&input title='Fe' prefix='Fe/ld1', zed=26, config='[Ar] 4s2 3d6 4p0' iswitch=3, dft='PBE' nld=3, eminld=-10, emaxld=10 deld=0.01d0, rlderiv=2.3, / &inputp pseudotype=3, nlcc=.true., new_core_ps = .true. rcore=1.2000 lloc=-2, rcloc=2.2000 file_pseudopw='Fe.pbe-paw_kj.UPF' zval=8 lpaw=.true. lnc2paw=.false. which_augfun ='BESSEL' rmatch_augfun= 2.3000 author='"Lorenzo Paulatto" ' tm = .true. !nX n l occ nrg rmin rcut / 6 3D 3 2 6.00 0.00 1.50 2.2000 3D 3 2 0.00 -0.40 1.50 2.2000 4S 1 0 2.00 0.00 1.50 2.2000 4S 1 0 0.00 0.30 1.50 2.2000 4P 2 1 0.00 0.00 1.50 2.2000 4P 2 1 0.00 0.70 1.50 2.2000