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Installation

AlterSeeK-Path requires Python 3.11 or newer.

Install From Source

Clone the repository and install the package in editable mode:

git clone https://github.com/yujia-teng/AlterSeeK-Path.git
cd AlterSeeK-Path
pip install -r requirements.txt
pip install -e .

After installation, the main command should be available:

alterseek-path

The band-plotting shortcut should also be available:

alterseek-bandplot

The same plotting command can be run through the main entry point:

alterseek-path bandplot

Python Dependencies

The current dependency list is:

  • numpy
  • matplotlib
  • scipy
  • sympy
  • spglib
  • findspingroup >= 0.15.6
  • ase
  • seekpath
  • pymatgen

These are installed through requirements.txt or through the package metadata in pyproject.toml.

Input File Expectations

For the main workflow, run AlterSeeK-Path in a directory containing a structure file such as:

  • POSCAR
  • .vasp
  • .cif
  • .mcif

For POSCAR, .vasp, and .cif inputs, magnetic moments are entered manually. For .mcif inputs, magnetic moments are read from the file when available.