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Constrained MD using a microcanonical ensemble

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Revision as of 12:40, 26 February 2017 by Karsai (talk | contribs)

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Used INCAR Tags

ANDERSEN_PROB, EDIFF, EDIFFG, ENMAX,IBRION, ISMEAR,MDALGO, NSW,POTIM, SIGMA, SYSTEM, TEBEG,TEEND

Download

h2o_on_tio2.tgz, sub-folder constrMD_microcanonical

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Examples