PSGen-1.6.0

 PSgen arguments: 
 -element Br -xc PBE -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 = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 2.857e-08 rmax = 49.471
 total charge: 35.000

 Full atom solution:

 Weighted sum of eigenvalues:     -1526.480817
 electron-nucleus energy:         -6284.836558
 Coulomb interaction energy:       1107.704511
 Exc-Vxc:                            27.772568
 Total energy:                    -2606.412759

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -489.432238    0.027888
  2     0  2.00  -63.690278    0.158026
  2     1  6.00  -56.173473    0.126379
  3     0  2.00   -8.749099    0.483045
  3     1  6.00   -6.375713    0.477932
  3     2 10.00   -2.451841    0.429686
  4     0  2.00   -0.739928    1.415015
  4     1  5.00   -0.288839    1.659908

 Energy of l=2 scattering state set to -0.288839
 l=0 ic=94 rc: 0.950000
 l=1 ic=104 rc: 1.050000
 l=2 ic=104 rc: 1.050000
 dv: 16.869513
 eig: -0.739928 ae_eig: -0.739928 error: -6.290883e-08
 l = 0 ae_norm: 1.000011e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=6.800000e-01
 r[icn]: 1.430000e+00
 ae_outnorm: 6.241820e-01
 ps_outnorm: 5.739769e-01
 dl = -6.724636e-01
 outnorm error after correction: -7.784275e-10
 dv: 9.978094e+00
 eig: -2.888392e-01 ae_eig: -2.888391e-01 error: -8.909936e-09
 l = 1 ae_norm: 9.999998e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=7.100000e-01
 r[icn]: 1.580000e+00
 ae_outnorm: 7.080819e-01
 ps_outnorm: 6.801858e-01
 dl = -4.818034e-01
 outnorm error after correction: -1.162761e-10
 rmch=2.625000e+00
 r[imch]=2.620000e+00
 u_scatt_ae[l=2] at rmch: 1.316512e+00
 u_scatt_pseudo[l=2] at imch: 1.316512e+00
 u_scatt_ae[l=2] at imch: 1.316512e+00
 l = 2 ae_scat_norm: 9.125061e-01
 l = 2 ps_scat_norm: 9.008389e-01
 dl = 1.036840e+00
 scatt_norm error after correction: -8.605250e-11
 integral of charge density: 7.000000e+00
 smooth_v
 matching v polynomial at r=4.800000e-01
 l=0 eigenvalue correction: -2.132530e-04
 matching v polynomial at r=5.300000e-01
 l=1 eigenvalue correction: -4.719155e-05
 matching v polynomial at r=5.300000e-01
 l=2 eigenvalue correction: -1.304750e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.739928   -0.740054     -1.259058e-04
 l=1                   -0.288839   -0.288823      1.624654e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.430      0.624182    0.624020      1.619680e-04
 l=1         1.580      0.708082    0.708056      2.639639e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.288839   -0.288797      4.200070e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         2.625      0.912506    0.912491      1.464222e-05
 truncating v[l=0] at i = 2462
 truncating v[l=1] at i = 2462
 truncating v[l=2] at i = 2462