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Title	BerkeleyGW – A Massively Parallel GW and GW-BSE
Description	About BerkeleyGW is a many-body perturbation theory code for excited states, using the GW method and the GW plus Bethe-Salpeter equation (GW-BSE) method to solve respectively for quasiparticle excitations and optical properties of materials. BerkeleyGW
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US$2,080,227

Last updated: 2023-05-17 03:33:33

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BerkeleyGW A Massively Parallel GW and GW-BSE Code Menu + × expanded collapsed About Documentation Download Developers Forum Workshop/BESC News About BerkeleyGW is a many-body perturbation theory code for excited states, using the GW method and the GW plus Bethe-Salpeter equation (GW-BSE) method to solve respectively for quasiparticle excitations and optical properties of materials. BerkeleyGW is: Suitable for 3D, 2D, 1D, and molecular systems; Applicable to insulating, metallic, and semi-metallic systems; Massively parallelized with MPI, OpenMP, SIMD; Recently ported to GPUs, reaching 86x speedup compared to the CPU implementation. The latest BerkeleyGW can be applied to study systems up to a few thousand atoms. A recent calculation of GW quasiparticle excitation energies of divacancies in Si and SiC adopts a supercell contains > 2700 atoms (> 10,000 electrons), reaching 105.9 double-precision PetaFLOP/s, 52.7% of the peak performance, running at full-scale of Summit at OLCF

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