PSGen-1.6.1

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

 Bound state(s): 
   l=0: rc = 0.95
   l=1: rc = 1.05
 Scattering state(s): 
   l=2: rc = 1.05, rmch = 2.625

 Br Z=35  [Ar] 3d10 4s2 4p5
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 2.857e-08 rmax = 49.471
 total charge: 35.000

 Full atom solution:

 Weighted sum of eigenvalues:     -1524.528024
 electron-nucleus energy:         -6280.320364
 Coulomb interaction energy:       1107.419438
 Exc-Vxc:                            28.833920
 Total energy:                    -2603.113541

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -488.617108    0.027888
  2     0  2.00  -63.596680    0.158026
  2     1  6.00  -56.147919    0.126379
  3     0  2.00   -8.716834    0.483045
  3     1  6.00   -6.365366    0.477932
  3     2 10.00   -2.462235    0.425138
  4     0  2.00   -0.746782    1.400037
  4     1  5.00   -0.294232    1.659908

 Energy of l=2 scattering state set to -0.294232
 l=0 ic=94 rc: 0.950000
 l=1 ic=104 rc: 1.050000
 l=2 ic=104 rc: 1.050000
 dv: 16.950926
 eig: -0.746782 ae_eig: -0.746782 error: -1.138440e-07
 l = 0 ae_norm: 1.000011e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=6.900000e-01
 r[icn]: 1.430000e+00
 ae_outnorm: 6.200493e-01
 ps_outnorm: 5.702919e-01
 dl = -6.656109e-01
 outnorm error after correction: -2.100745e-10
 dv: 9.989788e+00
 eig: -2.942318e-01 ae_eig: -2.942317e-01 error: -1.292295e-08
 l = 1 ae_norm: 9.999998e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=7.200000e-01
 r[icn]: 1.580000e+00
 ae_outnorm: 7.057912e-01
 ps_outnorm: 6.782728e-01
 dl = -4.729214e-01
 outnorm error after correction: 7.132566e-10
 rmch=2.625000e+00
 r[imch]=2.620000e+00
 u_scatt_ae[l=2] at rmch: 1.319720e+00
 u_scatt_pseudo[l=2] at imch: 1.319720e+00
 u_scatt_ae[l=2] at imch: 1.319720e+00
 l = 2 ae_scat_norm: 9.120600e-01
 l = 2 ps_scat_norm: 9.011171e-01
 dl = 9.694120e-01
 scatt_norm error after correction: 1.189728e-10
 integral of charge density: 7.000000e+00
 smooth_v
 matching v polynomial at r=4.800000e-01
 l=0 eigenvalue correction: -2.116797e-04
 matching v polynomial at r=5.300000e-01
 l=1 eigenvalue correction: -3.680257e-05
 matching v polynomial at r=5.300000e-01
 l=2 eigenvalue correction: -5.814261e-07

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.746782   -0.746920     -1.382947e-04
 l=1                   -0.294232   -0.294215      1.716248e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.430      0.620049    0.619886      1.631513e-04
 l=1         1.580      0.705791    0.705776      1.534508e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.294232   -0.294198      3.394768e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         2.625      0.912060    0.912046      1.415252e-05
 truncating v[l=0] at i = 950
 truncating v[l=1] at i = 950
 truncating v[l=2] at i = 950