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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 MD runs, or ionic relaxation) you might set NELMIN to a larger value (4 to 8).

Related Tags and Sections

NELM, NELMDL

Examples that use this tag


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