NELMIN: Difference between revisions
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{{TAGDEF|NELMIN|2}} | {{TAGDEF|NELMIN|[integer]|2}} | ||
Description: {{TAG|NELMIN}} specifies the minimum number of electronic SC steps. | Description: {{TAG|NELMIN}} specifies the minimum number of electronic SC steps. | ||
Revision as of 12:36, 31 January 2011
NELMIN = [integer]
Default: NELMIN = 2
Description: NELMIN specifies the minimum number of electronic SC 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).