PSGen-1.6.0

 PSgen arguments: 
 -element Xe -xc PBE -smooth_v -bound l=0:rc=1.00 -bound l=1:rc=1.20
 -scat l=2:rc=1.30

 Bound state(s): 
   l=0: rc = 1
   l=1: rc = 1.2
 Scattering state(s): 
   l=2: rc = 1.3, rmch = 3.25

 Xe Z=54  [Kr] 4d10 5s2 5p6
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 1.852e-08 rmax = 49.460
 total charge: 54.000

 Full atom solution:

 Weighted sum of eigenvalues:     -4571.444344
 electron-nucleus energy:        -18025.450442
 Coulomb interaction energy:       2932.876200
 Exc-Vxc:                            57.019262
 Total energy:                    -7447.301281

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00-1263.200359    0.017098
  2     0  2.00 -196.591592    0.096103
  2     1  6.00 -176.393497    0.077343
  3     0  2.00  -40.210943    0.278531
  3     1  6.00  -33.688532    0.272548
  3     2 10.00  -24.019481    0.224161
  4     0  2.00   -7.256435    0.656769
  4     1  6.00   -5.191496    0.693412
  4     2 10.00   -2.182303    0.748171
  5     0  2.00   -0.725509    1.617389
  5     1  6.00   -0.302613    1.903486

 Energy of l=2 scattering state set to -0.302613
 l=0 ic=99 rc: 1.000000
 l=1 ic=119 rc: 1.200000
 l=2 ic=129 rc: 1.300000
 dv: 27.752378
 eig: -0.725509 ae_eig: -0.725509 error: -5.735236e-07
 l = 0 ae_norm: 1.000015e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=9.800000e-01
 r[icn]: 1.500000e+00
 ae_outnorm: 7.123103e-01
 ps_outnorm: 6.927295e-01
 dl = -4.522986e-01
 outnorm error after correction: 1.170044e-10
 dv: 1.315344e+01
 eig: -3.026127e-01 ae_eig: -3.026126e-01 error: -1.058301e-07
 l = 1 ae_norm: 9.999992e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=9.500000e-01
 r[icn]: 1.800000e+00
 ae_outnorm: 7.078596e-01
 ps_outnorm: 6.760340e-01
 dl = -6.104768e-01
 outnorm error after correction: -9.695242e-10
 rmch=3.250000e+00
 r[imch]=3.240000e+00
 u_scatt_ae[l=2] at rmch: 1.227450e+00
 u_scatt_pseudo[l=2] at imch: 1.227450e+00
 u_scatt_ae[l=2] at imch: 1.227450e+00
 l = 2 ae_scat_norm: 9.104281e-01
 l = 2 ps_scat_norm: 8.963066e-01
 dl = 1.621915e+00
 scatt_norm error after correction: -2.354237e-10
 integral of charge density: 8.000000e+00
 smooth_v
 matching v polynomial at r=5.000000e-01
 l=0 eigenvalue correction: 2.830018e-05
 matching v polynomial at r=6.000000e-01
 l=1 eigenvalue correction: -2.394202e-05
 matching v polynomial at r=6.500000e-01
 l=2 eigenvalue correction: 7.050557e-07

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.725509   -0.725456      5.245642e-05
 l=1                   -0.302613   -0.302618     -5.731471e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.500      0.712310    0.712342     -3.134302e-05
 l=1         1.800      0.707860    0.707831      2.838750e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.302613   -0.302599      1.327334e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.250      0.910428    0.910421      6.587196e-06
 truncating v[l=0] at i = 2453
 truncating v[l=1] at i = 2453
 truncating v[l=2] at i = 2453