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SIESTA manual ../version - siesta-project

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. SolerUniversidad Aut noma de MadridSIESTAis Copyright 1996-2021 by The SIESTA GroupContributors to SIESTAThe SIESTA project was initiated by Pablo Ordejon (then at the Univ.)

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-torial material prepared for SIESTA schools and workshops at the …

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