PSGen-1.6.1

 PSgen arguments: 
 -element Se -xc LDA -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 = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 2.941e-08 rmax = 49.471
 total charge: 34.000

 Full atom solution:

 Weighted sum of eigenvalues:     -1418.207091
 electron-nucleus energy:         -5853.757338
 Coulomb interaction energy:       1036.052367
 Exc-Vxc:                            27.472400
 Total energy:                    -2426.787058

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -458.766893    0.028779
  2     0  2.00  -58.972178    0.164429
  2     1  6.00  -51.924118    0.131541
  3     0  2.00   -7.815301    0.501854
  3     1  6.00   -5.611708    0.496550
  3     2 10.00   -1.961924    0.446489
  4     0  2.00   -0.642560    1.499498
  4     1  4.00   -0.244757    1.796407

 Energy of l=2 scattering state set to -0.244757
 l=0 ic=99 rc: 1.000000
 l=1 ic=109 rc: 1.100000
 l=2 ic=119 rc: 1.200000
 dv: 14.748227
 eig: -0.642560 ae_eig: -0.642560 error: 2.910283e-08
 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: 6.381473e-01
 ps_outnorm: 5.892207e-01
 dl = -6.608863e-01
 outnorm error after correction: 3.511779e-10
 dv: 8.883313e+00
 eig: -2.447573e-01 ae_eig: -2.447573e-01 error: 5.160885e-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: 7.379889e-01
 ps_outnorm: 7.140909e-01
 dl = -4.509253e-01
 outnorm error after correction: -2.067768e-11
 rmch=3.000000e+00
 r[imch]=2.990000e+00
 u_scatt_ae[l=2] at rmch: 1.257570e+00
 u_scatt_pseudo[l=2] at imch: 1.257570e+00
 u_scatt_ae[l=2] at imch: 1.257570e+00
 l = 2 ae_scat_norm: 9.125401e-01
 l = 2 ps_scat_norm: 9.065787e-01
 dl = 5.251931e-01
 scatt_norm error after correction: 6.469603e-11
 integral of charge density: 6.000000e+00
 smooth_v
 matching v polynomial at r=5.000000e-01
 l=0 eigenvalue correction: -1.719413e-04
 matching v polynomial at r=5.500000e-01
 l=1 eigenvalue correction: -2.221067e-05
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: -1.518308e-07

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.642560   -0.642677     -1.174248e-04
 l=1                   -0.244757   -0.244741      1.670254e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.500      0.638147    0.637991      1.558522e-04
 l=1         1.650      0.737989    0.737983      6.041429e-06

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.244757   -0.244737      2.035030e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.000      0.912540    0.912528      1.210042e-05
 truncating v[l=0] at i = 986
 truncating v[l=1] at i = 986
 truncating v[l=2] at i = 986