magnopy.scenarios.solve_lswt#

magnopy.scenarios.solve_lswt(spinham, spin_directions=None, k_path=None, kpoints=None, relative=False, magnetic_field=None, output_folder='magnopy-results', number_processors=None, comment=None, no_html=False, hide_personal_data=False, spglib_symprec=1e-05) → None[source]#

Computes magnon Hamiltonian at the level of Linear Spin Wave theory.

Progress of calculation is shown in the standard output (print()). A bunch of the output files is created and saved on the disk inside the output_folder.

Parameters:

spinhamSpinHamiltonian: Spin Hamiltonian object.
spin_directions(M, 3) array-like, optional.: Directions of the local quantization axis for each spin. Magnitude of the vector is ignored, only the direction is considered. If None, then magnopy attempts to optimize classical energy of spin Hamiltonian to determine spin directions.
k_pathstr, optional: Specification of the k-path. The format is "G-X-Y|G-Z" For more details on the format see documentation of wulfric. If nothing given, then the k-path is computed by wulfric automatically based on the lattice type. Ignored if kpoints are given.
kpoints(N, 3) array-like, optional: Explicit list of k-points to be used instead of automatically generated.
relativebool, default False: If relative == True, then kpoints are interpreted as given relative to the reciprocal unit cell. Otherwise it is interpreted as given in absolute coordinates.
magnetic_field(3, ) array-like: Vector of external magnetic field (magnetic flux density, B), given in Tesla.
output_folderstr, default "magnopy-results": Name for the folder where to save the output files. The folder is created if it does not exist.
number_processorsint, optional: Number of processors to be used in computation. By default magnopy uses all available processes. Use number_processors=1 to run in serial mode.
commentstr, optional: Any comment, that will be shown in the standard output right after the magnopy's logo.
no_htmlbool, default False: Added in version 0.2.0.

Whether to produce .html files. If no_html = False, then Plotly is expected to be available.
hide_personal_databool, default False: Added in version 0.2.0.

If False, then os.path.abspath(pathname) is used to show full paths to the output and input files. If True, then only pathname is used.
spglib_symprecfloat, default 1e-5: Added in version 0.2.0.

Tolerance parameter for the space group symmetry search by spglib. Reduce it if the space group is not the one you expected.

Notes

When using this function of magnopy in your Python scripts make sure to safeguard your script with the

import magnopy

# Import more stuff
# or
# Define your functions, classes

if __name__ == "__main__":

    # Write your executable code here

For more information refer to the "Safe importing of main module" section in multiprocessing docs.

magnopy.scenarios.solve_lswt#

This Page