PSGen-1.6.1

 PSgen arguments: 
 -element Fe -xc LDA -smooth_v -bound l=0:rc=1.30 -bound l=1:rc=1.05
 -bound l=2:rc=1.20

 Bound state(s): 
   l=0: rc = 1.3
   l=1: rc = 1.05
   l=2: rc = 1.2

 Fe Z=26  [Ar] 3d6 4s2
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 3.846e-08 rmax = 49.478
 total charge: 26.000

 Full atom solution:

 Weighted sum of eigenvalues:      -749.482511
 electron-nucleus energy:         -3039.672327
 Coulomb interaction energy:        537.939033
 Exc-Vxc:                            17.236264
 Total energy:                    -1270.185280

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -256.631205    0.038195
  2     0  2.00  -30.057362    0.222624
  2     1  6.00  -25.651118    0.178598
  3     0  2.00   -3.436470    0.698687
  3     1  6.00   -2.202249    0.706057
  3     2  6.00   -0.284809    0.706057
  4     0  2.00   -0.201690    2.384779
 l=0 ic=129 rc: 1.300000
 l=1 ic=104 rc: 1.050000
 l=2 ic=119 rc: 1.200000
 dv: 9.809249
 eig: -0.201690 ae_eig: -0.201690 error: -1.724619e-09
 l = 0 ae_norm: 1.000002e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.310000e+00
 r[icn]: 1.960000e+00
 ae_outnorm: 8.170320e-01
 ps_outnorm: 8.051324e-01
 dl = -3.569597e-01
 outnorm error after correction: -9.492318e-11
 dv: -1.854243e+00
 eig: -2.202249e+00 ae_eig: -2.202249e+00 error: 1.394569e-10
 l = 1 ae_norm: 9.999998e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=3.300000e-01
 r[icn]: 1.580000e+00
 ae_outnorm: 3.989777e-02
 ps_outnorm: 4.358025e-02
 dl = 1.208768e-01
 outnorm error after correction: 3.226100e-13
 dv: -5.252333e+00
 eig: -2.848091e-01 ae_eig: -2.848091e-01 error: 9.698116e-09
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=5.500000e-01
 r[icn]: 1.800000e+00
 ae_outnorm: 1.409312e-01
 ps_outnorm: 2.323198e-01
 dl = 1.292938e+00
 outnorm error after correction: -2.523592e-08
 integral of charge density: 1.400000e+01
 smooth_v
 matching v polynomial at r=6.500000e-01
 l=0 eigenvalue correction: 6.069942e-06
 matching v polynomial at r=5.300000e-01
 l=1 eigenvalue correction: 1.855204e-03
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: 2.738482e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.201690   -0.201661      2.858606e-05
 l=1                   -2.202249   -2.200934      1.315187e-03
 l=2                   -0.284809   -0.285041     -2.319583e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.960      0.817032    0.817060     -2.775897e-05
 l=1         1.580      0.039898    0.039967     -6.935379e-05
 l=2         1.800      0.140931    0.140820      1.115612e-04
 truncating v[l=0] at i = 630
 truncating v[l=1] at i = 630
 truncating v[l=2] at i = 630