PSGen-1.6.0

 PSgen arguments: 
 -element Tl -xc PBE -smooth_v -bound l=0:rc=1.60 -bound l=1:rc=1.60
 -bound l=2:rc=1.60

 Bound state(s): 
   l=0: rc = 1.6
   l=1: rc = 1.6
   l=2: rc = 1.6

 Tl Z=81  [Xe] 4f14 5d10 6s2 6p1
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 1.235e-08 rmax = 49.450
 total charge: 81.000

 Full atom solution:

 Weighted sum of eigenvalues:    -12542.154908
 electron-nucleus energy:        -50500.449274
 Coulomb interaction energy:       7820.658762
 Exc-Vxc:                           116.867816
 Total energy:                   -20245.945853

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00-3147.166928    0.010002
  2     0  2.00 -560.338343    0.058062
  2     1  6.00 -481.837720    0.048109
  3     0  2.00 -133.748333    0.162420
  3     1  6.00 -111.160363    0.162420
  3     2 10.00  -87.788476    0.133098
  4     0  2.00  -29.852214    0.368226
  4     1  6.00  -22.449993    0.384884
  4     2 10.00  -13.781815    0.393493
  4     3 14.00   -4.190336    0.356208
  5     0  2.00   -4.814194    0.807569
  5     1  6.00   -2.796517    0.902022
  5     2 10.00   -0.569096    1.112981
  6     0  2.00   -0.350818    2.067743
  6     1  1.00   -0.087112    2.913480
 l=0 ic=159 rc: 1.600000
 l=1 ic=159 rc: 1.600000
 l=2 ic=159 rc: 1.600000
 dv: 6.429476
 eig: -0.350818 ae_eig: -0.350818 error: -2.230626e-08
 l = 0 ae_norm: 9.999987e-01
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.000000e-02
 r[icn]: 2.410000e+00
 ae_outnorm: 4.724631e-01
 ps_outnorm: 3.594257e-01
 dl = -9.664314e-01
 outnorm error after correction: -2.639247e-09
 dv: 6.781479e+00
 eig: -8.711198e-02 ae_eig: -8.711198e-02 error: 6.483765e-11
 l = 1 ae_norm: 9.999994e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=1.420000e+00
 r[icn]: 2.410000e+00
 ae_outnorm: 8.274347e-01
 ps_outnorm: 8.064104e-01
 dl = -6.208209e-01
 outnorm error after correction: -7.609707e-10
 dv: -1.958679e+00
 eig: -5.690958e-01 ae_eig: -5.690958e-01 error: 5.790601e-09
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=6.800000e-01
 r[icn]: 2.410000e+00
 ae_outnorm: 5.671974e-02
 ps_outnorm: 7.288786e-02
 dl = 4.362625e-01
 outnorm error after correction: -5.293207e-10
 integral of charge density: 1.300000e+01
 smooth_v
 matching v polynomial at r=8.000000e-01
 l=0 eigenvalue correction: -1.452935e-03
 matching v polynomial at r=8.000000e-01
 l=1 eigenvalue correction: 2.815421e-05
 matching v polynomial at r=8.000000e-01
 l=2 eigenvalue correction: 8.235261e-03

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.350818   -0.353305     -2.486978e-03
 l=1                   -0.087112   -0.086926      1.861591e-04
 l=2                   -0.569096   -0.565731      3.364626e-03
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.410      0.472463    0.467653      4.809726e-03
 l=1         2.410      0.827435    0.827179      2.553079e-04
 l=2         2.410      0.056720    0.057402     -6.823141e-04
 truncating v[l=0] at i = 3999
 truncating v[l=1] at i = 3999
 truncating v[l=2] at i = 3999