&input title='Br', zed=35., rel=1, config='[Ar] 3d10.0 4s2.0 4p5.0 4d-2.0' iswitch=3, dft='LDA' / &inputp lloc=2, pseudotype=2, file_pseudopw='Br.pz-rrkj.UPF', author='ADC', / 3 4S 1 0 2.00 0.00 2.00 2.00 1 4P 2 1 5.00 0.00 1.80 1.80 1 4D 3 2 -2.00 0.20 1.80 1.80 1