Dear Prof.Blaha * I am running wien version 13 on a machine of type 8 cores with
operating system Linux version 3.1.0-7.fc16.x86_64 , fortran compiler ifort and math libraries cc. The purpose of my calculations is to get quantity structure and optic. I am running this case (KTiOPO4.struct) - The purpose of my calculations is to get quantity structure nd optic. - I am running this case (KTiOPO4.struct) using this input · Certainly give things like XC potential = GGA13,PBEsol,YSPBE0 &YSPBE0(with opt alpha) &… rkmax = 6.5, size of · k-mesh = 2*4*2) · But obtain different laatice constants with experimental of them Please help me *Best regards* -- Marzieh Ghoohestani PhD Student of Computational Nano Physics Nano Research Center, Department of Physics University of Technology, Isfahan, Iran
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