PSGen-1.6.0

 PSgen arguments: 
 -element Nb -xc PBE -smooth_v -bound l=0:rc=1.65 -bound l=1:rc=1.30
 -bound l=2:rc=1.55

 Bound state(s): 
   l=0: rc = 1.65
   l=1: rc = 1.3
   l=2: rc = 1.55

 Nb Z=41  [Kr] 4d4 5s1
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 2.439e-08 rmax = 49.467
 total charge: 41.000

 Full atom solution:

 Weighted sum of eigenvalues:     -2287.103041
 electron-nucleus energy:         -9202.229543
 Coulomb interaction energy:       1568.477677
 Exc-Vxc:                            35.968581
 Total energy:                    -3819.612137

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -691.202920    0.023443
  2     0  2.00  -96.681774    0.133128
  2     1  6.00  -86.326918    0.106291
  3     0  2.00  -16.131227    0.393110
  3     1  6.00  -12.746200    0.388918
  3     2 10.00   -7.213559    0.331146
  4     0  2.00   -2.145937    1.031674
  4     1  6.00   -1.268628    1.112074
  4     2  4.00   -0.111731    1.485396
  5     0  1.00   -0.146340    3.079229
 l=0 ic=164 rc: 1.650000
 l=1 ic=129 rc: 1.300000
 l=2 ic=154 rc: 1.550000
 dv: 8.820487
 eig: -0.146340 ae_eig: -0.146340 error: 1.488110e-09
 l = 0 ae_norm: 1.000003e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.780000e+00
 r[icn]: 2.480000e+00
 ae_outnorm: 8.330390e-01
 ps_outnorm: 8.289101e-01
 dl = -1.609941e-01
 outnorm error after correction: -2.562428e-11
 dv: 2.423562e+00
 eig: -1.268628e+00 ae_eig: -1.268628e+00 error: 3.145824e-10
 l = 1 ae_norm: 9.999991e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=4.400000e-01
 r[icn]: 1.960000e+00
 ae_outnorm: 9.486771e-02
 ps_outnorm: 7.377893e-02
 dl = -3.879267e-01
 outnorm error after correction: -1.072377e-11
 dv: -4.876091e-01
 eig: -1.117312e-01 ae_eig: -1.117312e-01 error: -9.598183e-12
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=7.600000e-01
 r[icn]: 2.330000e+00
 ae_outnorm: 3.627837e-01
 ps_outnorm: 3.763059e-01
 dl = 1.323401e-01
 outnorm error after correction: -6.396383e-12
 integral of charge density: 1.100000e+01
 smooth_v
 matching v polynomial at r=8.300000e-01
 l=0 eigenvalue correction: 2.897995e-05
 matching v polynomial at r=6.500000e-01
 l=1 eigenvalue correction: 2.735141e-03
 matching v polynomial at r=7.800000e-01
 l=2 eigenvalue correction: 6.013581e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.146340   -0.146332      7.609395e-06
 l=1                   -1.268628   -1.267713      9.141724e-04
 l=2                   -0.111731   -0.111817     -8.564440e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.480      0.833039    0.832993      4.554542e-05
 l=1         1.960      0.094868    0.095154     -2.861020e-04
 l=2         2.330      0.362784    0.362716      6.732419e-05
 truncating v[l=0] at i = 3565
 truncating v[l=1] at i = 3565
 truncating v[l=2] at i = 3565