[Wien] Different questions

[Stefaan Cottenier]

> >I noticed in checking through the *.scf* files
> that I had a small (approx. 1.5) QTL-B value (changed 0.3 by 0.8 in the
> *.in1 default
> file because EF= 0.95 - Blaha' suggestion).
> 
> It's always better to have no QTL-B at all, but I think such a small value
> can be accepted if the results look reasonable.

In contrast to LAPW, APW+lo (which I assume you are using) can tolerate 
moderate QTL-B values. 1.5 is not a problem at all, I assume.

Stefaan