PSGen-1.6.1

 PSgen arguments: 
 -element Cl -xc LDA -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=1.0
 -scat l=2:rc=1.2

 Bound state(s): 
   l=0: rc = 0.8
   l=1: rc = 1
 Scattering state(s): 
   l=2: rc = 1.2, rmch = 3

 Cl Z=17  [Ne] 3s2 3p5
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 5.882e-08 rmax = 49.489
 total charge: 17.000

 Full atom solution:

 Weighted sum of eigenvalues:      -265.406953
 electron-nucleus energy:         -1098.544790
 Coulomb interaction energy:        203.311640
 Exc-Vxc:                             8.603141
 Total energy:                     -460.115452

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -100.765043    0.059509
  2     0  2.00   -9.250900    0.359674
  2     1  6.00   -7.042448    0.298913
  3     0  2.00   -0.760466    1.273705
  3     1  5.00   -0.319890    1.411614

 Energy of l=2 scattering state set to -0.319890
 l=0 ic=79 rc: 0.800000
 l=1 ic=99 rc: 1.000000
 l=2 ic=119 rc: 1.200000
 dv: 19.324027
 eig: -0.760466 ae_eig: -0.760466 error: -2.800269e-08
 l = 0 ae_norm: 1.000003e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=6.700000e-01
 r[icn]: 1.210000e+00
 ae_outnorm: 6.894157e-01
 ps_outnorm: 6.669443e-01
 dl = -3.822402e-01
 outnorm error after correction: 5.980005e-11
 dv: 5.290673e+00
 eig: -3.198895e-01 ae_eig: -3.198895e-01 error: -1.712672e-09
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=5.500000e-01
 r[icn]: 1.500000e+00
 ae_outnorm: 6.176103e-01
 ps_outnorm: 5.937539e-01
 dl = -2.977504e-01
 outnorm error after correction: -3.654310e-11
 rmch=3.000000e+00
 r[imch]=2.990000e+00
 u_scatt_ae[l=2] at rmch: 1.289865e+00
 u_scatt_pseudo[l=2] at imch: 1.289865e+00
 u_scatt_ae[l=2] at imch: 1.289865e+00
 l = 2 ae_scat_norm: 9.140512e-01
 l = 2 ps_scat_norm: 9.086722e-01
 dl = 2.509859e-01
 scatt_norm error after correction: 5.673872e-11
 integral of charge density: 7.000000e+00
 smooth_v
 matching v polynomial at r=4.000000e-01
 l=0 eigenvalue correction: 3.331947e-05
 matching v polynomial at r=5.000000e-01
 l=1 eigenvalue correction: -2.663014e-05
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: 1.979914e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.760466   -0.760412      5.381807e-05
 l=1                   -0.319890   -0.319899     -9.209866e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.210      0.689416    0.689445     -2.959066e-05
 l=1         1.500      0.617610    0.617585      2.536082e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.319890   -0.319878      1.121351e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.000      0.914051    0.914041      1.033085e-05
 truncating v[l=0] at i = 870
 truncating v[l=1] at i = 870
 truncating v[l=2] at i = 870