&input atom='Ca', rel=1, config='[Ar] 3d0 4s0 4p0', iswitch=3, dft='PBE' / &inputp pseudotype=1, lloc=2 nlcc =.true., file_pseudopw='Ca.pbe-nsp-1.UPF', rho0=0.01 / 3 3S 1 0 2.00 0.00 1.20 1.20 3P 2 1 6.00 0.00 1.30 1.30 3D 3 2 0.00 0.00 1.40 1.40