Wannier90 as a community code: new features and applications

23 Jul 2019Giovanni PizziValerio VitaleRyotaro AritaStefan BlügelFrank FreimuthGuillaume GérantonMarco GibertiniDominik GreschCharles JohnsonTakashi KoretsuneJulen Ibañez-AzpirozHyungjun LeeJae-Mo LihmDaniel MarchandAntimo MarrazzoYuriy MokrousovJamal I. MustafaYoshiro NoharaYusuke NomuraLorenzo PaulattoSamuel PoncéThomas PonweiserJunfeng QiaoFlorian ThöleStepan S. TsirkinMałgorzata WierzbowskaNicola MarzariDavid VanderbiltIvo SouzaArash A. MostofiJonathan R. Yates

Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronic-structure codes thanks to its independence from the basis sets representing these Bloch states... (read more)

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