PSGen-1.6.1

 PSgen arguments: 
 -element Li -xc LDA -smooth_v -bound l=0:rc=2.2 -scat l=1:rc=2.0

 Bound state(s): 
   l=0: rc = 2.2
 Scattering state(s): 
   l=1: rc = 2, rmch = 5

 Li Z=3  1s2 2s1
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 3.333e-07 rmax = 49.532
 total charge: 3.000

 Full atom solution:

 Weighted sum of eigenvalues:        -3.861581
 electron-nucleus energy:           -16.913600
 Coulomb interaction energy:          3.991262
 Exc-Vxc:                             0.517991
 Total energy:                       -7.334851

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00   -1.877937    0.363850
  2     0  1.00   -0.105706    3.111692

 Energy of l=1 scattering state set to -0.105706
 l=0 ic=219 rc: 2.200000
 l=1 ic=199 rc: 2.000000
 dv: 0.612818
 eig: -0.105706 ae_eig: -0.105706 error: -8.565008e-11
 l = 0 ae_norm: 1.000000e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.000000e-02
 r[icn]: 3.300000e+00
 ae_outnorm: 5.952575e-01
 ps_outnorm: 5.612421e-01
 dl = -3.289261e-01
 outnorm error after correction: 2.742552e-10
 rmch=5.000000e+00
 r[imch]=4.990000e+00
 u_scatt_ae[l=1] at rmch: 7.368835e-01
 u_scatt_pseudo[l=1] at imch: 7.368835e-01
 u_scatt_ae[l=1] at imch: 7.368835e-01
 l = 1 ae_scat_norm: 9.635600e-01
 l = 1 ps_scat_norm: 9.492153e-01
 dl = 2.170500e-01
 scatt_norm error after correction: 4.611578e-11
 integral of charge density: 1.000000e+00
 smooth_v
 matching v polynomial at r=1.100000e+00
 l=0 eigenvalue correction: -2.659359e-05
 matching v polynomial at r=1.000000e+00
 l=1 eigenvalue correction: 9.003106e-07

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.105706   -0.105717     -1.078115e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         3.300      0.595257    0.595095      1.626695e-04

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=1                   -0.105706   -0.105688      1.819028e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=1         5.000      0.963560    0.963547      1.312220e-05
 truncating v[l=0] at i = 3999
 truncating v[l=1] at i = 3999