PSGen-1.6.1

 PSgen arguments: 
 -element S -xc LDA -smooth_v -bound l=0:rc=0.9 -bound l=1:rc=1.1
 -scat l=2:rc=1.2

 Bound state(s): 
   l=0: rc = 0.9
   l=1: rc = 1.1
 Scattering state(s): 
   l=2: rc = 1.2, rmch = 3

 S Z=16  [Ne] 3s2 3p4
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 6.250e-08 rmax = 49.490
 total charge: 16.000

 Full atom solution:

 Weighted sum of eigenvalues:      -228.511769
 electron-nucleus energy:          -949.745457
 Coulomb interaction energy:        177.110907
 Exc-Vxc:                             7.792115
 Total energy:                     -397.830561

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00  -88.095950    0.063243
  2     0  2.00   -7.746548    0.388095
  2     1  6.00   -5.751850    0.322708
  3     0  2.00   -0.635158    1.397593
  3     1  4.00   -0.261340    1.596801

 Energy of l=2 scattering state set to -0.261340
 l=0 ic=89 rc: 0.900000
 l=1 ic=109 rc: 1.100000
 l=2 ic=119 rc: 1.200000
 dv: 14.005011
 eig: -0.635158 ae_eig: -0.635158 error: 2.222431e-08
 l = 0 ae_norm: 1.000002e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=7.100000e-01
 r[icn]: 1.350000e+00
 ae_outnorm: 6.763541e-01
 ps_outnorm: 6.466185e-01
 dl = -4.473398e-01
 outnorm error after correction: 2.373860e-10
 dv: 4.194328e+00
 eig: -2.613395e-01 ae_eig: -2.613395e-01 error: 9.484053e-09
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=6.100000e-01
 r[icn]: 1.650000e+00
 ae_outnorm: 6.352636e-01
 ps_outnorm: 6.131143e-01
 dl = -2.868835e-01
 outnorm error after correction: 1.593459e-11
 rmch=3.000000e+00
 r[imch]=2.990000e+00
 u_scatt_ae[l=2] at rmch: 1.244354e+00
 u_scatt_pseudo[l=2] at imch: 1.244354e+00
 u_scatt_ae[l=2] at imch: 1.244354e+00
 l = 2 ae_scat_norm: 9.303667e-01
 l = 2 ps_scat_norm: 9.254145e-01
 dl = 2.081440e-01
 scatt_norm error after correction: -3.642231e-11
 integral of charge density: 6.000000e+00
 smooth_v
 matching v polynomial at r=4.500000e-01
 l=0 eigenvalue correction: 1.292302e-06
 matching v polynomial at r=5.500000e-01
 l=1 eigenvalue correction: -1.886196e-05
 matching v polynomial at r=6.000000e-01
 l=2 eigenvalue correction: 1.393381e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.635158   -0.635139      1.865346e-05
 l=1                   -0.261340   -0.261344     -4.268218e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.350      0.676354    0.676360     -5.546431e-06
 l=1         1.650      0.635264    0.635243      2.042094e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.261340   -0.261329      1.035044e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.000      0.930367    0.930358      9.006727e-06
 truncating v[l=0] at i = 923
 truncating v[l=1] at i = 923
 truncating v[l=2] at i = 923