[Wien] w2web

[Peter Blaha]

>    cycle 2     (19/19 to go)
> >   lapw0      (16:15:29) 18.0u 0.1s 0:18 96% 0+0k 0+1io 0pf+0w
> >   lapw1 -it  (16:15:48) 5.7u 0.8s 0:06 98% 0+0k 5+0io 5pf+0w

You selected iterative diagonalization! (-it)
You should not do that. This option is only for very big cases and even
there one has to be carefull, because scf convergence is not guaranteed
and has to be checked seperately.

                                     P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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