PSGen-1.6.0

 PSgen arguments: 
 -element Kr -xc PBE -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 = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 2.778e-08 rmax = 49.470
 total charge: 36.000

 Full atom solution:

 Weighted sum of eigenvalues:     -1637.244339
 electron-nucleus energy:         -6730.040257
 Coulomb interaction energy:       1182.145369
 Exc-Vxc:                            29.124449
 Total energy:                    -2790.265259

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -520.320301    0.027031
  2     0  2.00  -68.518088    0.153519
  2     1  6.00  -60.579984    0.122739
  3     0  2.00   -9.700695    0.464984
  3     1  6.00   -7.173114    0.460055
  3     2 10.00   -2.991448    0.409172
  4     0  2.00   -0.847038    1.335284
  4     1  6.00   -0.339837    1.550103

 Energy of l=2 scattering state set to -0.339837
 l=0 ic=89 rc: 0.900000
 l=1 ic=99 rc: 1.000000
 l=2 ic=99 rc: 1.000000
 dv: 19.596645
 eig: -0.847037 ae_eig: -0.847038 error: 2.536008e-07
 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: 6.215379e-01
 ps_outnorm: 5.717430e-01
 dl = -6.695060e-01
 outnorm error after correction: -8.906881e-10
 dv: 1.138503e+01
 eig: -3.398374e-01 ae_eig: -3.398374e-01 error: -1.602660e-09
 l = 1 ae_norm: 9.999998e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=6.600000e-01
 r[icn]: 1.500000e+00
 ae_outnorm: 6.885815e-01
 ps_outnorm: 6.575593e-01
 dl = -5.010485e-01
 outnorm error after correction: -1.047362e-08
 rmch=2.500000e+00
 r[imch]=2.490000e+00
 u_scatt_ae[l=2] at rmch: 1.368884e+00
 u_scatt_pseudo[l=2] at imch: 1.368884e+00
 u_scatt_ae[l=2] at imch: 1.368884e+00
 l = 2 ae_scat_norm: 9.413381e-01
 l = 2 ps_scat_norm: 9.312794e-01
 dl = 7.806405e-01
 scatt_norm error after correction: -1.911560e-11
 integral of charge density: 8.000000e+00
 smooth_v
 matching v polynomial at r=4.500000e-01
 l=0 eigenvalue correction: -1.983084e-04
 matching v polynomial at r=5.000000e-01
 l=1 eigenvalue correction: -6.438897e-05
 matching v polynomial at r=5.000000e-01
 l=2 eigenvalue correction: -1.632674e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.847038   -0.847133     -9.575869e-05
 l=1                   -0.339837   -0.339826      1.156771e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.350      0.621538    0.621412      1.262851e-04
 l=1         1.500      0.688582    0.688544      3.722232e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.339837   -0.339789      4.827774e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         2.500      0.941338    0.941322      1.593719e-05
 truncating v[l=0] at i = 948
 truncating v[l=1] at i = 948
 truncating v[l=2] at i = 948