&input title='S', zed=16.0, rel=1, config='[Ne] 3s2.0 3p4.0 3d-2.0' iswitch=3, dft='LDA', / &inputp lloc=2, pseudotype=2, file_pseudopw='S.pz-rrkj.UPF', author='ADC', / 3 3S 1 0 2.00 0.00 1.90 1.90 3P 2 1 4.00 0.00 2.10 2.10 3D 3 2 -2.00 0.25 1.90 1.90