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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



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



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.

jdeslip's picture

BerkeleyGW 1.0.2 Released

Submitted by jdeslip on Mon, 04/16/2012 - 11:10



BerkeleyGW 1.0.2 is now available for download: http://www.berkeleygw.org/?q=node/6

Included in this Release:

-Important regression fix for BSE wings. This makes a negligible difference for most systems but can affect systems where umklapp (or large q) mixing is important.
-Fix Small Memory Leak Fix Kernel
-Fix bug when interpreting eqp.corrections in Sigma (for self-consistent calculations)
-Many miscellaneous bugfixes


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