NELMIN

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Revision as of 14:53, 7 April 2022 by Huebsch (talk | contribs)

NELMIN = [integer]
Default: NELMIN = 2 

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


It is rarely necessary to change the value of the NELMIN tag. In some cases, e.g., in molecular-dynamics runs, or ionic-minimization methods), we recommend increasing the NELMIN tag to a value between 4 and 8.

Related tags and articles

NELM, NELMDL

Examples that use this tag