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NELMIN

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NELMIN = [integer]
Default: NELMIN = 2 

Description: NELMIN specifies the minimum number of electronic SCF 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 Sections

NELM, NELMDL

Examples that use this tag