PSGen-1.6.0

 PSgen arguments: 
 -element Mg -xc PBE -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 = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 8.333e-08 rmax = 49.497
 total charge: 12.000

 Full atom solution:

 Weighted sum of eigenvalues:      -109.075154
 electron-nucleus energy:          -480.387925
 Coulomb interaction energy:         95.933451
 Exc-Vxc:                             4.728768
 Total energy:                     -200.279836

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00  -46.291311    0.085009
  2     0  2.00   -2.934267    0.545825
  2     1  6.00   -1.713025    0.478625
  3     0  2.00   -0.172924    2.536254

 Energy of l=2 scattering state set to -0.172924
 l=0 ic=149 rc: 1.500000
 l=1 ic=109 rc: 1.100000
 l=2 ic=129 rc: 1.300000
 dv: 3.504852
 eig: -0.172924 ae_eig: -0.172924 error: -4.958498e-09
 l = 0 ae_norm: 1.000000e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.110000e+00
 r[icn]: 2.250000e+00
 ae_outnorm: 7.472621e-01
 ps_outnorm: 7.190720e-01
 dl = -4.651850e-01
 outnorm error after correction: 3.977052e-11
 dv: -6.045543e+00
 eig: -1.713025e+00 ae_eig: -1.713025e+00 error: 1.666581e-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: 2.118285e-02
 ps_outnorm: 4.773254e-02
 dl = 1.270975e+00
 outnorm error after correction: -1.178936e-09
 rmch=3.250000e+00
 r[imch]=3.240000e+00
 u_scatt_ae[l=2] at rmch: 1.255913e+00
 u_scatt_pseudo[l=2] at imch: 1.255913e+00
 u_scatt_ae[l=2] at imch: 1.255913e+00
 l = 2 ae_scat_norm: 9.265753e-01
 l = 2 ps_scat_norm: 9.345582e-01
 dl = -7.228255e-01
 scatt_norm error after correction: 8.515100e-11
 integral of charge density: 8.000000e+00
 smooth_v
 matching v polynomial at r=7.500000e-01
 l=0 eigenvalue correction: 1.264342e-04
 matching v polynomial at r=5.500000e-01
 l=1 eigenvalue correction: -1.342160e-02
 matching v polynomial at r=6.500000e-01
 l=2 eigenvalue correction: -2.295284e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.172924   -0.172843      8.055094e-05
 l=1                   -1.713025   -1.720767     -7.742112e-03
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.250      0.747262    0.748009     -7.469469e-04
 l=1         1.650      0.021183    0.020920      2.623859e-04

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.172924   -0.173128     -2.040155e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.250      0.926575    0.926516      5.927656e-05
 truncating v[l=0] at i = 3135
 truncating v[l=1] at i = 3135
 truncating v[l=2] at i = 3135