greenWTE.solve_iter

CLI to solve the phonon Wigner Transport Equation (WTE) with an iterative inner solver.

This command-line interface runs the iterative WTE workflow for a single spatial grating \(k\) in rad/m and temperature \(T\) in K over a set of temporal frequencies \(\omega\) in rad/s. It builds the requested source term, constructs a Material from a phono3py HDF5 file, and then solves for the complex temperature response using IterativeWTESolver. The script then prints per-frequency conductivities (total, population, coherence) and writes results/metadata to an HDF5 file.

Notes

• --spatial-frequency expects a base-10 exponent x and is converted to \(k = 10^x\) in rad/m.

• --omega-range accepts either a single exponent (interpreted as \(10^x\)) or a triplet start stop num producing xp.logspace(start, stop, num) in rad/s, sorted ascending.

Functions

get_parser()	Get the argument parser for the CLI.
parse_arguments([argv])	Parse and validate command-line arguments for the Green-operator WTE solver.

greenWTE.solve_iter.get_parser() → ArgumentParser

Get the argument parser for the CLI.

greenWTE.solve_iter.parse_arguments(argv: Iterable[str] | None = None) → Namespace

Parse and validate command-line arguments for the Green-operator WTE solver.

The omega_range accepts either a single number (interpreted as a base-10 exponent) or three numbers start stop num meaning np.logspace(start, stop, num).

Parameters:

argv (Iterable[str] or None, optional) – CLI arguments to parse (defaults to sys.argv[1:] when None).

Returns:

Parsed arguments.

Return type:

argparse.Namespace

Raises:

ValueError – If omega_range options are not specified as either 1 value or 3 values.