Welcome to the documentation of WESTpy 6.3.0

The WESTpy package is designed to assist users of the WEST code in pre- and post-processing operations.

Features:

  • Guided generation of input files for ground state density functional theory calculations (Qbox, Quantum ESPRESSO)

  • Guided generation of input files for WEST

  • Plot of density of states (DOS), local density of states (LDOS), full-frequency self-energy, and optical absorption spectrum

  • Diagonalization of quantum defect embedding theory (QDET) Hamiltonian

  • Excited-state geometry relaxation using time-dependent density functional theory (TDDFT) forces

See also

WEST is massively parallel code for many-body perturbation theory calculations. Click here to know more.

Contents

Installation

Instructions on how to install the WESTpy package.

Tutorials

A compact demonstration of the usage of WESTpy for pre- and post-processing WEST calculations.

Manual

The complete documentation of the WESTpy API.

Credits

Instructions on how to acknowledge this software in publications.

The WESTpy package is hosted on GitHub, and licensed under the open-source GPLv3 license.

Note

To get help using the WESTpy package, open an issue on GitHub.