## Description

**BerkeleyGW - Scientific program aimed at the ab initio virtual experimentation**

Property | Value |
---|---|

Distribution | FreeBSD 11 |

Repository | FreeBSD Ports Latest 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 | 122.24 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 | i386 | FreeBSD Ports Latest |

BerkeleyGW-2.0.0_3.txz | 2.0.0 | i386 | FreeBSD Ports Quarterly |

BerkeleyGW-2.0.0_3.txz | 2.0.0 | amd64 | FreeBSD Ports Quarterly |

BerkeleyGW | - | - | - |

## Requires

Name | Value |
---|---|

fftw3 | = 3.3.8_4 |

gcc9 | = 9.1.0_1 |

libfftw3.so.3 | - |

libgfortran.so.5 | - |

libopenblas.so.0 | - |

libquadmath.so.0 | - |

openblas | = 0.2.20_9,1 |

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`

## See Also

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ChaiScript-6.1.0_3.txz | Embedded scripting language designed for C++ |

CharisSIL-5.000.txz | Charis SIL TrueType font collection |

CharisSILCompact-4.114_2.txz | Charis SIL TrueType font collection, compact variant |

CheMPS2-1.8.9_4.txz | Spin-adapted implementation of DMRG for ab initio quantum chemistry |

CheckM-1.0.18.txz | Quality assessment tool for the microbial genomes |

ChipmunkPhysics-7.0.1_2.txz | 2D physics engine written in C |

Clp-1.16.10_8.txz | Linear Programming Solver |

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