PSGen-1.6.1

 PSgen arguments: 
 -element Sr -xc LDA -smooth_v -bound l=0:rc=2.00 -bound l=1:rc=1.50
 -scat l=2:rc=2.00

 Bound state(s): 
   l=0: rc = 2
   l=1: rc = 1.5
 Scattering state(s): 
   l=2: rc = 2, rmch = 5

 Sr Z=38  [Kr] 5s2
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 2.632e-08 rmax = 49.469
 total charge: 38.000

 Full atom solution:

 Weighted sum of eigenvalues:     -1886.871464
 electron-nucleus energy:         -7652.200215
 Coulomb interaction energy:       1321.858596
 Exc-Vxc:                            32.915695
 Total energy:                    -3175.814364

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -584.789106    0.025410
  2     0  2.00  -79.200486    0.144954
  2     1  6.00  -70.435162    0.115825
  3     0  2.00  -12.226563    0.435599
  3     1  6.00   -9.398434    0.426391
  3     2 10.00   -4.712360    0.375090
  4     0  2.00   -1.503427    1.176383
  4     1  6.00   -0.839868    1.323067
  5     0  2.00   -0.133958    3.611464

 Energy of l=2 scattering state set to -0.133958
 l=0 ic=199 rc: 2.000000
 l=1 ic=149 rc: 1.500000
 l=2 ic=199 rc: 2.000000
 dv: 5.290163
 eig: -0.133958 ae_eig: -0.133958 error: 3.918261e-10
 l = 0 ae_norm: 1.000002e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=2.080000e+00
 r[icn]: 3.000000e+00
 ae_outnorm: 8.051509e-01
 ps_outnorm: 7.974213e-01
 dl = -2.460568e-01
 outnorm error after correction: 1.273626e-11
 dv: 1.450322e+00
 eig: -8.398680e-01 ae_eig: -8.398680e-01 error: 3.832377e-09
 l = 1 ae_norm: 9.999996e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=5.300000e-01
 r[icn]: 2.250000e+00
 ae_outnorm: 1.258359e-01
 ps_outnorm: 1.034856e-01
 dl = -3.348241e-01
 outnorm error after correction: -3.942607e-10
 rmch=5.000000e+00
 r[imch]=4.990000e+00
 u_scatt_ae[l=2] at rmch: 7.352709e-01
 u_scatt_pseudo[l=2] at imch: 7.352709e-01
 u_scatt_ae[l=2] at imch: 7.352709e-01
 l = 2 ae_scat_norm: 9.615690e-01
 l = 2 ps_scat_norm: 9.232418e-01
 dl = 3.769842e-01
 scatt_norm error after correction: -3.940936e-11
 integral of charge density: 8.000000e+00
 smooth_v
 matching v polynomial at r=1.000000e+00
 l=0 eigenvalue correction: 8.839399e-06
 matching v polynomial at r=7.500000e-01
 l=1 eigenvalue correction: -1.503015e-05
 matching v polynomial at r=1.000000e+00
 l=2 eigenvalue correction: 2.203510e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.133958   -0.133956      2.089398e-06
 l=1                   -0.839868   -0.839898     -3.036352e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         3.000      0.805151    0.805189     -3.788587e-05
 l=1         2.250      0.125836    0.125830      5.878758e-06

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.133958   -0.133944      1.463290e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         5.000      0.961569    0.961352      2.174745e-04
 truncating v[l=0] at i = 1101
 truncating v[l=1] at i = 1101
 truncating v[l=2] at i = 1101