&input title='Se' zed=34. rel=1, config='[Ar] 3d10.0 4s2.0 4p4.0 4d-2.0' iswitch=3, dft='LDA' / &inputp lloc=2, pseudotype=2, file_pseudopw='Se.pz-rrkj.UPF', author='ADC', / 3 4S 1 0 2.00 0.00 2.00 2.00 1 4P 2 1 4.00 0.00 2.20 2.20 1 4D 3 2 -2.00 0.20 2.30 2.30 1