PSGen-1.6.1

 PSgen arguments: 
 -element Ar -xc LDA -smooth_v -bound l=0:rc=0.7 -bound l=1:rc=0.9
 -scat l=2:rc=1.2

 Bound state(s): 
   l=0: rc = 0.7
   l=1: rc = 0.9
 Scattering state(s): 
   l=2: rc = 1.2, rmch = 3

 Ar Z=18  [Ne] 3s2 3p6
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 5.556e-08 rmax = 49.487
 total charge: 18.000

 Full atom solution:

 Weighted sum of eigenvalues:      -305.125745
 electron-nucleus energy:         -1260.777111
 Coulomb interaction energy:        232.139727
 Exc-Vxc:                             9.458390
 Total energy:                     -527.807082

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -114.304199    0.056046
  2     0  2.00  -10.877065    0.336951
  2     1  6.00   -8.448312    0.279884
  3     0  2.00   -0.891634    1.160969
  3     1  6.00   -0.381679    1.287040

 Energy of l=2 scattering state set to -0.381679
 l=0 ic=69 rc: 0.700000
 l=1 ic=89 rc: 0.900000
 l=2 ic=119 rc: 1.200000
 dv: 28.820393
 eig: -0.891634 ae_eig: -0.891634 error: -1.324662e-07
 l = 0 ae_norm: 1.000004e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=6.500000e-01
 r[icn]: 1.050000e+00
 ae_outnorm: 7.397703e-01
 ps_outnorm: 7.300515e-01
 dl = -2.086657e-01
 outnorm error after correction: 2.534972e-12
 dv: 7.040910e+00
 eig: -3.816791e-01 ae_eig: -3.816792e-01 error: 2.921151e-08
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=5.000000e-01
 r[icn]: 1.350000e+00
 ae_outnorm: 6.208525e-01
 ps_outnorm: 5.969834e-01
 dl = -3.023130e-01
 outnorm error after correction: 3.030459e-10
 rmch=3.000000e+00
 r[imch]=2.990000e+00
 u_scatt_ae[l=2] at rmch: 1.334680e+00
 u_scatt_pseudo[l=2] at imch: 1.334680e+00
 u_scatt_ae[l=2] at imch: 1.334680e+00
 l = 2 ae_scat_norm: 8.925096e-01
 l = 2 ps_scat_norm: 8.883007e-01
 dl = 2.322237e-01
 scatt_norm error after correction: 4.714451e-11
 integral of charge density: 8.000000e+00
 smooth_v
 matching v polynomial at r=3.500000e-01
 l=0 eigenvalue correction: 2.782448e-05
 matching v polynomial at r=4.500000e-01
 l=1 eigenvalue correction: -3.202223e-05
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: 2.207042e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.891634   -0.891577      5.738371e-05
 l=1                   -0.381679   -0.381688     -8.344069e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.050      0.739770    0.739792     -2.210155e-05
 l=1         1.350      0.620853    0.620830      2.278844e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.381679   -0.381668      1.107179e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.000      0.892510    0.892498      1.114752e-05
 truncating v[l=0] at i = 812
 truncating v[l=1] at i = 812
 truncating v[l=2] at i = 812