Fcc Ir: a0=3.90 A, B0=340 GPa (exp: a0=3.84 A, B0=320 GPa) Generated using the following data (espresso v 3.1): &input atom='Ir', rel=1, iswitch=3, rlderiv=2.50, eminld=-4.0, emaxld=4.0, deld=0.02, nld=5, config='[Xe] 4f14 5d7 6s2 6p0', dft='PBE' / &inputp pseudotype=3, lloc=0, file_pseudopw='Ir.pbe-n-rrkjus.UPF', nlcc=.true., rcore=1.2, rcloc=2.5 / 4 5D 3 2 7.00 0.00 2.10 2.40 5D 3 2 0.00 -0.20 2.10 2.40 6P 2 1 0.00 0.00 2.40 2.40 6S 1 0 2.00 0.00 2.60 2.60