1 &input 2 title='O', 3 prefix='O/ld1' 4 zed=8, 5 config='[He] 2s2 2p4 3d-2', 6 iswitch=3, 7 dft='PBE', 8 nld=3 9 eminld=-4, 10 emaxld=4, 11 deld=0.01d0 12 rlderiv=1.65 13 / 14 &inputp 15 lloc=2, 16 pseudotype=3, 17 nlcc=.true. 18 new_core_ps=.true. 19 rcore=1.1 20 file_pseudopw='O.pbe-paw_kj.UPF' 21 author='"Lorenzo Paulatto" <paulatto@sissa.it>' 22 lpaw = .true. 23 which_augfun='BESSEL' 24 rmatch_augfun=1.30 25 file_screen='O/ld1.scr' 26 tm=.true. 27!nX n l occ nrg rmin rcut 28 / 295 302S 1 0 2.00 0.00 1.00 1.35 312S 1 0 0.00 0.05 1.00 1.35 322P 2 1 4.00 0.00 1.00 1.55 332P 2 1 0.00 0.05 1.00 1.55 343D 3 2 -2.00 0.15 1.30 1.30 35