mag4.cli.extract_moments

CLI: extract converged magnetic moments from a tree of WIEN2k .scf files.

Layer: WIEN2k-specific.

Beyond tabulating the per-site moments, it checks that every configuration reached its intended magnetic state — a config whose moment collapsed to ~0 (non-magnetic solution) or drifted far from the generated |MAGMOM| = 2·S has an unreliable total energy and would poison a J / Jring extraction.

Functions

main([argv])

mag4.cli.extract_moments.main(argv=None)[source]
Return type:

int