&input title='Ir', zed=77., rel=1, config='[Xe] 4f14.0 5d7.0 6s2.0 6p0.0', iswitch=3, dft='PBE' / &inputp lloc=0, pseudotype=3, file_pseudopw='Ir.pbe-rrkjus.UPF', nlcc=.true., rcore=0.9, author='ADC', / 4 6P 2 1 0.00 -0.10 3.60 3.60 1 5D 3 2 7.00 0.00 1.90 2.30 1 5D 3 2 0.00 -0.20 1.90 2.30 1 6S 1 0 2.00 0.00 2.70 2.70 1