NELM: Difference between revisions
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{{sc|NELM|Examples|Examples that use this tag}} | {{sc|NELM|Examples|Examples that use this tag}} | ||
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[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Electronic Minimization Methods]] | [[Category:INCAR]][[Category:Electronic Minimization]][[Category:Electronic Minimization Methods]] | ||
Revision as of 10:30, 19 April 2019
NELM = [integer]
Default: NELM = 60
Description: NELM sets the maximum number of electronic SC (selfconsistency) steps which may be performed.
Normally, there is no need to change the default value: if the self-consistency loop does not converge within 40 steps, it will probably not converge at all. In this case you should reconsider the tags IALGO or ALGO, LSUBROT, and the mixing-parameters.