&input title='B', zed=5.0, rel=2, iswitch=3, config='[He] 2s2.0 2p1.0 3d-2.0', dft='PBE', / &inputp lloc=2, pseudotype=3, file_pseudopw='B.rel-pbe-rrkjus.UPF', author='ADC', / 8 2S 1 0 2.00 0.00 1.70 1.90 0.5 2S 1 0 0.00 0.05 1.70 1.90 0.5 2P 2 1 1.00 0.00 1.60 1.80 0.5 2P 2 1 0.00 0.05 1.60 1.80 0.5 2P 2 1 0.00 0.00 1.60 1.80 1.5 2P 2 1 0.00 0.05 1.60 1.80 1.5 3D 3 2 -2.00 0.15 1.60 1.60 1.5 3D 3 2 -2.00 0.15 1.60 1.60 2.5