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AlterSeeK-Path User Guide

AlterSeeK-Path generates k-point paths for altermagnetic band-structure calculations. It starts from a standard SeeK-path high-symmetry path, inserts a general k point, maps it through a spin-flip operation to k', and writes a VASP KPOINTS file for sampling spin splitting along paired path segments.

This guide expands the quick-start information in the repository README.

Main Commands

Run the interactive k-path workflow:

alterseek-path

Plot a generated spin-resolved band structure:

alterseek-path bandplot

See Plotting for band-plot inputs, configuration, and output options.

Standalone utilities are also available:

python find_sf_operations.py
python compute_centroid_hybrid.py POSCAR

Current Scope

AlterSeeK-Path currently focuses on VASP workflows. Quantum ESPRESSO support is partial.

The internal path conventions follow SeeK-path labels and reciprocal bases. When writing VASP KPOINTS, the final numerical coordinates are converted into the reciprocal basis of the actual input structure used by VASP.