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 [[:Category:Molecular Dynamics]] runs, or [[:Category:Ionic | 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 {{TAG|NELMIN}} to a larger value (4 to 8). | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 10:33, 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 Category:Molecular Dynamics runs, or Category:Ionic Minimization Methods) you might set NELMIN to a larger value (4 to 8).