Quantum ESPRESSO
General
- QE Web site: http://www.quantum-espresso.org
- EPW web site: http://epw.org.uk
- Input keywords: https://www.quantum-espresso.org/Doc/INPUT_PW.html
- CC Docs page: https://docs.computecanada.ca/wiki/Quantum_ESPRESSO
Quantum Espresso is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
Quantum ESPRESSO has evolved into a distribution of independent and inter-operable codes in the spirit of an open-source project. The Quantum ESPRESSO distribution consists of a “historical” core set of components, and a set of plug-ins that perform more advanced tasks, plus a number of third-party packages designed to be inter-operable with the core components.
The projector augmented wave method (PAW) is a technique used in ab initio electronic structure calculations.
It is a generalization of the pseudopotential and linear augmented-plane-wave methods, and allows for density functional theory calculations to be performed with greater computational efficiency.
See Wikipedia: https://en.wikipedia.org/wiki/Projector_augmented_wave_method
Since 26 April 2016 EPW is distributed as part of the Quantum ESPRESSO suite.
- EPW home (version history): http://epw.org.uk/Main/About
EPW is the short name for "Electron-phonon Wannier". EPW is an open-source F90/MPI code which calculates properties related to the electron-phonon interaction using Density-Functional Perturbation Theory and Maximally Localized Wannier Functions.
- PSLIBRARY -- a library for generating ultra-soft pseudo-potentials.
- Quantum Espresso vs VASP discussion: