NELM
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 (ALGO), LDIAG, and the mixing-parameters.