magnopy.scenarios.optimize_sd

magnopy.scenarios.optimize_sd(spinham, supercell=(1, 1, 1), magnetic_field=None, energy_tolerance=1e-05, torque_tolerance=1e-05, output_folder='magnopy-results', comment=None, no_html=False, hide_personal_data=False) → None

Optimizes classical energy of spin Hamiltonian and finds a set of spin directions that describe local minima on the energy landscape.

Parameters:

spinhamSpinHamiltonian

Spin Hamiltonian.

supercell(3, ) tuple of int

If different from (1, 1, 1), then a supercell Hamiltonian is constructed and spins are varied within the supercell and not within a unit cell.

Added in version 0.2.0.

magnetic_field(3, ) array-like

Vector of external magnetic field, given in Tesla.

energy_tolerancefloat, default 1e-5

Tolerance parameter. Difference between classical energies of two consecutive optimization steps.

torque_tolerancefloat, default 1e-5

Tolerance parameter. Maximum torque among all spins.

output_folderstr, default "magnopy-results"

Name for the folder where to save the output files. If the folder does not exist then it will be created.

commentstr, optional

Any comment to output right after the logo.

no_htmlbool, default False

Whether to produce .html files with interactive representation of the data. If no_html=False, then requires Plotly to be installed.

Added in version 0.2.0.

hide_personal_databool, default False

Whether to use os.path.abspath() when printing the paths to the output and input files.

Added in version 0.2.0.

Raises:

ValueError

If len(supercell) != 3.

ValueError

If supercell[0] < 1 or supercell[1] < 1 or supercell[2] < 1.