NELM: Difference between revisions
No edit summary |
|||
| Line 9: | Line 9: | ||
{{TAG|NELMIN}} | {{TAG|NELMIN}} | ||
{{sc|NELM|Examples|Examples that use this tag}} | |||
{{ | |||
---- | ---- | ||
[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]] | [[Category:INCAR]] | ||
Revision as of 10:43, 20 March 2017
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.