PSGen-1.6.0

 PSgen arguments: 
 -element Cl -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=1.0
 -scat l=2:rc=1.2

 Bound state(s): 
   l=0: rc = 0.8
   l=1: rc = 1
 Scattering state(s): 
   l=2: rc = 1.2, rmch = 3

 Cl Z=17  [Ne] 3s2 3p5
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 5.882e-08 rmax = 49.489
 total charge: 17.000

 Full atom solution:

 Weighted sum of eigenvalues:      -266.143955
 electron-nucleus energy:         -1100.376606
 Coulomb interaction energy:        203.506235
 Exc-Vxc:                             8.216865
 Total energy:                     -461.433325

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -101.108692    0.058901
  2     0  2.00   -9.286446    0.359674
  2     1  6.00   -7.042252    0.298913
  3     0  2.00   -0.760417    1.273705
  3     1  5.00   -0.315867    1.426200

 Energy of l=2 scattering state set to -0.315867
 l=0 ic=79 rc: 0.800000
 l=1 ic=99 rc: 1.000000
 l=2 ic=119 rc: 1.200000
 dv: 19.496569
 eig: -0.760418 ae_eig: -0.760417 error: -5.188294e-07
 l = 0 ae_norm: 1.000003e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=6.800000e-01
 r[icn]: 1.210000e+00
 ae_outnorm: 6.910015e-01
 ps_outnorm: 6.662033e-01
 dl = -4.146226e-01
 outnorm error after correction: 1.411204e-10
 dv: 4.862013e+00
 eig: -3.158669e-01 ae_eig: -3.158669e-01 error: -7.307146e-09
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=5.900000e-01
 r[icn]: 1.500000e+00
 ae_outnorm: 6.180402e-01
 ps_outnorm: 5.979191e-01
 dl = -2.606400e-01
 outnorm error after correction: 1.323616e-10
 rmch=3.000000e+00
 r[imch]=2.990000e+00
 u_scatt_ae[l=2] at rmch: 1.291262e+00
 u_scatt_pseudo[l=2] at imch: 1.291262e+00
 u_scatt_ae[l=2] at imch: 1.291262e+00
 l = 2 ae_scat_norm: 9.138321e-01
 l = 2 ps_scat_norm: 9.075249e-01
 dl = 2.963012e-01
 scatt_norm error after correction: 7.538858e-12
 integral of charge density: 7.000000e+00
 smooth_v
 matching v polynomial at r=4.000000e-01
 l=0 eigenvalue correction: -5.974286e-05
 matching v polynomial at r=5.000000e-01
 l=1 eigenvalue correction: -1.205083e-04
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: 3.710242e-07

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.760417   -0.760343      7.422184e-05
 l=1                   -0.315867   -0.315880     -1.310270e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.210      0.691001    0.690985      1.609116e-05
 l=1         1.500      0.618040    0.617950      9.038428e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.315867   -0.315822      4.521630e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.000      0.913832    0.913801      3.135765e-05
 truncating v[l=0] at i = 2333
 truncating v[l=1] at i = 2333
 truncating v[l=2] at i = 2333