NELMIN: Difference between revisions
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Revision as of 11:12, 3 March 2019
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).