Constrained MD using a microcanonical ensemble: Difference between revisions
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== Used INCAR Tags == | |||
{{TAG|ANDERSEN_PROB}},{{TAG|EDIFF,EDIFFG}},{TAG|ENMAX}},{{TAG|IBRION}},{{TAG|ISMEAR}},{{TAG|MDALGO}},{{TAG|NSW}},{{TAG|POTIM}},{{TAG|SIGMA}},{{TAG|SYSTEM}},{{TAG|TEBEG}},{{TAG|TEEND}} | |||
== Download == | == Download == | ||
[http://www.vasp.at/vasp-workshop/examples/h2o_on_tio2.tgz h2o_on_tio2.tgz, sub-folder constrMD_microcanonical] | [http://www.vasp.at/vasp-workshop/examples/h2o_on_tio2.tgz h2o_on_tio2.tgz, sub-folder constrMD_microcanonical] | ||
---- | ---- | ||
[[VASP_example_calculations|To the list of examples]] or to the [[The_VASP_Manual|main page]] | [[VASP_example_calculations|To the list of examples]] or to the [[The_VASP_Manual|main page]] | ||
[[Category:Examples]] | [[Category:Examples]] | ||
Revision as of 12:28, 26 February 2017
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