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Welcome to BerkeleyGW.org, the home of the Berkeley GW / Bethe-Salpeter Equation computer package. See the details section for more information and citation/acknowledgment requirements when using this package.

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dstrubbe's picture

BerkeleyGW 1.1 Beta2

Submitted by dstrubbe on Wed, 12/10/2014 - 13:49

The second release candidate for the 1.1 line of BerkeleyGW is now available on the Downloads page. It has further improvements and bugfixes compared to version 1.1 Beta.

Disclaimers: This release should not be considered production. There are some rough edges here, including the possibility of bugs, sparse documentation and the potential for file-format changes in the future. Please use with caution and, at minimum, test your build using the testsuite (you should actually always do this).

jdeslip's picture

BerkeleyGW 1.1 Beta

Submitted by jdeslip on Mon, 06/30/2014 - 08:39

We are proud to announce the first public preview release in the 1.1 line of BerkeleyGW, on the Downloads page.
Update: the online manual ( html | pdf ) is now available.

Disclaimers: This release should not be considered production. There are some rough edges here, including the possibility of bugs, sparse documentation and the potential for file-format changes in the future. Please use with caution and, at minimum, test your build using the testsuite (you should actually always do this).

That said, there is a lot new in BerkeleyGW 1.1 beta. There have been over 2000 commits since BerkeleyGW 1.0. Highlights include:

1. Performance improvements of roughly 2x throughout the application from new methodologies, libraries, refactoring for improved memory re-use and vectorization.
- Parallel IO support with new HDF5 based file formats for Epsilon and BSE matrices.
- Hybrid MPI/OpenMP Support Throughout
- Support for Many-Core
- FFTW3 Support (and reduced size FFTs)

2. Improved interpolation in BSE, including inteqp.

3. Inclusion of static-remainder technique http://journals.aps.org/prb/abstract/10.1103/PhysRevB.87.165124

4. Improved Full-Frequency integration techniques using advanced quadrature methods.

dstrubbe's picture

tutorial at Benaque TDDFT school, January 2014

Submitted by dstrubbe on Wed, 08/14/2013 - 17:03

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tutorial

The 6th School and Workshop on "Time-Dependent Density-Functional Theory: Prospects and Applications" will include two afternoons of hands-on tutorial using BerkeleyGW, with Octopus as DFT code, as well as lectures on many-body perturbation theory. It will take place Jan 4 - 18, 2014 in Benasque, Spain. For more information see http://benasque.org/2014tddft. Note that the application deadline is at the end of August.

dstrubbe's picture

BerkeleyGW 1.0.4 Released

Submitted by dstrubbe on Mon, 12/10/2012 - 19:27

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releases

BerkeleyGW 1.0.4 is now available for download: http://www.berkeleygw.org/?q=node/6

In this release:
* Critical bugfix for q->0 term in Sigma for metals.
* PREBUILT wfns for silicon example are now available for download, rather than being included in the release, to reduce file sizes.
* Fixes for 3D interpolation, shifted Fermi level in BSE, epsomega, epsinvomega, espresso 4.3.2 utilities, JDOS normalization, plotxct
* Improvements to error handling in parallel, examples, eqp.py, documentation, config files, Visual, kgrid.
* PW2BGW can now exclude the NLCC term in VXC as an option.

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