save btw runs?? (Re: [Wien] e-test: subscript out of range)

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Thu Jul 3 17:48:20 CEST 2003


> > This problem disappears as soon as the 3th iteration is started.
Therefore,
> > I have by default to run an scf-cycle by
> >
> > run_lapw -i 1
> > run_lapw -i 1
> > run_lapw -cc 0.00001 etc.,
> >
>
> I'm still not sure about this, but shouldn't one always save_lapw between
> run_lapw's?

Yes, sure. But this was just a trick to overcome an unwanted behaviour (the
3 run_lapw's here count effectively as just 1).

Stefaan




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