PSGen-1.6.0

 PSgen arguments: 
 -element Ar -xc PBE -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 = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 5.556e-08 rmax = 49.487
 total charge: 18.000

 Full atom solution:

 Weighted sum of eigenvalues:      -305.908866
 electron-nucleus energy:         -1262.764504
 Coulomb interaction energy:        232.360597
 Exc-Vxc:                             9.039588
 Total energy:                     -529.229875

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -114.671005    0.056046
  2     0  2.00  -10.914200    0.336951
  2     1  6.00   -8.448153    0.279884
  3     0  2.00   -0.892528    1.173000
  3     1  6.00   -0.377414    1.287040

 Energy of l=2 scattering state set to -0.377414
 l=0 ic=69 rc: 0.700000
 l=1 ic=89 rc: 0.900000
 l=2 ic=119 rc: 1.200000
 dv: 28.660473
 eig: -0.892528 ae_eig: -0.892528 error: 3.522796e-07
 l = 0 ae_norm: 1.000004e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=6.600000e-01
 r[icn]: 1.050000e+00
 ae_outnorm: 7.409037e-01
 ps_outnorm: 7.302444e-01
 dl = -2.280751e-01
 outnorm error after correction: 6.097345e-13
 dv: 6.546164e+00
 eig: -3.774137e-01 ae_eig: -3.774137e-01 error: 2.013740e-10
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=5.300000e-01
 r[icn]: 1.350000e+00
 ae_outnorm: 6.211468e-01
 ps_outnorm: 6.006859e-01
 dl = -2.681150e-01
 outnorm error after correction: 1.563475e-10
 rmch=3.000000e+00
 r[imch]=2.990000e+00
 u_scatt_ae[l=2] at rmch: 1.338220e+00
 u_scatt_pseudo[l=2] at imch: 1.338220e+00
 u_scatt_ae[l=2] at imch: 1.338220e+00
 l = 2 ae_scat_norm: 8.918725e-01
 l = 2 ps_scat_norm: 8.873945e-01
 dl = 2.481670e-01
 scatt_norm error after correction: -9.685586e-13
 integral of charge density: 8.000000e+00
 smooth_v
 matching v polynomial at r=3.500000e-01
 l=0 eigenvalue correction: -3.829532e-05
 matching v polynomial at r=4.500000e-01
 l=1 eigenvalue correction: -1.615282e-04
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: 4.865381e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.892528   -0.892389      1.393408e-04
 l=1                   -0.377414   -0.377433     -1.931019e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.050      0.740904    0.740910     -6.744076e-06
 l=1         1.350      0.621147    0.621048      9.855232e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.377414   -0.377366      4.795046e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.000      0.891873    0.891829      4.305185e-05
 truncating v[l=0] at i = 2157
 truncating v[l=1] at i = 2157
 truncating v[l=2] at i = 2157