PSGen-1.6.0

 PSgen arguments: 
 -element Mo -xc PBE -smooth_v -bound l=0:rc=1.60 -bound l=1:rc=1.25
 -bound l=2:rc=1.50

 Bound state(s): 
   l=0: rc = 1.6
   l=1: rc = 1.25
   l=2: rc = 1.5

 Mo Z=42  [Kr] 4d5 5s1
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 2.381e-08 rmax = 49.466
 total charge: 42.000

 Full atom solution:

 Weighted sum of eigenvalues:     -2428.470134
 electron-nucleus energy:         -9757.243577
 Coulomb interaction energy:       1657.599289
 Exc-Vxc:                            37.450034
 Total energy:                    -4048.619389

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -728.470418    0.022749
  2     0  2.00 -102.884563    0.129436
  2     1  6.00  -91.975058    0.103317
  3     0  2.00  -17.512272    0.382672
  3     1  6.00  -13.936975    0.374545
  3     2 10.00   -8.120829    0.322291
  4     0  2.00   -2.364714    0.984020
  4     1  6.00   -1.414320    1.060795
  4     2  5.00   -0.137921    1.372456
  5     0  1.00   -0.150182    2.940607
 l=0 ic=159 rc: 1.600000
 l=1 ic=124 rc: 1.250000
 l=2 ic=149 rc: 1.500000
 dv: 9.039325
 eig: -0.150182 ae_eig: -0.150182 error: 3.208114e-09
 l = 0 ae_norm: 1.000003e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.690000e+00
 r[icn]: 2.410000e+00
 ae_outnorm: 8.238993e-01
 ps_outnorm: 8.157599e-01
 dl = -2.880026e-01
 outnorm error after correction: 2.163070e-11
 dv: 2.699887e+00
 eig: -1.414320e+00 ae_eig: -1.414320e+00 error: 1.474557e-09
 l = 1 ae_norm: 9.999989e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=4.200000e-01
 r[icn]: 1.880000e+00
 ae_outnorm: 8.930840e-02
 ps_outnorm: 6.859009e-02
 dl = -3.961668e-01
 outnorm error after correction: 2.100889e-11
 dv: -6.592726e-01
 eig: -1.379207e-01 ae_eig: -1.379207e-01 error: -6.399814e-10
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=7.200000e-01
 r[icn]: 2.250000e+00
 ae_outnorm: 3.130815e-01
 ps_outnorm: 3.291623e-01
 dl = 1.609044e-01
 outnorm error after correction: 2.542760e-11
 integral of charge density: 1.200000e+01
 smooth_v
 matching v polynomial at r=8.000000e-01
 l=0 eigenvalue correction: 3.582223e-05
 matching v polynomial at r=6.300000e-01
 l=1 eigenvalue correction: 2.841915e-03
 matching v polynomial at r=7.500000e-01
 l=2 eigenvalue correction: 8.030095e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.150182   -0.150200     -1.855739e-05
 l=1                   -1.414320   -1.413535      7.853680e-04
 l=2                   -0.137921   -0.138000     -7.899636e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.410      0.823899    0.823843      5.641646e-05
 l=1         1.880      0.089308    0.089550     -2.411124e-04
 l=2         2.250      0.313081    0.313125     -4.378123e-05
 truncating v[l=0] at i = 3341
 truncating v[l=1] at i = 3341
 truncating v[l=2] at i = 3341