PSGen-1.6.1

 PSgen arguments: 
 -element Rb -xc LDA -smooth_v -bound l=0:rc=2.20 -bound l=1:rc=1.60
 -scat l=2:rc=2.00

 Bound state(s): 
   l=0: rc = 2.2
   l=1: rc = 1.6
 Scattering state(s): 
   l=2: rc = 2, rmch = 5

 Rb Z=37  [Kr] 5s1
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 2.703e-08 rmax = 49.469
 total charge: 37.000

 Full atom solution:

 Weighted sum of eigenvalues:     -1758.588593
 electron-nucleus energy:         -7179.805573
 Coulomb interaction energy:       1250.615408
 Exc-Vxc:                            31.559827
 Total energy:                    -2977.644173

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -551.611308    0.026205
  2     0  2.00  -73.700245    0.149165
  2     1  6.00  -65.393756    0.119223
  3     0  2.00  -10.914499    0.447636
  3     1  6.00   -8.250917    0.442886
  3     2 10.00   -3.829749    0.389662
  4     0  2.00   -1.174703    1.246664
  4     1  6.00   -0.589107    1.416943
  5     0  1.00   -0.086912    4.207054

 Energy of l=2 scattering state set to -0.086912
 l=0 ic=219 rc: 2.200000
 l=1 ic=159 rc: 1.600000
 l=2 ic=199 rc: 2.000000
 dv: 3.962152
 eig: -0.086912 ae_eig: -0.086912 error: 3.449761e-09
 l = 0 ae_norm: 1.000001e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=2.330000e+00
 r[icn]: 3.300000e+00
 ae_outnorm: 8.447909e-01
 ps_outnorm: 8.386387e-01
 dl = -2.343163e-01
 outnorm error after correction: -9.126810e-12
 dv: 1.081027e+00
 eig: -5.891066e-01 ae_eig: -5.891066e-01 error: 2.535173e-10
 l = 1 ae_norm: 9.999997e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=5.700000e-01
 r[icn]: 2.410000e+00
 ae_outnorm: 1.477639e-01
 ps_outnorm: 1.252038e-01
 dl = -3.022629e-01
 outnorm error after correction: 6.225856e-11
 rmch=5.000000e+00
 r[imch]=4.990000e+00
 u_scatt_ae[l=2] at rmch: 8.437955e-01
 u_scatt_pseudo[l=2] at imch: 8.437955e-01
 u_scatt_ae[l=2] at imch: 8.437955e-01
 l = 2 ae_scat_norm: 9.383932e-01
 l = 2 ps_scat_norm: 9.302513e-01
 dl = 1.592477e-01
 scatt_norm error after correction: 1.677913e-11
 integral of charge density: 7.000000e+00
 smooth_v
 matching v polynomial at r=1.100000e+00
 l=0 eigenvalue correction: 6.732980e-06
 matching v polynomial at r=8.000000e-01
 l=1 eigenvalue correction: 9.622065e-05
 matching v polynomial at r=1.000000e+00
 l=2 eigenvalue correction: 6.910651e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.086912   -0.086912      3.384234e-07
 l=1                   -0.589107   -0.589104      3.125250e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         3.300      0.844791    0.844817     -2.584027e-05
 l=1         2.410      0.147764    0.147785     -2.124358e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.086912   -0.086917     -4.922656e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         5.000      0.938393    0.938388      5.000899e-06
 truncating v[l=0] at i = 3999
 truncating v[l=1] at i = 3999
 truncating v[l=2] at i = 3999