Constrained MD using a canonical ensemble: Difference between revisions

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Description:
== Download ==
== Download ==
[http://www.vasp.at/vasp-workshop/examples/h2o_on_tio2.tgz h2o_on_tio2.tgz, sub-folder constrMD_canonical]
[http://www.vasp.at/vasp-workshop/examples/h2o_on_tio2.tgz h2o_on_tio2.tgz, sub-folder constrMD_canonical]

Revision as of 13:55, 16 March 2017

Description:



Download

h2o_on_tio2.tgz, sub-folder constrMD_canonical

Used INCAR Tags

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

To the list of examples or to the main page

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