PSGen-1.6.0

 PSgen arguments: 
 -element Au -xc PBE -smooth_v -bound l=0:rc=1.35 -bound l=1:rc=1.15
 -bound l=2:rc=1.15

 Bound state(s): 
   l=0: rc = 1.35
   l=1: rc = 1.15
   l=2: rc = 1.15

 Au Z=79  [Xe] 4f14 5d10 6s1
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 1.266e-08 rmax = 49.451
 total charge: 79.000

 Full atom solution:

 Weighted sum of eigenvalues:    -11737.524089
 electron-nucleus energy:        -47313.772210
 Coulomb interaction energy:       7386.221428
 Exc-Vxc:                           111.874607
 Total energy:                   -19011.870910

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00-2968.926049    0.010325
  2     0  2.00 -523.822425    0.059814
  2     1  6.00 -452.767779    0.049572
  3     0  2.00 -123.634962    0.168984
  3     1  6.00 -103.029822    0.168984
  3     2 10.00  -81.043341    0.136987
  4     0  2.00  -26.835015    0.378549
  4     1  6.00  -20.080111    0.400049
  4     2 10.00  -11.976524    0.408988
  4     3 14.00   -2.981172    0.374390
  5     0  2.00   -3.982491    0.838686
  5     1  6.00   -2.196962    0.947067
  5     2 10.00   -0.252734    1.207656
  6     0  1.00   -0.211760    2.292159
 l=0 ic=134 rc: 1.350000
 l=1 ic=114 rc: 1.150000
 l=2 ic=114 rc: 1.150000
 dv: 13.293763
 eig: -0.211760 ae_eig: -0.211760 error: 5.227111e-08
 l = 0 ae_norm: 1.000000e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.330000e+00
 r[icn]: 2.030000e+00
 ae_outnorm: 7.817162e-01
 ps_outnorm: 7.549379e-01
 dl = -6.646003e-01
 outnorm error after correction: 9.522205e-11
 dv: 4.644619e+00
 eig: -2.196962e+00 ae_eig: -2.196962e+00 error: -2.117852e-08
 l = 1 ae_norm: 9.999897e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=3.700000e-01
 r[icn]: 1.730000e+00
 ae_outnorm: 5.397027e-02
 ps_outnorm: 3.540557e-02
 dl = -5.254969e-01
 outnorm error after correction: 5.044033e-10
 dv: 2.852153e+00
 eig: -2.527341e-01 ae_eig: -2.527340e-01 error: -6.651902e-09
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=5.700000e-01
 r[icn]: 1.730000e+00
 ae_outnorm: 3.519470e-01
 ps_outnorm: 3.217615e-01
 dl = -3.023807e-01
 outnorm error after correction: 4.192674e-10
 integral of charge density: 1.700000e+01
 smooth_v
 matching v polynomial at r=6.800000e-01
 l=0 eigenvalue correction: 4.713939e-05
 matching v polynomial at r=5.800000e-01
 l=1 eigenvalue correction: -9.370687e-05
 matching v polynomial at r=5.800000e-01
 l=2 eigenvalue correction: 3.230859e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.211760   -0.211792     -3.216168e-05
 l=1                   -2.196962   -2.197620     -6.583972e-04
 l=2                   -0.252734   -0.252731      3.513119e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.030      0.781716    0.781738     -2.152790e-05
 l=1         1.730      0.053970    0.053941      2.902524e-05
 l=2         1.730      0.351947    0.352056     -1.089533e-04
 truncating v[l=0] at i = 2798
 truncating v[l=1] at i = 2798
 truncating v[l=2] at i = 2798