PSGen-1.6.0

 PSgen arguments: 
 -element Ru -xc PBE -smooth_v -bound l=0:rc=1.55 -bound l=1:rc=1.15
 -bound l=2:rc=1.45

 Bound state(s): 
   l=0: rc = 1.55
   l=1: rc = 1.15
   l=2: rc = 1.45

 Ru Z=44  [Kr] 4d7 5s1
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 2.273e-08 rmax = 49.465
 total charge: 44.000

 Full atom solution:

 Weighted sum of eigenvalues:     -2724.225729
 electron-nucleus energy:        -10929.687477
 Coulomb interaction energy:       1847.044918
 Exc-Vxc:                            40.518001
 Total energy:                    -4530.752646

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -806.192284    0.021662
  2     0  2.00 -115.913378    0.122395
  2     1  6.00 -103.811422    0.097649
  3     0  2.00  -20.412249    0.358826
  3     1  6.00  -16.435177    0.351190
  3     2 10.00  -10.036845    0.298864
  4     0  2.00   -2.806593    0.904916
  4     1  6.00   -1.705763    0.975678
  4     2  7.00   -0.191184    1.209848
  5     0  1.00   -0.155807    2.710639
 l=0 ic=154 rc: 1.550000
 l=1 ic=114 rc: 1.150000
 l=2 ic=144 rc: 1.450000
 dv: 8.490345
 eig: -0.155807 ae_eig: -0.155807 error: 1.268308e-07
 l = 0 ae_norm: 1.000003e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.540000e+00
 r[icn]: 2.330000e+00
 ae_outnorm: 7.973372e-01
 ps_outnorm: 7.757153e-01
 dl = -5.638878e-01
 outnorm error after correction: 1.339262e-11
 dv: 3.480802e+00
 eig: -1.705763e+00 ae_eig: -1.705763e+00 error: -1.103162e-08
 l = 1 ae_norm: 9.999983e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=3.900000e-01
 r[icn]: 1.730000e+00
 ae_outnorm: 8.390799e-02
 ps_outnorm: 6.295984e-02
 dl = -4.192783e-01
 outnorm error after correction: 5.551290e-11
 dv: -1.216043e+00
 eig: -1.911843e-01 ae_eig: -1.911843e-01 error: -1.249134e-10
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=6.700000e-01
 r[icn]: 2.180000e+00
 ae_outnorm: 2.236221e-01
 ps_outnorm: 2.474604e-01
 dl = 2.676682e-01
 outnorm error after correction: -6.944223e-12
 integral of charge density: 1.400000e+01
 smooth_v
 matching v polynomial at r=7.800000e-01
 l=0 eigenvalue correction: 3.025021e-05
 matching v polynomial at r=5.800000e-01
 l=1 eigenvalue correction: 2.288073e-03
 matching v polynomial at r=7.300000e-01
 l=2 eigenvalue correction: 1.200241e-03

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.155807   -0.155899     -9.169609e-05
 l=1                   -1.705763   -1.705823     -5.950718e-05
 l=2                   -0.191184   -0.191190     -6.060249e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.330      0.797337    0.797181      1.562169e-04
 l=1         1.730      0.083908    0.084015     -1.066750e-04
 l=2         2.180      0.223622    0.223820     -1.976786e-04
 truncating v[l=0] at i = 3233
 truncating v[l=1] at i = 3233
 truncating v[l=2] at i = 3233