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Contracted Plane Wave satisfying periodic gauge

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arxiv 2010.03959 v1 pith:TT4PRM4K submitted 2020-10-06 cond-mat.mtrl-sci

Takao Kotani This is my paper · ORCID
classification cond-mat.mtrl-sci
keywords cpwsplanecontractedfunctionsgaugegivenperiodicwannier
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We introduce the contracted plane waves (CPWs), which satisfy the periodic gauge in the Brillouin-zone torus as in the case of usual Wannier functions. CPWs are very simply given as the sum of plane waves. We will be able to use CPWs instead of the Wannier functions for the interpolation of physical quantities given as the function of wave vectors in BZ. Furthermore, it will be easy to complement the set of Gaussian bases by CPWs.

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Cited by 1 Pith paper

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  1. Efficient implementation of the quasiparticle self-consistent $GW$ method on GPU

    physics.comp-ph 2025-06 conditional novelty 6.0 of 10

    A multi-GPU QSGW implementation in ecalj reaches over ten times speedup on one GPU node versus four CPU nodes, and a mixed-precision mode triples that speed with meV-level accuracy changes.

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