PSGen-1.6.0

 PSgen arguments: 
 -element Fe -xc PBE -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 = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 3.846e-08 rmax = 49.478
 total charge: 26.000

 Full atom solution:

 Weighted sum of eigenvalues:      -750.859624
 electron-nucleus energy:         -3042.693289
 Coulomb interaction energy:        538.116432
 Exc-Vxc:                            16.526271
 Total energy:                    -1272.449784

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -257.205742    0.038195
  2     0  2.00  -30.124389    0.220301
  2     1  6.00  -25.667700    0.178598
  3     0  2.00   -3.455091    0.698687
  3     1  6.00   -2.206534    0.706057
  3     2  6.00   -0.275801    0.706057
  4     0  2.00   -0.194482    2.409934
 l=0 ic=129 rc: 1.300000
 l=1 ic=104 rc: 1.050000
 l=2 ic=119 rc: 1.200000
 dv: 9.771163
 eig: -0.194482 ae_eig: -0.194482 error: -5.947170e-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: 8.211220e-01
 ps_outnorm: 8.087222e-01
 dl = -3.753906e-01
 outnorm error after correction: -2.302591e-11
 dv: -1.786014e+00
 eig: -2.206534e+00 ae_eig: -2.206534e+00 error: -3.342033e-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: 3.912933e-02
 ps_outnorm: 4.246351e-02
 dl = 1.112238e-01
 outnorm error after correction: 3.988754e-13
 dv: -5.221926e+00
 eig: -2.758012e-01 ae_eig: -2.758012e-01 error: -1.328934e-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: 1.405490e-01
 ps_outnorm: 2.308892e-01
 dl = 1.273631e+00
 outnorm error after correction: -1.998529e-09
 integral of charge density: 1.400000e+01
 smooth_v
 matching v polynomial at r=6.500000e-01
 l=0 eigenvalue correction: -2.108953e-05
 matching v polynomial at r=5.300000e-01
 l=1 eigenvalue correction: 1.309241e-02
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: -8.631264e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.194482   -0.194222      2.604779e-04
 l=1                   -2.206534   -2.196437      1.009759e-02
 l=2                   -0.275801   -0.277742     -1.941263e-03
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.960      0.821122    0.821296     -1.740929e-04
 l=1         1.580      0.039129    0.039631     -5.020122e-04
 l=2         1.800      0.140549    0.139559      9.898182e-04
 truncating v[l=0] at i = 2973
 truncating v[l=1] at i = 2973
 truncating v[l=2] at i = 2973