AlterSeeK-Path User Guide

AlterSeeK-Path generates general-k 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, Quantum ESPRESSO, or ABINIT k-path file for sampling spin splitting along paired path segments.

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

Main Commands

Run the k-path workflow:

alterseek-path

Run the same workflow in 2D/slab mode (see Workflow for details):

alterseek-path --2d

Plot a generated spin-resolved band structure:

alterseek-plot

The generated plotting configuration selects the code automatically when it is the only one present. It can also be specified explicitly:

alterseek-plot vasp
alterseek-plot qe
alterseek-plot abinit

See Plotting for their inputs and settings.

Standalone utilities are also available:

python -m alterseek.find_sf_operations
python -m alterseek.compute_centroid_3d POSCAR

Coordinate Conventions

SeeK-path may construct the path in a standardized reciprocal basis. AlterSeeK-Path converts the resulting fractional coordinates into the submitted cell's reciprocal basis while preserving the same physical k-vector. VASP, QE, and ABINIT outputs therefore use fractional reciprocal coordinates in the submitted cell basis.