Constrained MD using a microcanonical ensemble

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Revision as of 12:28, 26 February 2017 by Karsai (talk | contribs)

Used INCAR Tags

ANDERSEN_PROB,EDIFF,EDIFFG,{TAG|ENMAX}},IBRION,ISMEAR,MDALGO,NSW,POTIM,SIGMA,SYSTEM,TEBEG,TEEND

Download

h2o_on_tio2.tgz, sub-folder constrMD_microcanonical

To the list of examples or to the main page

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