A python module to operate BerkeleyGW
We recommend learning the basic usage from the examples provided with the source distribution in ~BGWpy/Examples/. The docstrings of the various objects also contain information and can be accessed from a python interpreter with
help(BGWpy.<object>)
or from ipython with
In [1]: BGWpy.<object>?
The following software and modules are required to use BGWpy.
- python 2.7 required (Python 3 not supported at the moment)
- numpy 1.6+ (http://www.scipy.org/)
- pymatgen 4.0+ (http://pymatgen.org/)
- BerkeleyGW 1.2+ (http://www.berkeleygw.org/)
Note that the binary executables of BerkeleyGW must be found in your PATH environment variable.
Once you have satisfied the requirements, install the package with
python setup.py install
See the file INSTALL for more information about configuring the module's default parameters.
This software is free to use under the BSD license. See license.txt for more information.