PSGen-1.6.0

 PSgen arguments: 
 -element Hf -xc PBE -smooth_v -bound l=0:rc=1.6 -bound l=1:rc=1.25
 -bound l=2:rc=1.6

 Bound state(s): 
   l=0: rc = 1.6
   l=1: rc = 1.25
   l=2: rc = 1.6

 Hf Z=72  [Xe] 4f14 5d2 6s2
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 1.389e-08 rmax = 49.453
 total charge: 72.000

 Full atom solution:

 Weighted sum of eigenvalues:     -9266.753299
 electron-nucleus energy:        -37200.270957
 Coulomb interaction energy:       5906.257265
 Exc-Vxc:                            94.793439
 Total energy:                   -15078.217124

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00-2399.305778    0.011813
  2     0  2.00 -410.322820    0.067933
  2     1  6.00 -360.257861    0.055118
  3     0  2.00  -93.493479    0.191085
  3     1  6.00  -78.539286    0.188994
  3     2 10.00  -60.851548    0.153342
  4     0  2.00  -18.835844    0.436101
  4     1  6.00  -13.930870    0.455721
  4     2 10.00   -7.595002    0.465860
  4     3 14.00   -0.618660    0.450735
  5     0  2.00   -2.462799    1.006297
  5     1  6.00   -1.307320    1.148323
  5     2  2.00   -0.098817    1.687716
  6     0  2.00   -0.187732    2.893536
 l=0 ic=159 rc: 1.600000
 l=1 ic=124 rc: 1.250000
 l=2 ic=159 rc: 1.600000
 dv: 9.777627
 eig: -0.187732 ae_eig: -0.187732 error: 2.989877e-08
 l = 0 ae_norm: 1.000002e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.700000e+00
 r[icn]: 2.410000e+00
 ae_outnorm: 8.105915e-01
 ps_outnorm: 8.021236e-01
 dl = -2.934081e-01
 outnorm error after correction: -1.581624e-12
 dv: 4.306253e+00
 eig: -1.307320e+00 ae_eig: -1.307320e+00 error: 2.929042e-09
 l = 1 ae_norm: 9.999946e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=4.400000e-01
 r[icn]: 1.880000e+00
 ae_outnorm: 1.280108e-01
 ps_outnorm: 9.158545e-02
 dl = -5.525795e-01
 outnorm error after correction: -6.804835e-10
 dv: 1.554135e-01
 eig: -9.881712e-02 ae_eig: -9.881712e-02 error: -9.471784e-12
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=8.000000e-01
 r[icn]: 2.410000e+00
 ae_outnorm: 4.379520e-01
 ps_outnorm: 4.325285e-01
 dl = -5.300362e-02
 outnorm error after correction: 3.835821e-14
 integral of charge density: 1.000000e+01
 smooth_v
 matching v polynomial at r=8.000000e-01
 l=0 eigenvalue correction: 5.791217e-05
 matching v polynomial at r=6.300000e-01
 l=1 eigenvalue correction: -6.040473e-04
 matching v polynomial at r=8.000000e-01
 l=2 eigenvalue correction: 5.758329e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.187732   -0.187881     -1.488798e-04
 l=1                   -1.307320   -1.308363     -1.042072e-03
 l=2                   -0.098817   -0.098565      2.516611e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.410      0.810592    0.810614     -2.231995e-05
 l=1         1.880      0.128011    0.127851      1.600739e-04
 l=2         2.410      0.437952    0.439119     -1.167356e-03
 truncating v[l=0] at i = 3693
 truncating v[l=1] at i = 3693
 truncating v[l=2] at i = 3693