jarvis.analysis.magnetism.magmom_setup

Module for setting MAGMOM and AFM/FM orderings.

Module Contents

Classes

MagneticOrdering

Provide modules for enumerating magnetic ordering analysis.

class jarvis.analysis.magnetism.magmom_setup.MagneticOrdering(atoms=None)[source]

Bases: object

Provide modules for enumerating magnetic ordering analysis.

apply_symmetry_operations(self, atoms, spg, tol=0.0001)[source]

Figure out the effects of all the symmetry operations.

get_unique_magnetic_structures(self, atoms, supercell_dim=[1, 1, 1], magnetic_ions=None, noferri=True, magmom=3.0)[source]

Generate supercells with unique magnetic orderings.

noferri=False to get ferrimagnetic configurations.

tc_mean_field(self, energies=[- 2, - 1])[source]

Curie temperature using mean-field theory.

get_mag_ions(self)[source]

List all magnetic atoms in the Atoms object.

get_minimum_configs(self, min_configs=3, enforce_primitive=True)[source]

Get minimum number of spin structures for Tc calculations.