Overview

WEST (Without Empty STates) is a massively parallel software for large scale electronic structure calculations within many-body perturbation theory.

Features:

• GW self-energy (full-frequency) [GPU enabled]

• Absorption spectra and energies with TDDFT or BSE [GPU enabled]

• Excited states forces with TDDFT [GPU enabled]

• CI-in-DFT quantum defect embedding theory (QDET) [GPU enabled]

• Electron-phonon under development

WEST uses as starting point the charge density and Kohn-Sham orbitals obtained with hybrid or semilocal DFT. WEST uses the plane-wave pseudopotential method.

See also

WESTpy is a Python package, designed to assist users of the WEST code in pre- and post-process massively parallel calculations. Click here to know more.