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18 lines
1.0 KiB
Plaintext
18 lines
1.0 KiB
Plaintext
The BerkeleyGW package is a set of computer codes that calculates the
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quasiparticle properties and the optical responses of a large variety of
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materials from bulk periodic crystals to nanostructures such as slabs, wires and
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molecules. The package takes as input the mean-field results from various
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electronic structure codes such as the Kohn-Sham DFT eigenvalues and
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eigenvectors computed with PARATEC, Quantum ESPRESSO, SIESTA, PARSEC, Abinit,
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Octopus, or TBPW (aka EPM). The package consists of the three main component
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codes:
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* Epsilon computes the irreducible polarizability in the Random Phase
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Approximation and uses it to generate the dielectric matrix and its inverse.
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* Sigma computes the self-energy corrections to the DFT eigenenergies using the
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GW approximation of Hedin and Lundqvist, applying the first-principles
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methodology of Hybertsen and Louie within the generalized plasmon-pole model
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for the frequency-dependent dielectric matrix.
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* BSE solves the Bethe-Salpeter equation for correlated electron-hole excitations.
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WWW: https://berkeleygw.org
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