PSGen-1.6.0

 PSgen arguments: 
 -element Rb -xc PBE -smooth_v -bound l=0:rc=2.20 -bound l=1:rc=1.60
 -scat l=2:rc=2.00

 Bound state(s): 
   l=0: rc = 2.2
   l=1: rc = 1.6
 Scattering state(s): 
   l=2: rc = 2, rmch = 5

 Rb Z=37  [Kr] 5s1
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 2.703e-08 rmax = 49.469
 total charge: 37.000

 Full atom solution:

 Weighted sum of eigenvalues:     -1760.743481
 electron-nucleus energy:         -7184.639176
 Coulomb interaction energy:       1250.866179
 Exc-Vxc:                            30.413186
 Total energy:                    -2981.196474

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -552.482653    0.026205
  2     0  2.00  -73.801353    0.149165
  2     1  6.00  -65.422763    0.119223
  3     0  2.00  -10.951337    0.447636
  3     1  6.00   -8.264028    0.442886
  3     2 10.00   -3.820586    0.389662
  4     0  2.00   -1.172069    1.260036
  4     1  6.00   -0.586674    1.416943
  5     0  1.00   -0.082006    4.343890

 Energy of l=2 scattering state set to -0.082006
 l=0 ic=219 rc: 2.200000
 l=1 ic=159 rc: 1.600000
 l=2 ic=199 rc: 2.000000
 dv: 3.996886
 eig: -0.082006 ae_eig: -0.082006 error: -1.872486e-10
 l = 0 ae_norm: 1.000001e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=2.350000e+00
 r[icn]: 3.300000e+00
 ae_outnorm: 8.570448e-01
 ps_outnorm: 8.509130e-01
 dl = -2.490845e-01
 outnorm error after correction: -1.565825e-11
 dv: 1.124800e+00
 eig: -5.866743e-01 ae_eig: -5.866743e-01 error: -3.293017e-10
 l = 1 ae_norm: 9.999997e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=5.700000e-01
 r[icn]: 2.410000e+00
 ae_outnorm: 1.455811e-01
 ps_outnorm: 1.228810e-01
 dl = -3.087645e-01
 outnorm error after correction: -1.809564e-10
 rmch=5.000000e+00
 r[imch]=4.990000e+00
 u_scatt_ae[l=2] at rmch: 8.517347e-01
 u_scatt_pseudo[l=2] at imch: 8.517347e-01
 u_scatt_ae[l=2] at imch: 8.517347e-01
 l = 2 ae_scat_norm: 9.372038e-01
 l = 2 ps_scat_norm: 9.343078e-01
 dl = 5.619202e-02
 scatt_norm error after correction: -1.592171e-12
 integral of charge density: 7.000000e+00
 smooth_v
 matching v polynomial at r=1.100000e+00
 l=0 eigenvalue correction: 3.934463e-06
 matching v polynomial at r=8.000000e-01
 l=1 eigenvalue correction: 2.516558e-03
 matching v polynomial at r=1.000000e+00
 l=2 eigenvalue correction: 1.215300e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.082006   -0.082045     -3.861843e-05
 l=1                   -0.586674   -0.586230      4.446698e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         3.300      0.857045    0.856669      3.760881e-04
 l=1         2.410      0.145581    0.146190     -6.091244e-04

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.082006   -0.082174     -1.670265e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         5.000      0.937204    0.938465     -1.261238e-03
 truncating v[l=0] at i = 3999
 truncating v[l=1] at i = 3999
 truncating v[l=2] at i = 3999