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SIESTA manual ../version

U s e r s G u i d eS I E S T A 27, 2021 Committee:Emilio ArtachoCIC-Nanogune and University of CambridgeJos Mar a CelaBarcelona Supercomputing CenterJulian D. GaleCurtin University of Technology, PerthAlberto Garc aInstitut de Ci ncia de Materials, CSIC, BarcelonaJavier JunqueraUniversidad de Cantabria, SantanderRichard M. MartinUniversity of Illinois at Urbana-ChampaignPablo Ordej nCentre de Investigaci en Nanoci nciai Nanotecnologia, (CSIC-ICN), BarcelonaNick R bner PapiorTechnical University of DenmarkDaniel S nchez-PortalUnidad de F sica de Materiales,Centro Mixto CSIC-UPV/EHU, San Sebasti nJos M.

1 INTRODUCTION This Reference Manual contains descriptions of all the input, output and execution features of SIESTA, but is not really a tutorial introduction to the program.Interested users can find tu-

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