Dear QE users I want to do relax calculation for a structure consist of N, C, H, S and Au atoms. My caclulation should be Nonlinear and Fully-Relativictic. I choose these pseudopotentials for my calculation:S.rel-pz-n-rrkjus_psl.0.1.UPF,N.rel-pz-n-rrkjus_psl.0.1.UPF, H.rel-pz-rrkjus_psl.0.1.UPF, C.rel-pz-n-rrkjus_psl.0.1.UPF and Au.rel-pz-dn-rrkjus_psl.0.1.UPF. In reality, I don't know if I have to use fully relativistic PP for ALL elements in my structure and if I can use different PP for my calculation. Could you help me please?
Best Regards -- Khadije Khalili Ph.D Student of Solid-State Physics Department of Physics University of Mazandaran Babolsar, Iran kh.khalili at stu.umz.ac.ir
