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We are happy to announce the release of the 3.0 version of the BerkeleyGW software package for excited states, using the GW method and the GW plus Bethe-Salpeter equation (GW-BSE) method to solve, respectively, for quasiparticle excitations and optical properties of materials.  BerkeleyGW is a general code based on quantum many-body perturbation theory that isContinue reading “BerkeleyGW software package version 3.0 release”

Our work “Accelerating large-scale excited-state GW calculations on leadership HPC systems” (authored by M. Del Ben, C. Yang, Z. Li, F. H. da Jornada, S. G. Louie, and J. Deslippe) has been selected as a finalist for the 2020 Gordon Bell Prize. In this work, the GPU-accelerated BerkeleyGW has been successfully running at full scaleContinue reading “GPU Acceleration of BerkeleyGW has been selected as a finalist for the 2020 Gordon Bell Prize”

UC Merced and C2SEPEM are jointly holding an online BerkeleyGW tutorial session during the Virtual Electronic Structure Workshop 2020. (The actual conference is postponed due to the COVID-19 pandemic.) Link: https://physics.ucmerced.edu/electronic-structure-workshop The online BerkeleyGW tutorial session is held on June 5, 2020, 9:00 AM – 12:00 PM PDT. The tutorial covers standard GW and GW-BSE calculationsContinue reading “Online BerkeleyGW tutorial during the Virtual Electronic Structure Workshop 2020”

A new Python code, dbaAutomator, is now available to help BerkeleyGW users working on molecular crystals verify the convergence of the fine k-point grid and perform double-Bader analysis (DBA) of exciton character. A full account is provided in Journal of Physics: Condensed Matter, https://doi.org/10.1088/1361-648X/ab699e. Briefly, to check the fine grid convergence, dbaAutomator applies a criterionContinue reading “dbaAutomator Now Available for BerkeleyGW”

We are releasing today a new version of BerkeleyGW. BerkeleyGW 2.1 is the first version based on a new and more modern coding infrastructure, with better support for new compilers and improved consistency checks. For the end users, the main noticeable features include increased performance and bug fixes for I/O operations involving the new HDF5 fileContinue reading “BerkeleyGW 2.1”

We are pleased to invite you to the 6th annual BerkeleyGW workshop, which will take place in Oakland, California on 3-5 June 2019. Registration is now open. There will be an advanced track and the possibility of contributed presentations and posters from returning BerkeleyGW users. After the workshop, there will be a two-day scientific meetingContinue reading “6th annual BerkeleyGW tutorial, 3-5 June 2019, and contributed talks, 6-7 June 2019”

We are releasing today the next major version of BerkeleyGW.  BerkeleyGW 2.0 represents the culmination of nearly two years of development effort, and this release contains a number of important new features and capabilities including: 1. The initial release of ParaBands: a new tool for efficiently generating wave-function files including many empty orbitals required forContinue reading “BerkeleyGW 2.0”

We have a mailing list for users to request help building and using BerkeleyGW as well as a forum for developers. You may send an email to the list without joining or may request to join the list to participate in the community. User Help Forum: https://groups.google.com/a/berkeleygw.org/forum/#!forum/help Developer Mailing List: https://groups.google.com/a/berkeleygw.org/forum/#!forum/developers

5th annual BerkeleyGW tutorial, 10-12 Jan 2018 Oakland City Center (OCC) Conference Center, Oakland, CA Free registration at: https://sites.google.com/site/berkeleygw2018/

Welcome to BerkeleyGW.org, the home of the Berkeley GW / Bethe-Salpeter equation computer package. See page on technical details and information on citation/acknowledgment, and our new documentation page! Presentations and examples from our 2018 tutorial are available here. We haven’t moved the old forum to this new website. You can still access the previous forumsContinue reading “Welcome!”