Guide

The guide is organized around user tasks, not source-code modules. Read these pages when you want to know what to run and how to interpret the result.

What The Guide Covers

  • Install the package and run a first example.
  • Choose between the quick, full, and input-cell routes.
  • Understand the most important outputs before reading the full reference.
  • Prepare supported input files with magnetic moments.
  • Export generated SCIF, POSCAR, KPOINTS, and input-cell operation files.
  • Diagnose common usage errors.

What The Guide Does Not Cover

The guide does not list every attribute on the raw result object. For exact function signatures, all documented output fields, CLI flags, and SCIF modes, use the Reference.

Internal transform diagnostics and setting contracts are collected under Advanced Notes.

  1. Getting Started
  2. Choosing an API
  3. Understanding Results
  4. Input Formats
  5. Examples
  6. Troubleshooting