Re: [Wien] semicore band-ranges too large problem

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

[Wien] semicore band-ranges too large problem

Dear All, 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. Please help me on this. Best regards,Temuujin Bayaraa Researcher Institute of Physics and Technology, Mongolian Academy of Scien