PSGen-1.6.0

 PSgen arguments: 
 -element La -xc PBE -smooth_v -bound l=0:rc=2.20 -bound l=1:rc=1.90
 -bound l=2:rc=1.80

 Bound state(s): 
   l=0: rc = 2.2
   l=1: rc = 1.9
   l=2: rc = 1.8

 La Z=57  [Xe] 5d1 6s2
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 1.754e-08 rmax = 49.459
 total charge: 57.000

 Full atom solution:

 Weighted sum of eigenvalues:     -5275.535089
 electron-nucleus energy:        -20554.412211
 Coulomb interaction energy:       3279.887662
 Exc-Vxc:                            62.137353
 Total energy:                    -8493.285398

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00-1424.131218    0.016047
  2     0  2.00 -226.706745    0.090587
  2     1  6.00 -203.179987    0.072865
  3     0  2.00  -48.489976    0.257571
  3     1  6.00  -40.978395    0.254783
  3     2 10.00  -30.189826    0.209448
  4     0  2.00   -9.792166    0.602055
  4     1  6.00   -7.349785    0.628849
  4     2 10.00   -3.816352    0.671291
  5     0  2.00   -1.430438    1.407264
  5     1  6.00   -0.823200    1.586270
  5     2  1.00   -0.113570    2.198871
  6     0  2.00   -0.135224    3.789404
 l=0 ic=219 rc: 2.200000
 l=1 ic=189 rc: 1.900000
 l=2 ic=179 rc: 1.800000
 dv: 5.299454
 eig: -0.135224 ae_eig: -0.135224 error: -1.144463e-09
 l = 0 ae_norm: 1.000002e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=2.260000e+00
 r[icn]: 3.300000e+00
 ae_outnorm: 7.736517e-01
 ps_outnorm: 7.573839e-01
 dl = -4.483919e-01
 outnorm error after correction: -6.088952e-11
 dv: 1.442231e+00
 eig: -8.232002e-01 ae_eig: -8.232002e-01 error: -4.330203e-12
 l = 1 ae_norm: 9.999983e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=6.200000e-01
 r[icn]: 2.850000e+00
 ae_outnorm: 6.295043e-02
 ps_outnorm: 4.407325e-02
 dl = -4.727839e-01
 outnorm error after correction: 7.571317e-11
 dv: 1.522338e+00
 eig: -1.135696e-01 ae_eig: -1.135696e-01 error: 4.602576e-10
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=9.700000e-01
 r[icn]: 2.700000e+00
 ae_outnorm: 5.132469e-01
 ps_outnorm: 4.808526e-01
 dl = -3.526437e-01
 outnorm error after correction: -1.750244e-10
 integral of charge density: 9.000000e+00
 smooth_v
 matching v polynomial at r=1.100000e+00
 l=0 eigenvalue correction: 2.927769e-05
 matching v polynomial at r=9.500000e-01
 l=1 eigenvalue correction: 2.030187e-03
 matching v polynomial at r=9.000000e-01
 l=2 eigenvalue correction: 9.423545e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.135224   -0.135199      2.455700e-05
 l=1                   -0.823200   -0.822530      6.705300e-04
 l=2                   -0.113570   -0.113905     -3.354350e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         3.300      0.773652    0.773569      8.269298e-05
 l=1         2.850      0.062950    0.063208     -2.573880e-04
 l=2         2.700      0.513247    0.512276      9.709036e-04
 truncating v[l=0] at i = 3638
 truncating v[l=1] at i = 3638
 truncating v[l=2] at i = 3638