PSGen-1.6.1

 PSgen arguments: 
 -element Cu -xc LDA -smooth_v -bound l=0:rc=1.15 -bound l=1:rc=0.95
 -bound l=2:rc=1.05

 Bound state(s): 
   l=0: rc = 1.15
   l=1: rc = 0.95
   l=2: rc = 1.05

 Cu Z=29  [Ar] 3d10 4s1
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 3.448e-08 rmax = 49.475
 total charge: 29.000

 Full atom solution:

 Weighted sum of eigenvalues:      -955.659812
 electron-nucleus energy:         -3981.145218
 Coulomb interaction energy:        717.636702
 Exc-Vxc:                            21.037345
 Total energy:                    -1652.259168

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -324.620847    0.033817
  2     0  2.00  -38.969224    0.196839
  2     1  6.00  -33.678572    0.157731
  3     0  2.00   -4.194967    0.608477
  3     1  6.00   -2.647133    0.614929
  3     2 10.00   -0.195673    0.595776
  4     0  1.00   -0.178771    2.250344
 l=0 ic=114 rc: 1.150000
 l=1 ic=94 rc: 0.950000
 l=2 ic=104 rc: 1.050000
 dv: 12.130324
 eig: -0.178771 ae_eig: -0.178771 error: 1.085416e-08
 l = 0 ae_norm: 1.000002e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.200000e+00
 r[icn]: 1.730000e+00
 ae_outnorm: 8.586799e-01
 ps_outnorm: 8.498553e-01
 dl = -3.328106e-01
 outnorm error after correction: 9.589995e-11
 dv: -3.103708e+00
 eig: -2.647133e+00 ae_eig: -2.647133e+00 error: 7.049648e-09
 l = 1 ae_norm: 9.999995e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=3.000000e-01
 r[icn]: 1.430000e+00
 ae_outnorm: 3.351610e-02
 ps_outnorm: 3.871417e-02
 dl = 1.932604e-01
 outnorm error after correction: 5.222441e-12
 dv: -7.130442e+00
 eig: -1.956727e-01 ae_eig: -1.956732e-01 error: 5.210837e-07
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=4.900000e-01
 r[icn]: 1.580000e+00
 ae_outnorm: 1.643991e-01
 ps_outnorm: 2.722648e-01
 dl = 1.379914e+00
 outnorm error after correction: -8.517362e-09
 integral of charge density: 1.700000e+01
 smooth_v
 matching v polynomial at r=5.800000e-01
 l=0 eigenvalue correction: -1.347747e-06
 matching v polynomial at r=4.800000e-01
 l=1 eigenvalue correction: 2.011814e-03
 matching v polynomial at r=5.300000e-01
 l=2 eigenvalue correction: -1.548900e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.178771   -0.178710      6.075474e-05
 l=1                   -2.647133   -2.645198      1.935065e-03
 l=2                   -0.195673   -0.195780     -1.070000e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.730      0.858680    0.858728     -4.785977e-05
 l=1         1.430      0.033516    0.033578     -6.164532e-05
 l=2         1.580      0.164399    0.164299      1.000821e-04
 truncating v[l=0] at i = 1702
 truncating v[l=1] at i = 1702
 truncating v[l=2] at i = 1702