&input title='Fe', atom ='Fe', rel=0, beta=0.2, rlderiv=2.5, eminld=-5.0, emaxld=5.0, deld=0.02d0, lsd=1 nld=3, iswitch=3, dft='BLYP', config='[Ar] 3d6 4s2', / &inputp pseudotype=2, lloc=2, tm=.true., file_pseudopw='Fe.BLYP.UPF', / 3 3P 2 1 6 0.00 0.8 0.8 1.5 4S 1 0 2 0.00 2.65 2.65 1.5 3D 3 2 6 0.00 1.2 1.2