PSGen-1.6.0

 PSgen arguments: 
 -element Sb -xc PBE -smooth_v -bound l=0:rc=1.30 -bound l=1:rc=1.40
 -scat l=2:rc=1.60

 Bound state(s): 
   l=0: rc = 1.3
   l=1: rc = 1.4
 Scattering state(s): 
   l=2: rc = 1.6, rmch = 4

 Sb Z=51  [Kr] 4d10 5s2 5p3
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 1.961e-08 rmax = 49.461
 total charge: 51.000

 Full atom solution:

 Weighted sum of eigenvalues:     -3947.898940
 electron-nucleus energy:        -15675.823617
 Coulomb interaction energy:       2585.455812
 Exc-Vxc:                            51.903862
 Total energy:                    -6481.450889

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00-1113.717721    0.018234
  2     0  2.00 -169.474813    0.103134
  2     1  6.00 -152.141972    0.083050
  3     0  2.00  -33.226151    0.298073
  3     1  6.00  -27.576610    0.291687
  3     2 10.00  -18.957814    0.242639
  4     0  2.00   -5.469560    0.716619
  4     1  6.00   -3.740608    0.756492
  4     2 10.00   -1.231384    0.843019
  5     0  2.00   -0.471527    1.878794
  5     1  3.00   -0.177427    2.333160

 Energy of l=2 scattering state set to -0.177427
 l=0 ic=129 rc: 1.300000
 l=1 ic=139 rc: 1.400000
 l=2 ic=159 rc: 1.600000
 dv: 11.137331
 eig: -0.471527 ae_eig: -0.471527 error: 9.619727e-08
 l = 0 ae_norm: 1.000010e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=7.900000e-01
 r[icn]: 1.960000e+00
 ae_outnorm: 5.962754e-01
 ps_outnorm: 5.257105e-01
 dl = -8.593386e-01
 outnorm error after correction: 1.895500e-09
 dv: 8.157797e+00
 eig: -1.774273e-01 ae_eig: -1.774273e-01 error: -4.136594e-09
 l = 1 ae_norm: 9.999996e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=1.090000e+00
 r[icn]: 2.100000e+00
 ae_outnorm: 7.562084e-01
 ps_outnorm: 7.281480e-01
 dl = -5.953182e-01
 outnorm error after correction: -3.713976e-10
 rmch=4.000000e+00
 r[imch]=3.990000e+00
 u_scatt_ae[l=2] at rmch: 1.137097e+00
 u_scatt_pseudo[l=2] at imch: 1.137097e+00
 u_scatt_ae[l=2] at imch: 1.137097e+00
 l = 2 ae_scat_norm: 9.407280e-01
 l = 2 ps_scat_norm: 9.308785e-01
 dl = 1.254084e+00
 scatt_norm error after correction: -1.743163e-10
 integral of charge density: 5.000000e+00
 smooth_v
 matching v polynomial at r=6.500000e-01
 l=0 eigenvalue correction: -4.719637e-04
 matching v polynomial at r=7.000000e-01
 l=1 eigenvalue correction: -1.185991e-05
 matching v polynomial at r=8.000000e-01
 l=2 eigenvalue correction: 4.683021e-07

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.471527   -0.471903     -3.765596e-04
 l=1                   -0.177427   -0.177356      7.154041e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.960      0.596275    0.595598      6.769523e-04
 l=1         2.100      0.756208    0.756275     -6.674270e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.177427   -0.177399      2.809425e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         4.000      0.940728    0.940678      4.998405e-05
 truncating v[l=0] at i = 3067
 truncating v[l=1] at i = 3067
 truncating v[l=2] at i = 3067