PSGen-1.6.0

 PSgen arguments: 
 -element Cs -xc PBE -smooth_v -bound l=0:rc=2.50 -bound l=1:rc=2.00
 -scat l=2:rc=2.00

 Bound state(s): 
   l=0: rc = 2.5
   l=1: rc = 2
 Scattering state(s): 
   l=2: rc = 2, rmch = 5

 Cs Z=55  [Xe] 6s1
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 1.818e-08 rmax = 49.460
 total charge: 55.000

 Full atom solution:

 Weighted sum of eigenvalues:     -4801.162080
 electron-nucleus energy:        -18844.077633
 Coulomb interaction energy:       3044.463110
 Exc-Vxc:                            58.694779
 Total energy:                    -7786.930411

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00-1315.631590    0.016618
  2     0  2.00 -206.369536    0.094563
  2     1  6.00 -185.116812    0.076090
  3     0  2.00  -42.903088    0.271350
  3     1  6.00  -36.064756    0.265516
  3     2 10.00  -26.030660    0.218342
  4     0  2.00   -8.095620    0.640300
  4     1  6.00   -5.909714    0.668748
  4     2 10.00   -2.728595    0.713806
  5     0  2.00   -0.982388    1.544105
  5     1  6.00   -0.496786    1.778412
  6     0  1.00   -0.076670    4.781037

 Energy of l=2 scattering state set to -0.076670
 l=0 ic=249 rc: 2.500000
 l=1 ic=199 rc: 2.000000
 l=2 ic=199 rc: 2.000000
 dv: 3.730161
 eig: -0.076670 ae_eig: -0.076670 error: -7.636281e-10
 l = 0 ae_norm: 1.000001e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=2.680000e+00
 r[icn]: 3.750000e+00
 ae_outnorm: 8.422288e-01
 ps_outnorm: 8.347631e-01
 dl = -2.906608e-01
 outnorm error after correction: -2.216560e-11
 dv: 1.245187e+00
 eig: -4.967861e-01 ae_eig: -4.967861e-01 error: 4.823823e-10
 l = 1 ae_norm: 9.999989e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=6.900000e-01
 r[icn]: 3.000000e+00
 ae_outnorm: 1.157241e-01
 ps_outnorm: 8.683379e-02
 dl = -4.597968e-01
 outnorm error after correction: -3.349507e-11
 rmch=5.000000e+00
 r[imch]=4.990000e+00
 u_scatt_ae[l=2] at rmch: 7.356590e-01
 u_scatt_pseudo[l=2] at imch: 7.356590e-01
 u_scatt_ae[l=2] at imch: 7.356590e-01
 l = 2 ae_scat_norm: 9.508112e-01
 l = 2 ps_scat_norm: 9.626119e-01
 dl = -1.613427e-01
 scatt_norm error after correction: -2.311651e-11
 integral of charge density: 7.000000e+00
 smooth_v
 matching v polynomial at r=1.250000e+00
 l=0 eigenvalue correction: 1.744635e-05
 matching v polynomial at r=1.000000e+00
 l=1 eigenvalue correction: 1.369654e-03
 matching v polynomial at r=1.000000e+00
 l=2 eigenvalue correction: 4.067931e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.076670   -0.076694     -2.422071e-05
 l=1                   -0.496786   -0.496613      1.731485e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         3.750      0.842229    0.842025      2.035201e-04
 l=1         3.000      0.115724    0.116070     -3.454251e-04

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.076670   -0.076895     -2.248810e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         5.000      0.950811    0.951906     -1.094708e-03
 truncating v[l=0] at i = 3999
 truncating v[l=1] at i = 3999
 truncating v[l=2] at i = 3999