PSGen-1.6.1

 PSgen arguments: 
 -element Ru -xc LDA -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 = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 2.273e-08 rmax = 49.465
 total charge: 44.000

 Full atom solution:

 Weighted sum of eigenvalues:     -2721.725903
 electron-nucleus energy:        -10923.262976
 Coulomb interaction energy:       1846.521018
 Exc-Vxc:                            41.969983
 Total energy:                    -4526.276938

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -805.125445    0.021662
  2     0  2.00 -115.790594    0.122395
  2     1  6.00 -103.777711    0.097649
  3     0  2.00  -20.371301    0.358826
  3     1  6.00  -16.423752    0.354987
  3     2 10.00  -10.050926    0.298864
  4     0  2.00   -2.809146    0.904916
  4     1  6.00   -1.709884    0.975678
  4     2  7.00   -0.198510    1.209848
  5     0  1.00   -0.166020    2.710639
 l=0 ic=154 rc: 1.550000
 l=1 ic=114 rc: 1.150000
 l=2 ic=144 rc: 1.450000
 dv: 8.466776
 eig: -0.166020 ae_eig: -0.166020 error: 2.844428e-10
 l = 0 ae_norm: 1.000003e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.530000e+00
 r[icn]: 2.330000e+00
 ae_outnorm: 7.906743e-01
 ps_outnorm: 7.687115e-01
 dl = -5.593469e-01
 outnorm error after correction: -7.337819e-11
 dv: 3.401366e+00
 eig: -1.709884e+00 ae_eig: -1.709884e+00 error: 8.635696e-09
 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: 8.428536e-02
 ps_outnorm: 6.351303e-02
 dl = -4.132765e-01
 outnorm error after correction: 4.600299e-11
 dv: -1.265927e+00
 eig: -1.985097e-01 ae_eig: -1.985097e-01 error: -9.892023e-11
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=6.800000e-01
 r[icn]: 2.180000e+00
 ae_outnorm: 2.262262e-01
 ps_outnorm: 2.514690e-01
 dl = 2.832739e-01
 outnorm error after correction: 2.769174e-13
 integral of charge density: 1.400000e+01
 smooth_v
 matching v polynomial at r=7.800000e-01
 l=0 eigenvalue correction: 6.552333e-06
 matching v polynomial at r=5.800000e-01
 l=1 eigenvalue correction: -1.030588e-03
 matching v polynomial at r=7.300000e-01
 l=2 eigenvalue correction: 1.505123e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.166020   -0.166074     -5.334287e-05
 l=1                   -1.709884   -1.710872     -9.880722e-04
 l=2                   -0.198510   -0.198425      8.431107e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.330      0.790674    0.790634      4.025017e-05
 l=1         1.730      0.084285    0.084172      1.134427e-04
 l=2         2.180      0.226226    0.226377     -1.512089e-04
 truncating v[l=0] at i = 871
 truncating v[l=1] at i = 871
 truncating v[l=2] at i = 871