PSGen-1.6.1

 PSgen arguments: 
 -element O -xc LDA -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=0.8

 Bound state(s): 
   l=0: rc = 0.8
   l=1: rc = 0.8

 O Z=8  1s2 2s2 2p4
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 1.250e-07 rmax = 49.507
 total charge: 8.000

 Full atom solution:

 Weighted sum of eigenvalues:       -40.647400
 electron-nucleus energy:          -177.374602
 Coulomb interaction energy:         36.348778
 Exc-Vxc:                             2.471277
 Total energy:                      -74.524902

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00  -18.774777    0.128751
  2     0  2.00   -0.872889    0.870660
  2     1  4.00   -0.338017    0.812347
 l=0 ic=79 rc: 0.800000
 l=1 ic=79 rc: 0.800000
 dv: 4.989285
 eig: -0.872889 ae_eig: -0.872889 error: -1.847027e-09
 l = 0 ae_norm: 1.000001e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.000000e-02
 r[icn]: 1.210000e+00
 ae_outnorm: 3.808424e-01
 ps_outnorm: 3.320504e-01
 dl = -3.719446e-01
 outnorm error after correction: 7.006712e-11
 dv: -3.088375e+00
 eig: -3.380171e-01 ae_eig: -3.380171e-01 error: 1.166974e-08
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=3.300000e-01
 r[icn]: 1.210000e+00
 ae_outnorm: 4.375424e-01
 ps_outnorm: 4.716253e-01
 dl = 3.089648e-01
 outnorm error after correction: 1.299127e-12
 integral of charge density: 6.000000e+00
 smooth_v
 matching v polynomial at r=4.000000e-01
 l=0 eigenvalue correction: -6.406060e-04
 matching v polynomial at r=4.000000e-01
 l=1 eigenvalue correction: 3.263385e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.872889   -0.873673     -7.833678e-04
 l=1                   -0.338017   -0.337819      1.980103e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.210      0.380842    0.380476      3.666538e-04
 l=1         1.210      0.437542    0.437776     -2.336240e-04
 truncating v[l=0] at i = 815
 truncating v[l=1] at i = 815