PSGen-1.6.1

 PSgen arguments: 
 -element Kr -xc LDA -smooth_v -bound l=0:rc=0.90 -bound l=1:rc=1.00
 -scat l=2:rc=1.00

 Bound state(s): 
   l=0: rc = 0.9
   l=1: rc = 1
 Scattering state(s): 
   l=2: rc = 1, rmch = 2.5

 Kr Z=36  [Ar] 3d10 4s2 4p6
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 2.778e-08 rmax = 49.470
 total charge: 36.000

 Full atom solution:

 Weighted sum of eigenvalues:     -1635.245847
 electron-nucleus energy:         -6725.313832
 Coulomb interaction energy:       1181.821396
 Exc-Vxc:                            30.226210
 Total energy:                    -2786.841033

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -519.478561    0.027031
  2     0  2.00  -68.422301    0.153519
  2     1  6.00  -60.554223    0.122739
  3     0  2.00   -9.667622    0.464984
  3     1  6.00   -7.162891    0.460055
  3     2 10.00   -3.002811    0.409172
  4     0  2.00   -0.853470    1.321131
  4     1  6.00   -0.345190    1.533674

 Energy of l=2 scattering state set to -0.345190
 l=0 ic=89 rc: 0.900000
 l=1 ic=99 rc: 1.000000
 l=2 ic=99 rc: 1.000000
 dv: 19.688254
 eig: -0.853468 ae_eig: -0.853470 error: 1.873281e-06
 l = 0 ae_norm: 1.000013e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=6.600000e-01
 r[icn]: 1.350000e+00
 ae_outnorm: 6.178298e-01
 ps_outnorm: 5.685561e-01
 dl = -6.620224e-01
 outnorm error after correction: -3.940747e-10
 dv: 1.136162e+01
 eig: -3.451896e-01 ae_eig: -3.451896e-01 error: 1.484250e-08
 l = 1 ae_norm: 9.999998e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=6.700000e-01
 r[icn]: 1.500000e+00
 ae_outnorm: 6.867649e-01
 ps_outnorm: 6.564690e-01
 dl = -4.889150e-01
 outnorm error after correction: -3.825051e-10
 rmch=2.500000e+00
 r[imch]=2.490000e+00
 u_scatt_ae[l=2] at rmch: 1.372142e+00
 u_scatt_pseudo[l=2] at imch: 1.372142e+00
 u_scatt_ae[l=2] at imch: 1.372142e+00
 l = 2 ae_scat_norm: 9.410519e-01
 l = 2 ps_scat_norm: 9.312985e-01
 dl = 7.561742e-01
 scatt_norm error after correction: -2.751632e-11
 integral of charge density: 8.000000e+00
 smooth_v
 matching v polynomial at r=4.500000e-01
 l=0 eigenvalue correction: -1.903521e-04
 matching v polynomial at r=5.000000e-01
 l=1 eigenvalue correction: -4.573018e-05
 matching v polynomial at r=5.000000e-01
 l=2 eigenvalue correction: -5.067880e-07

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.853470   -0.853581     -1.108225e-04
 l=1                   -0.345190   -0.345177      1.267663e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.350      0.617830    0.617705      1.252621e-04
 l=1         1.500      0.686765    0.686743      2.203456e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.345190   -0.345154      3.577861e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         2.500      0.941052    0.941038      1.431694e-05
 truncating v[l=0] at i = 921
 truncating v[l=1] at i = 921
 truncating v[l=2] at i = 921