid specified.

Syntax

    magn=eqmag(spin_system,parameters)

Parameters

    parameters.grid - spherical grid for averaging

Outputs

    magn - molar magnetization vector [Mx My Mz] in [Na*mu_bohr]

Examples

See triple_dy_eqmag_field.m and triple_dy_eqmag_temp.m files in examples/giant_spin directory.

Notes

The use of bas.formalism='zeeman-hilb' is obligatory. Spinach uses NMR convention for the exchange coupling: the exchange term in the Hamiltonian is 2*pi*J*(LxSx+LySy+LzSz) where J is in Hz.

See also

fieldscan_magn.m, fieldscan_enlev.m, stev2sph.m, stevens.m, equilibrium.m, icm2hz.m, centroid.m, csa2racs.m, geffect.m, hfc2pcs.m, hfc2pms.m, ipcs.m, ippcs.m, kpcs.m, pcs2chi.m, pcs_combi_fit.m, pms2chi.m, ppcs.m, probmax.m, Built-in_experiments

Version 2.1, authors: Ilya Kuprov, Elizaveta Suturina