jarvis.analysis.magnetism package

Submodules

jarvis.analysis.magnetism.magmom_setup module

Module for setting MAGMOM and AFM/FM orderings.

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

Bases: object

Provide modules for enumerating magnetic ordering analysis.

apply_symmetry_operations(atoms, spg, tol=0.0001)

Figure out the effects of all the symmetry operations.

get_mag_ions()

List all magnetic atoms in the Atoms object.

get_minimum_configs(min_configs=3, enforce_primitive=True)

Get minimum number of spin structures for Tc calculations.

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

Generate supercells with unique magnetic orderings.

noferri=False to get ferrimagnetic configurations.

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

Curie temperature using mean-field theory.

Module contents

Modules for magnetism related analysis.