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
TiO2_Anatase_HF2.in1
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TiO2_Anatase_HF2.scf1
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TiO2_Anatase_HF2.struct
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TiO2_Anatase_HF2.scf2
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