PSGen-1.6.1

 PSgen arguments: 
 -element Ca -xc LDA -smooth_v -bound l=0:rc=1.6 -bound l=1:rc=0.8
 -scat l=2:rc=1.2:rmch=5.0

 Bound state(s): 
   l=0: rc = 1.6
   l=1: rc = 0.8
 Scattering state(s): 
   l=2: rc = 1.2, rmch = 5

 Ca Z=20  [Ar] 4s2
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 5.000e-08 rmax = 49.485
 total charge: 20.000

 Full atom solution:

 Weighted sum of eigenvalues:      -403.472367
 electron-nucleus energy:         -1613.550031
 Coulomb interaction energy:        286.290479
 Exc-Vxc:                            11.073896
 Total energy:                     -678.688949

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -144.719655    0.050347
  2     0  2.00  -15.181889    0.299206
  2     1  6.00  -12.295799    0.245737
  3     0  2.00   -1.720690    0.985077
  3     1  6.00   -1.028131    1.037457
  4     0  2.00   -0.142159    3.311083

 Energy of l=2 scattering state set to -0.142159
 l=0 ic=159 rc: 1.600000
 l=1 ic=79 rc: 0.800000
 l=2 ic=119 rc: 1.200000
 dv: 10.000117
 eig: -0.142159 ae_eig: -0.142159 error: 1.431584e-09
 l = 0 ae_norm: 1.000001e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.870000e+00
 r[icn]: 2.410000e+00
 ae_outnorm: 8.839727e-01
 ps_outnorm: 8.967295e-01
 dl = 9.122338e-01
 outnorm error after correction: -1.340331e-09
 dv: 8.787080e+00
 eig: -1.028131e+00 ae_eig: -1.028131e+00 error: -2.123875e-08
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=4.100000e-01
 r[icn]: 1.210000e+00
 ae_outnorm: 4.940065e-01
 ps_outnorm: 4.646308e-01
 dl = -3.261378e-01
 outnorm error after correction: 5.198759e-10
 rmch=5.000000e+00
 r[imch]=4.990000e+00
 u_scatt_ae[l=2] at rmch: 7.023246e-01
 u_scatt_pseudo[l=2] at imch: 7.023246e-01
 u_scatt_ae[l=2] at imch: 7.023246e-01
 l = 2 ae_scat_norm: 9.744645e-01
 l = 2 ps_scat_norm: 9.266702e-01
 dl = 6.929557e-01
 scatt_norm error after correction: -2.313934e-09
 integral of charge density: 8.000000e+00
 smooth_v
 matching v polynomial at r=8.000000e-01
 l=0 eigenvalue correction: -2.425920e-06
 matching v polynomial at r=4.000000e-01
 l=1 eigenvalue correction: -7.749291e-05
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: 4.055544e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.142159   -0.142158      4.417324e-07
 l=1                   -1.028131   -1.028154     -2.269289e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.410      0.883973    0.883969      3.289602e-06
 l=1         1.210      0.494007    0.493977      2.928434e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.142159   -0.142102      5.638980e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         5.000      0.974465    0.973668      7.965777e-04
 truncating v[l=0] at i = 1578
 truncating v[l=1] at i = 1578
 truncating v[l=2] at i = 1578