&input atom='Ti', rel=1, config='[Ne] 3s2.0 3p6 3d2.0 4s2.0', iswitch=3, dft='PBE' / &inputp lloc=-1, rcloc=1.0, pseudotype=3, file_pseudopw='Ti.pbe-rrkj.UPF', nlcc=.f., rho0=0.01 / 5 3P 3 1 6.00 0.00 1.10 1.80 1 3P 3 1 0.00 -1.00 1.10 1.80 1 3D 3 2 2.00 0.00 1.20 1.80 1 3D 3 2 0.00 -0.20 1.20 1.80 1 3S 3 0 2.00 0.00 1.00 1.80 1 &test configts(1)='3s2.0 3p6 3d2.0 4s2.0', /