NELMIN

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Revision as of 14:37, 6 April 2022 by Huebsch (talk | contribs)

NELMIN = [integer]
Default: NELMIN = 2 

Description: NELMIN specifies the minimum number of electronic self-consistency steps.


Generally, you do not need to change this setting. In some cases (for instance Category:Molecular Dynamics runs, or Category:Ionic Minimization Methods) you might set NELMIN to a larger value (4 to 8).

Related tags and articles

NELM, NELMDL

Examples that use this tag