NELMIN: Difference between revisions
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{{TAGDEF|NELMIN|2}} | {{TAGDEF|NELMIN|2}} | ||
Description: specifies the minimum number of electronic SC steps. | Description: {{TAG|NELMIN}} specifies the minimum number of electronic SC steps. | ||
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Generally you do not need to change this setting. In some cases (for instance [[Molecular_dynamics|MD]] runs, or [[Ionic_relaxation|ionic relaxation]]) you might set {{TAG|NELMIN}} to a larger value (4 to 8). | Generally you do not need to change this setting. In some cases (for instance [[Molecular_dynamics|MD]] runs, or [[Ionic_relaxation|ionic relaxation]]) you might set {{TAG|NELMIN}} to a larger value (4 to 8). | ||