NELMIN: Difference between revisions

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 runs, or) you might set NELMIN to a larger value (4 to 8).

@@ Line 3: / Line 3: @@
 Description: {{TAG|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|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 [[Category:Molecular Dynamics]] runs, or [[Category:Ionic Relaxation]]) you might set {{TAG|NELMIN}} to a larger value (4 to 8).
 == Related Tags and Sections ==