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BerkeleyGW is licensed under a free, open source, and permissive 3-clause modified BSD license included with the package. Users may modify and share the source as is consistent with the license.

As a condition for using BerkeleyGW, you are asked to cite the following papers and acknowledge the use of the BerkeleyGW package in your publications.

• [1] Mark S. Hybertsen and Steven G. Louie, “Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies,” Phys. Rev. B 34, 5390 (1986)

• [2] Michael Rohlfing and Steven G. Louie, “Electron-hole excitations and optical spectra from first principles,” Phys. Rev. B 62, 4927 (2000)

• [3] Jack Deslippe, Georgy Samsonidze, David A. Strubbe, Manish Jain, Marvin L. Cohen, and Steven G. Louie, “BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures,” Comput. Phys. Commun. 183, 1269 (2012) (http://arxiv.org/abs/1111.4429)

Papers [1] and [3] should be cited when discussing quasiparticle properties such as GW band structures, and papers [2] and [3] should be cited when discussing optical properties with excitonic effects.

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Latest release

BerkeleyGW 3.0.1: BerkeleyGW-3.0.1.tar.gz – License – June 2021

BerkeleyGW 3.0: BerkeleyGW-3.0.tar.gz – License – May 2021

BerkeleyGW-3.0 Release Notes

• Full, 2-component spinor support enabling spin-orbit coupling (SOC) effects in GW and GW-BSE functionalities;
• Exciton finite momentum Q for exciton band structures;
• Broader support for arbitrary DFT starting-point functionals, including: LDA, GGA, hybrid, meta-GGA, DFT+U, etc.;
• Improved support to the latest Quantum Espresso (v6.x), in addition to existing support to other DFT codes;
• New support for GPU acceleration for Epsilon and Sigma (GPP) parts of the code, in addition to the standard CPU implementation;
• I/O performance improvements: full HDF5 support of wavefunctions (WFN files) besides standard binary I/O;
• New tools for wavefunction self-consistent calculations;
• Improved performance, tools and documentation for new and existing features;
• Additional examples on public repository: https://github.com/BerkeleyGW/BerkeleyGW-examples;
• Several bug fixes and improved compilers/libraries support.