PSGen-1.6.1

 PSgen arguments: 
 -element Mg -xc LDA -smooth_v -bound l=0:rc=1.5 -bound l=1:rc=1.1
 -scat l=2:rc=1.3

 Bound state(s): 
   l=0: rc = 1.5
   l=1: rc = 1.1
 Scattering state(s): 
   l=2: rc = 1.3, rmch = 3.25

 Mg Z=12  [Ne] 3s2
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 8.333e-08 rmax = 49.497
 total charge: 12.000

 Full atom solution:

 Weighted sum of eigenvalues:      -108.604830
 electron-nucleus energy:          -479.234954
 Coulomb interaction energy:         95.810157
 Exc-Vxc:                             4.961381
 Total energy:                     -199.453606

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00  -46.062691    0.085009
  2     0  2.00   -2.913644    0.545825
  2     1  6.00   -1.716721    0.473812
  3     0  2.00   -0.175916    2.510751

 Energy of l=2 scattering state set to -0.175916
 l=0 ic=149 rc: 1.500000
 l=1 ic=109 rc: 1.100000
 l=2 ic=129 rc: 1.300000
 dv: 3.626363
 eig: -0.175916 ae_eig: -0.175916 error: -5.671394e-09
 l = 0 ae_norm: 1.000000e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.100000e+00
 r[icn]: 2.250000e+00
 ae_outnorm: 7.402606e-01
 ps_outnorm: 7.103528e-01
 dl = -4.764356e-01
 outnorm error after correction: 4.141841e-10
 dv: -6.063630e+00
 eig: -1.716721e+00 ae_eig: -1.716721e+00 error: -9.484800e-08
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=3.500000e-01
 r[icn]: 1.650000e+00
 ae_outnorm: 2.167441e-02
 ps_outnorm: 4.894899e-02
 dl = 1.283229e+00
 outnorm error after correction: -1.465210e-09
 rmch=3.250000e+00
 r[imch]=3.240000e+00
 u_scatt_ae[l=2] at rmch: 1.255778e+00
 u_scatt_pseudo[l=2] at imch: 1.255778e+00
 u_scatt_ae[l=2] at imch: 1.255778e+00
 l = 2 ae_scat_norm: 9.265695e-01
 l = 2 ps_scat_norm: 9.340882e-01
 dl = -6.593960e-01
 scatt_norm error after correction: 9.222800e-11
 integral of charge density: 8.000000e+00
 smooth_v
 matching v polynomial at r=7.500000e-01
 l=0 eigenvalue correction: 7.817646e-06
 matching v polynomial at r=5.500000e-01
 l=1 eigenvalue correction: 2.271224e-03
 matching v polynomial at r=6.500000e-01
 l=2 eigenvalue correction: -1.941263e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.175916   -0.175927     -1.137758e-05
 l=1                   -1.716721   -1.715565      1.155974e-03
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.250      0.740261    0.740207      5.384009e-05
 l=1         1.650      0.021674    0.021718     -4.317766e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.175916   -0.175914      2.284610e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.250      0.926569    0.926590     -2.081129e-05
 truncating v[l=0] at i = 1195
 truncating v[l=1] at i = 1195
 truncating v[l=2] at i = 1195