[Wien] QTL-B VALUE

[Stefaan Cottenier]

> Dear Wien users. I am doing slab calculation on MoO3 (100) surface
> generated from the orthorhombic (Pnma) MoO3 structure. My slab has
> the P 21/m (unique axis C) symmetry. When I perform scf calculation I
> get the following message: QTL-B VALUE EQ. 1.92245 !!!!!!!!!!. Is
> this mean that I have ghost bands? Or I have to add local orbital as
> suggested by the manual? 

With APW+lo, such relatively small QTL-B are allowed, as told already 
several times on this mailing list.

To the authors: wouldn't it be good to adapt (or even delete) this 
ghost-band example in the UG? It seems it attracts too much attention 
now, while the problem almost never happens any more. Also the FAQ 
could list a QTL-B item, telling also when *not* to worry.

Stefaan