Overview

This method combines the efficiency of plane waves with the compactness of Gaussian functions, allowing for all-electron calculations or accurate pseudopotential calculations.

Reference Papers

Reference papers are not yet linked for this code.

Full Documentation

METHOD NOT SOFTWARE

Clarification

GAPW is NOT a standalone software package. It is a method (Gaussian and Augmented Plane Waves) used for electronic structure calculations.

Description

The GAPW method uses a dual basis set approach:

Gaussian functions for describing the atomic orbitals and the core region.
Augmented Plane Waves (or auxiliary plane waves) for the smooth part of the density and potential.

This method combines the efficiency of plane waves with the compactness of Gaussian functions, allowing for all-electron calculations or accurate pseudopotential calculations.

Implementation

The GAPW method is most notably implemented in:

CP2K: The Quickstep module of CP2K is the primary reference implementation for GAPW.
GPAW: While primarily known for PAW, methods combining localized and delocalized functions share theoretical grounds.

Recommendation

If you are looking for software that implements the GAPW method, please refer to:

CP2K (Category 1.1)

Verification

Primary Source: CP2K Documentation (https://www.cp2k.org/)
Literature: Lippert, G., Hutter, J., & Parrinello, M. (1997). "A hybrid Gaussian and plane wave density functional scheme". Molecular Physics.