1 &input 2 title='Br' 3 zed=35. 4 rel=2, 5 config='[Ar] 3d10.0 4s2.0 4p5.0 4d-2.0' 6 iswitch=3, 7 dft='LDA' 8 / 9 &inputp 10 lloc=2, 11 pseudotype=2, 12 file_pseudopw='Br.rel-pz-rrkj.UPF', 13 author='ADC', 14 / 155 164S 1 0 2.00 0.00 2.00 2.00 0.50 174P 2 1 2.00 0.00 1.80 1.80 0.50 184P 2 1 3.00 0.00 1.80 1.80 1.50 194D 3 2 -2.00 0.20 1.80 1.80 1.50 204D 3 2 -2.00 0.20 1.80 1.80 2.50 21