PSGen-1.6.0

 PSgen arguments: 
 -element Cu -xc PBE -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 = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 3.448e-08 rmax = 49.475
 total charge: 29.000

 Full atom solution:

 Weighted sum of eigenvalues:      -957.188489
 electron-nucleus energy:         -3984.658069
 Coulomb interaction energy:        717.875424
 Exc-Vxc:                            20.214734
 Total energy:                    -1654.849179

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -325.274517    0.033817
  2     0  2.00  -39.045232    0.194774
  2     1  6.00  -33.698289    0.157731
  3     0  2.00   -4.215303    0.608477
  3     1  6.00   -2.651249    0.614929
  3     2 10.00   -0.185174    0.602093
  4     0  1.00   -0.169417    2.250344
 l=0 ic=114 rc: 1.150000
 l=1 ic=94 rc: 0.950000
 l=2 ic=104 rc: 1.050000
 dv: 12.081154
 eig: -0.169417 ae_eig: -0.169417 error: 5.272446e-09
 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: 8.625003e-01
 ps_outnorm: 8.533977e-01
 dl = -3.484715e-01
 outnorm error after correction: 1.233458e-11
 dv: -3.053242e+00
 eig: -2.651249e+00 ae_eig: -2.651249e+00 error: 2.034699e-08
 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: 3.296797e-02
 ps_outnorm: 3.791047e-02
 dl = 1.863192e-01
 outnorm error after correction: -2.859837e-12
 dv: -7.103847e+00
 eig: -1.851742e-01 ae_eig: -1.851742e-01 error: -2.900245e-08
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=4.800000e-01
 r[icn]: 1.580000e+00
 ae_outnorm: 1.638260e-01
 ps_outnorm: 2.707180e-01
 dl = 1.365100e+00
 outnorm error after correction: -1.962802e-08
 integral of charge density: 1.700000e+01
 smooth_v
 matching v polynomial at r=5.800000e-01
 l=0 eigenvalue correction: -2.300142e-05
 matching v polynomial at r=4.800000e-01
 l=1 eigenvalue correction: 1.930382e-02
 matching v polynomial at r=5.300000e-01
 l=2 eigenvalue correction: 2.299442e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.169417   -0.168985      4.314857e-04
 l=1                   -2.651249   -2.635749      1.549942e-02
 l=2                   -0.185174   -0.186079     -9.049859e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.730      0.862500    0.862765     -2.647656e-04
 l=1         1.430      0.032968    0.033482     -5.139599e-04
 l=2         1.580      0.163826    0.163100      7.264409e-04
 truncating v[l=0] at i = 3074
 truncating v[l=1] at i = 3074
 truncating v[l=2] at i = 3074