NELMIN: Difference between revisions
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Description: {{TAG|NELMIN}} specifies the minimum number of electronic SCF steps. | Description: {{TAG|NELMIN}} specifies the minimum number of electronic SCF steps. | ||
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Generally you do not need to change this setting. In some cases (for instance [[ | Generally you do not need to change this setting. In some cases (for instance [[Molecular Dynamics]] runs, or [[Ionic Relaxation]]) you might set {{TAG|NELMIN}} to a larger value (4 to 8). | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 10:31, 19 April 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 Molecular Dynamics runs, or Ionic Relaxation) you might set NELMIN to a larger value (4 to 8).