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 Sciences

Attachment: TiO2_Anatase_HF2.in1
Description: Binary data


Attachment: TiO2_Anatase_HF2.scf1
Description: Binary data

Attachment: TiO2_Anatase_HF2.struct
Description: Binary data

Attachment: TiO2_Anatase_HF2.scf2
Description: Binary data

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