PSGen-1.6.0

 PSgen arguments: 
 -element Pd -xc PBE -smooth_v -scat l=0:rc=1.20 -bound l=1:rc=0.95
 -bound l=2:rc=1.20

 Bound state(s): 
   l=1: rc = 0.95
   l=2: rc = 1.2
 Scattering state(s): 
   l=0: rc = 1.2, rmch = 3

 Pd Z=46  [Kr] 4d10
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 2.174e-08 rmax = 49.464
 total charge: 46.000

 Full atom solution:

 Weighted sum of eigenvalues:     -3032.202238
 electron-nucleus energy:        -12193.338486
 Coulomb interaction energy:       2057.475071
 Exc-Vxc:                            43.785860
 Total energy:                    -5045.891449

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -888.098091    0.020640
  2     0  2.00 -129.661416    0.115783
  2     1  6.00 -116.245684    0.093331
  3     0  2.00  -23.374807    0.340197
  3     1  6.00  -18.965080    0.332942
  3     2 10.00  -11.962057    0.280204
  4     0  2.00   -3.135885    0.850361
  4     1  6.00   -1.881528    0.907170
  4     2 10.00   -0.148752    1.089591

 Energy of l=0 scattering state set to -0.148752
 l=0 ic=119 rc: 1.200000
 l=1 ic=94 rc: 0.950000
 l=2 ic=119 rc: 1.200000
 dv: 7.854872
 eig: -1.881528 ae_eig: -1.881528 error: 9.914765e-09
 l = 1 ae_norm: 9.999976e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=3.500000e-01
 r[icn]: 1.430000e+00
 ae_outnorm: 1.483924e-01
 ps_outnorm: 1.097678e-01
 dl = -5.397750e-01
 outnorm error after correction: -5.591827e-11
 dv: -5.975251e-01
 eig: -1.487519e-01 ae_eig: -1.487519e-01 error: -1.533518e-11
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=5.700000e-01
 r[icn]: 1.800000e+00
 ae_outnorm: 3.026430e-01
 ps_outnorm: 3.121125e-01
 dl = 9.366405e-02
 outnorm error after correction: -7.508050e-12
 rmch=3.000000e+00
 r[imch]=2.990000e+00
 u_scatt_ae[l=0] at rmch: 8.876867e-01
 u_scatt_pseudo[l=0] at imch: 8.876867e-01
 u_scatt_ae[l=0] at imch: 8.876867e-01
 l = 0 ae_scat_norm: 9.757912e-01
 l = 0 ps_scat_norm: 9.527230e-01
 dl = 1.210812e+00
 scatt_norm error after correction: -2.098951e-10
 integral of charge density: 1.600000e+01
 smooth_v
 matching v polynomial at r=6.000000e-01
 l=0 eigenvalue correction: 1.067645e-05
 matching v polynomial at r=4.800000e-01
 l=1 eigenvalue correction: -2.145357e-03
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: 1.481168e-03

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=1                   -1.881528   -1.885831     -4.302808e-03
 l=2                   -0.148752   -0.148761     -9.101870e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=1         1.430      0.148392    0.147912      4.803260e-04
 l=2         1.800      0.302643    0.303225     -5.816816e-04

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.148752   -0.149373     -6.208109e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         3.000      0.975791    0.976119     -3.276102e-04
 truncating v[l=0] at i = 3100
 truncating v[l=1] at i = 3100
 truncating v[l=2] at i = 3100