PSGen-1.6.0

 PSgen arguments: 
 -element Se -xc PBE -smooth_v -bound l=0:rc=1.00 -bound l=1:rc=1.10
 -scat l=2:rc=1.2

 Bound state(s): 
   l=0: rc = 1
   l=1: rc = 1.1
 Scattering state(s): 
   l=2: rc = 1.2, rmch = 3

 Se Z=34  [Ar] 3d10 4s2 4p4
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 2.941e-08 rmax = 49.471
 total charge: 34.000

 Full atom solution:

 Weighted sum of eigenvalues:     -1420.108958
 electron-nucleus energy:         -5858.074142
 Coulomb interaction energy:       1036.305619
 Exc-Vxc:                            26.451063
 Total energy:                    -2429.963515

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -459.555424    0.028779
  2     0  2.00  -59.063464    0.164429
  2     1  6.00  -51.949331    0.131541
  3     0  2.00   -7.846461    0.501854
  3     1  6.00   -5.621911    0.496550
  3     2 10.00   -1.952304    0.451259
  4     0  2.00   -0.635300    1.499498
  4     1  4.00   -0.239292    1.796407

 Energy of l=2 scattering state set to -0.239292
 l=0 ic=99 rc: 1.000000
 l=1 ic=109 rc: 1.100000
 l=2 ic=119 rc: 1.200000
 dv: 14.679691
 eig: -0.635300 ae_eig: -0.635300 error: 1.401101e-07
 l = 0 ae_norm: 1.000009e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=7.200000e-01
 r[icn]: 1.500000e+00
 ae_outnorm: 6.426240e-01
 ps_outnorm: 5.932883e-01
 dl = -6.676221e-01
 outnorm error after correction: 4.458977e-10
 dv: 8.844960e+00
 eig: -2.392920e-01 ae_eig: -2.392920e-01 error: -7.658282e-09
 l = 1 ae_norm: 9.999999e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=7.800000e-01
 r[icn]: 1.650000e+00
 ae_outnorm: 7.408222e-01
 ps_outnorm: 7.168427e-01
 dl = -4.568163e-01
 outnorm error after correction: -2.935374e-11
 rmch=3.000000e+00
 r[imch]=2.990000e+00
 u_scatt_ae[l=2] at rmch: 1.254481e+00
 u_scatt_pseudo[l=2] at imch: 1.254481e+00
 u_scatt_ae[l=2] at imch: 1.254481e+00
 l = 2 ae_scat_norm: 9.129813e-01
 l = 2 ps_scat_norm: 9.060210e-01
 dl = 6.134273e-01
 scatt_norm error after correction: -4.565459e-11
 integral of charge density: 6.000000e+00
 smooth_v
 matching v polynomial at r=5.000000e-01
 l=0 eigenvalue correction: -1.635782e-04
 matching v polynomial at r=5.500000e-01
 l=1 eigenvalue correction: -2.264148e-05
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: -1.137324e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.635300   -0.635409     -1.085116e-04
 l=1                   -0.239292   -0.239276      1.603401e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.500      0.642624    0.642476      1.483912e-04
 l=1         1.650      0.740822    0.740814      8.680755e-06

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.239292   -0.239271      2.056152e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.000      0.912981    0.912971      9.952374e-06
 truncating v[l=0] at i = 2662
 truncating v[l=1] at i = 2662
 truncating v[l=2] at i = 2662