BerkeleyGW-2.0.0_3.txz


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Description

BerkeleyGW - Scientific program aimed at the ab initio virtual experimentation

Property Value
Distribution FreeBSD 11
Repository FreeBSD Ports Quarterly amd64
Package filename BerkeleyGW-2.0.0_3.txz
Package name BerkeleyGW
Package version 2.0.0
Package release 3
Package architecture amd64
Package type txz
Category science
Homepage https://berkeleygw.org
License BSD3CLAUSE
Maintainer yuri@FreeBSD.org
Download size 63.33 MB
Installed size 122.23 MB
The BerkeleyGW package is a set of computer codes that calculates the
quasiparticle properties and the optical responses of a large variety of
materials from bulk periodic crystals to nanostructures such as slabs, wires and
molecules. The package takes as input the mean-field results from various
electronic structure codes such as the Kohn-Sham DFT eigenvalues and
eigenvectors computed with PARATEC, Quantum ESPRESSO, SIESTA, PARSEC, Abinit,
Octopus, or TBPW (aka EPM). The package consists of the three main component
codes:
* Epsilon computes the irreducible polarizability in the Random Phase
Approximation and uses it to generate the dielectric matrix and its inverse.
* Sigma computes the self-energy corrections to the DFT eigenenergies using the
GW approximation of Hedin and Lundqvist, applying the first-principles
methodology of Hybertsen and Louie within the generalized plasmon-pole model
for the frequency-dependent dielectric matrix.
* BSE solves the Bethe-Salpeter equation for correlated electron-hole excitations.
WWW: https://berkeleygw.org
Options:
- DOCS: on
- EXAMPLES: on

Alternatives

Package Version Architecture Repository
BerkeleyGW-2.0.0_3.txz 2.0.0 amd64 FreeBSD Ports Latest
BerkeleyGW-2.0.0_3.txz 2.0.0 i386 FreeBSD Ports Latest
BerkeleyGW-2.0.0_3.txz 2.0.0 i386 FreeBSD Ports Quarterly
BerkeleyGW - - -

Requires

Name Value
fftw3 = 3.3.8_4
gcc9 = 9.2.0
libfftw3.so.3 -
libgfortran.so.5 -
libopenblas.so.0 -
libquadmath.so.0 -
openblas = 0.2.20_10,1
python36 = 3.6.9

Download

Type URL
Mirror pkg.freebsd.org
Binary Package BerkeleyGW-2.0.0_3.txz
Source Package science/berkeleygw

Install Howto

Install BerkeleyGW txz package:

# pkg install BerkeleyGW

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