Standard relaxation

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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 std_relaxation

To the list of examples or to the main page


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