PSGen-1.6.1

 PSgen arguments: 
 -element Mo -xc LDA -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 = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 2.381e-08 rmax = 49.466
 total charge: 42.000

 Full atom solution:

 Weighted sum of eigenvalues:     -2426.065580
 electron-nucleus energy:         -9751.307185
 Coulomb interaction energy:       1657.165576
 Exc-Vxc:                            38.813200
 Total energy:                    -4044.417956

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -727.460602    0.022749
  2     0  2.00 -102.768664    0.129436
  2     1  6.00  -91.942921    0.103317
  3     0  2.00  -17.471837    0.382672
  3     1  6.00  -13.924473    0.374545
  3     2 10.00   -8.133333    0.318851
  4     0  2.00   -2.367505    0.984020
  4     1  6.00   -1.418092    1.060795
  4     2  5.00   -0.144607    1.387265
  5     0  1.00   -0.159085    2.909216
 l=0 ic=159 rc: 1.600000
 l=1 ic=124 rc: 1.250000
 l=2 ic=149 rc: 1.500000
 dv: 8.987924
 eig: -0.159085 ae_eig: -0.159085 error: -5.914142e-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: 8.180275e-01
 ps_outnorm: 8.099908e-01
 dl = -2.779469e-01
 outnorm error after correction: -2.490175e-11
 dv: 2.626309e+00
 eig: -1.418092e+00 ae_eig: -1.418092e+00 error: 7.777495e-09
 l = 1 ae_norm: 9.999988e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=4.200000e-01
 r[icn]: 1.880000e+00
 ae_outnorm: 8.982071e-02
 ps_outnorm: 6.929797e-02
 dl = -3.896080e-01
 outnorm error after correction: 2.421509e-10
 dv: -7.155602e-01
 eig: -1.446070e-01 ae_eig: -1.446070e-01 error: 1.481707e-10
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=7.300000e-01
 r[icn]: 2.250000e+00
 ae_outnorm: 3.158180e-01
 ps_outnorm: 3.334768e-01
 dl = 1.775021e-01
 outnorm error after correction: 1.819778e-11
 integral of charge density: 1.200000e+01
 smooth_v
 matching v polynomial at r=8.000000e-01
 l=0 eigenvalue correction: 9.302036e-06
 matching v polynomial at r=6.300000e-01
 l=1 eigenvalue correction: -5.810023e-04
 matching v polynomial at r=7.500000e-01
 l=2 eigenvalue correction: 1.065824e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.159085   -0.159125     -3.969463e-05
 l=1                   -1.418092   -1.418662     -5.697845e-04
 l=2                   -0.144607   -0.144556      5.049067e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.410      0.818028    0.818016      1.124910e-05
 l=1         1.880      0.089821    0.089740      8.041076e-05
 l=2         2.250      0.315818    0.315986     -1.676095e-04
 truncating v[l=0] at i = 1025
 truncating v[l=1] at i = 1025
 truncating v[l=2] at i = 1025