PSGen-1.6.0

 PSgen arguments: 
 -element P -xc PBE -smooth_v -bound l=0:rc=1.0 -bound l=1:rc=1.2
 -scat l=2:rc=1.3

 Bound state(s): 
   l=0: rc = 1
   l=1: rc = 1.2
 Scattering state(s): 
   l=2: rc = 1.3, rmch = 3.25

 P Z=15  [Ne] 3s2 3p3
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 6.667e-08 rmax = 49.492
 total charge: 15.000

 Full atom solution:

 Weighted sum of eigenvalues:      -195.056060
 electron-nucleus energy:          -815.428954
 Coulomb interaction energy:        153.546343
 Exc-Vxc:                             6.700239
 Total energy:                     -341.902164

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00  -76.591900    0.067280
  2     0  2.00   -6.394063    0.414733
  2     1  6.00   -4.575048    0.352182
  3     0  2.00   -0.513364    1.565479
  3     1  3.00   -0.202372    1.824778

 Energy of l=2 scattering state set to -0.202372
 l=0 ic=99 rc: 1.000000
 l=1 ic=119 rc: 1.200000
 l=2 ic=129 rc: 1.300000
 dv: 10.762700
 eig: -0.513364 ae_eig: -0.513364 error: -5.327503e-08
 l = 0 ae_norm: 1.000001e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=7.600000e-01
 r[icn]: 1.500000e+00
 ae_outnorm: 6.826303e-01
 ps_outnorm: 6.498794e-01
 dl = -4.816493e-01
 outnorm error after correction: -4.490508e-11
 dv: 3.069815e+00
 eig: -2.023718e-01 ae_eig: -2.023718e-01 error: 4.476737e-09
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=7.600000e-01
 r[icn]: 1.800000e+00
 ae_outnorm: 6.763275e-01
 ps_outnorm: 6.618943e-01
 dl = -2.176053e-01
 outnorm error after correction: 1.878020e-11
 rmch=3.250000e+00
 r[imch]=3.240000e+00
 u_scatt_ae[l=2] at rmch: 1.181278e+00
 u_scatt_pseudo[l=2] at imch: 1.181278e+00
 u_scatt_ae[l=2] at imch: 1.181278e+00
 l = 2 ae_scat_norm: 9.322528e-01
 l = 2 ps_scat_norm: 9.273189e-01
 dl = 2.240404e-01
 scatt_norm error after correction: 1.016409e-12
 integral of charge density: 5.000000e+00
 smooth_v
 matching v polynomial at r=5.000000e-01
 l=0 eigenvalue correction: -3.410790e-05
 matching v polynomial at r=6.000000e-01
 l=1 eigenvalue correction: -4.603042e-05
 matching v polynomial at r=6.500000e-01
 l=2 eigenvalue correction: -3.387961e-06

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.513364   -0.513347      1.669482e-05
 l=1                   -0.202372   -0.202378     -6.229448e-06
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.500      0.682630    0.682605      2.503537e-05
 l=1         1.800      0.676328    0.676267      6.078920e-05

 scattering states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=2                   -0.202372   -0.202349      2.289604e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=2         3.250      0.932253    0.932248      4.804283e-06
 truncating v[l=0] at i = 2843
 truncating v[l=1] at i = 2843
 truncating v[l=2] at i = 2843