PSGen-1.6.0

 PSgen arguments: 
 -element K -xc PBE -smooth_v -config [Ar] 3d1 -bound l=0:rc=1.0
 -bound l=1:rc=1.5 -bound l=2:rc=2.0

 Bound state(s): 
   l=0: rc = 1
   l=1: rc = 1.5
   l=2: rc = 2

 K Z=19  [Ar] 3d1
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 5.263e-08 rmax = 49.486
 total charge: 19.000

 Full atom solution:

 Weighted sum of eigenvalues:      -354.396392
 electron-nucleus energy:         -1431.666719
 Coulomb interaction energy:        257.391442
 Exc-Vxc:                             9.791332
 Total energy:                     -601.996503

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -129.500202    0.052827
  2     0  2.00  -13.043422    0.315811
  2     1  6.00  -10.350529    0.262197
  3     0  2.00   -1.353299    1.069334
  3     1  6.00   -0.746054    1.149570
  3     2  1.00   -0.023044    7.620740
 l=0 ic=99 rc: 1.000000
 l=1 ic=149 rc: 1.500000
 l=2 ic=199 rc: 2.000000
 dv: 7.707322
 eig: -1.353299 ae_eig: -1.353299 error: 2.357503e-07
 l = 0 ae_norm: 1.000005e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.000000e-02
 r[icn]: 1.500000e+00
 ae_outnorm: 2.761510e-01
 ps_outnorm: 2.049554e-01
 dl = -6.287726e-01
 outnorm error after correction: 1.312349e-09
 dv: -2.427210e-01
 eig: -7.460541e-01 ae_eig: -7.460541e-01 error: 9.043988e-11
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=5.100000e-01
 r[icn]: 2.250000e+00
 ae_outnorm: 9.772884e-02
 ps_outnorm: 9.763221e-02
 dl = -1.634697e-03
 outnorm error after correction: 1.176420e-13
 dv: -1.171741e+00
 eig: -2.304423e-02 ae_eig: -2.304423e-02 error: 9.298160e-10
 l = 2 ae_norm: 9.999983e-01
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=1.050000e+00
 r[icn]: 3.000000e+00
 ae_outnorm: 8.824103e-01
 ps_outnorm: 9.095621e-01
 dl = 8.473479e-01
 outnorm error after correction: 1.037497e-09
 integral of charge density: 9.000000e+00
 smooth_v
 matching v polynomial at r=5.000000e-01
 l=0 eigenvalue correction: -1.848915e-03
 matching v polynomial at r=7.500000e-01
 l=1 eigenvalue correction: 2.654207e-03
 matching v polynomial at r=1.000000e+00
 l=2 eigenvalue correction: -3.989325e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -1.353299   -1.356538     -3.238419e-03
 l=1                   -0.746054   -0.744511      1.542917e-03
 l=2                   -0.023044   -0.023001      4.360439e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.500      0.276151    0.274996      1.154715e-03
 l=1         2.250      0.097729    0.098225     -4.961615e-04
 l=2         3.000      0.882410    0.880854      1.556483e-03
 truncating v[l=0] at i = 3999
 truncating v[l=1] at i = 3999
 truncating v[l=2] at i = 3999