Difference between revisions of "Eqmag.m"
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{{DISPLAYTITLE:eqmag.m}} __NOTOC__ | {{DISPLAYTITLE:eqmag.m}} __NOTOC__ | ||
| − | + | 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. | |
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| − | Computes the molar | ||
==Syntax== | ==Syntax== | ||
Revision as of 19:15, 5 June 2026
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
Version 2.1, authors: Ilya Kuprov, Elizaveta Suturina
