PSGen-1.6.0

 PSgen arguments: 
 -element Th -xc PBE -smooth_v -bound l=0:rc=1.90 -bound l=1:rc=1.80
 -bound l=2:rc=1.70

 Bound state(s): 
   l=0: rc = 1.9
   l=1: rc = 1.8
   l=2: rc = 1.7

 Th Z=90  [Rn] 6d2 7s2
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 1.111e-08 rmax = 49.447
 total charge: 90.000

 Full atom solution:

 Weighted sum of eigenvalues:    -16713.736809
 electron-nucleus energy:        -66734.417448
 Coulomb interaction energy:       9874.089890
 Exc-Vxc:                           140.213384
 Total energy:                   -26447.613316

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00-4044.772991    0.008406
  2     0  2.00 -750.027750    0.049753
  2     1  6.00 -627.311854    0.042114
  3     0  2.00 -187.980978    0.139861
  3     1  6.00 -153.736404    0.143004
  3     2 10.00 -123.113134    0.117076
  4     0  2.00  -47.265247    0.311323
  4     1  6.00  -36.074796    0.332790
  4     2 10.00  -24.498754    0.336509
  4     3 14.00  -12.105412    0.294495
  5     0  2.00  -10.409851    0.655531
  5     1  6.00   -7.003164    0.732588
  5     2 10.00   -3.340357    0.827851
  6     0  2.00   -1.686324    1.411333
  6     1  6.00   -0.857322    1.667357
  6     2  2.00   -0.113354    2.406060
  7     0  2.00   -0.162189    3.510841
 l=0 ic=189 rc: 1.900000
 l=1 ic=179 rc: 1.800000
 l=2 ic=169 rc: 1.700000
 dv: 11.296587
 eig: -0.162189 ae_eig: -0.162189 error: 4.402454e-08
 l = 0 ae_norm: 9.999965e-01
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=2.190000e+00
 r[icn]: 2.850000e+00
 ae_outnorm: 8.338986e-01
 ps_outnorm: 8.446905e-01
 dl = 5.908069e-01
 outnorm error after correction: -5.399559e-11
 dv: 3.071087e+00
 eig: -8.573218e-01 ae_eig: -8.573218e-01 error: -1.935733e-09
 l = 1 ae_norm: 9.999966e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=6.100000e-01
 r[icn]: 2.700000e+00
 ae_outnorm: 1.003498e-01
 ps_outnorm: 6.240563e-02
 dl = -6.996641e-01
 outnorm error after correction: 1.593542e-10
 dv: 3.976318e+00
 eig: -1.133536e-01 ae_eig: -1.133536e-01 error: -3.578445e-09
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=1.040000e+00
 r[icn]: 2.550000e+00
 ae_outnorm: 6.314008e-01
 ps_outnorm: 5.891835e-01
 dl = -5.966605e-01
 outnorm error after correction: 6.141421e-11
 integral of charge density: 1.000000e+01
 smooth_v
 matching v polynomial at r=9.500000e-01
 l=0 eigenvalue correction: 7.805872e-07
 matching v polynomial at r=9.000000e-01
 l=1 eigenvalue correction: -1.834871e-03
 matching v polynomial at r=8.500000e-01
 l=2 eigenvalue correction: -2.583637e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.162189   -0.162224     -3.589701e-05
 l=1                   -0.857322   -0.858194     -8.717449e-04
 l=2                   -0.113354   -0.113160      1.937594e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.850      0.833899    0.834059     -1.603621e-04
 l=1         2.700      0.100350    0.099952      3.980811e-04
 l=2         2.550      0.631401    0.632090     -6.891594e-04
 truncating v[l=0] at i = 3600
 truncating v[l=1] at i = 3600
 truncating v[l=2] at i = 3600