SW Class Properties

The sw object properties store all the information necessary for the spin wave calculation. It has 8 fields with several subfields, see below.

Contents

lattice

The lattice field stores the crystallographic unit cell parameters. Subfields are:

See also SW.GENLATTICE, SW.ABC, SW.BASISVECTOR, SW.NOSYM.

unit_cell

The unit_cell field stores the information on the atoms in the crystallographic unit cell. Subfields are:

See also SW.ADDATOM, SW.ATOM, SW.MATOM, SW.NEWCELL, SW.PLOT.

twin

The twin field stores information on crystallographic twins. The subfields are:

See also SW.ADDTWIN, SW.TWINQ, SW.UNIT_CELL.

matrix

The matrix field stores 3x3 matrices that can be assigned to the magnetic Hailtonian. The subfields are:

See also SW.ADDMATRIX, SW.NTWIN.

single_ion

The single_ion field stores single ion terms of the Hamiltonian. The subfields are:

See also SW.ADDANISO, SW.ADDG, SW.GETMATRIX, SW.SETMATRIX, SW.INTMATRIX.

coupling

The coupling field stores the list of bonds, where the bond is between atom1 and atom2. The subfields are:

See also SW.GENCOUPLING, SW.ADDCOUPLING, SW.FIELD.

mag_str

The mag_str field stores the magnetic structure. The subfields are:

See also SW.GENMAGSTR, SW.OPTMAGSTR, SW.ANNEAL, SW.MOMENT, SW.NMAGEXT, SW.STRUCTFACT.

unit

The unit field stores the conversion factors between energy, magnetic field and temeprature units in the Hamiltonian. Defaults units are meV, Tesla and Kelvin for energy, magnetic field and temperature. The subfields are: