[Wien] semicore band-ranges too large problem

[Lyudmila Dobysheva]

On 02.03.2015 08:20, bayarr temuujin wrote:
> I am working on TiO2 Anatase and when i run SCF i get semicore
> band-ranges too large error. Wien2k version is 13.1. I have attached my
> in1, struct, scf files.

I cannot understand the problem.
But I have looked at the structure in xcrysden and IMHO it looks strange 
and the interatomic distances are unusual for oxides. Are you sure in 
the structure? Wikipedia gives another picture. See attachment.

Best wishes
   Lyudmila Dobysheva
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