PSGen-1.6.1

 PSgen arguments: 
 -element Zr -xc LDA -smooth_v -bound l=0:rc=1.70 -bound l=1:rc=1.30
 -bound l=2:rc=1.50

 Bound state(s): 
   l=0: rc = 1.7
   l=1: rc = 1.3
   l=2: rc = 1.5

 Zr Z=40  [Kr] 4d2 5s2
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 2.500e-08 rmax = 49.467
 total charge: 40.000

 Full atom solution:

 Weighted sum of eigenvalues:     -2150.647043
 electron-nucleus energy:         -8659.329104
 Coulomb interaction energy:       1479.719355
 Exc-Vxc:                            35.769964
 Total energy:                    -3594.596433

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -654.106117    0.024163
  2     0  2.00  -90.653390    0.136942
  2     1  6.00  -80.905794    0.109364
  3     0  2.00  -14.833399    0.408215
  3     1  6.00  -11.658333    0.399565
  3     2 10.00   -6.429148    0.343938
  4     0  2.00   -2.003269    1.070127
  4     1  6.00   -1.194354    1.165841
  4     2  2.00   -0.137305    1.607514
  5     0  2.00   -0.168860    3.089129
 l=0 ic=169 rc: 1.700000
 l=1 ic=129 rc: 1.300000
 l=2 ic=149 rc: 1.500000
 dv: 8.646323
 eig: -0.168860 ae_eig: -0.168860 error: 1.473817e-09
 l = 0 ae_norm: 1.000003e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.830000e+00
 r[icn]: 2.550000e+00
 ae_outnorm: 8.198664e-01
 ps_outnorm: 8.190431e-01
 dl = -3.152146e-02
 outnorm error after correction: 1.532108e-14
 dv: 2.705871e+00
 eig: -1.194354e+00 ae_eig: -1.194354e+00 error: -1.026627e-09
 l = 1 ae_norm: 9.999992e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=4.600000e-01
 r[icn]: 1.960000e+00
 ae_outnorm: 1.225270e-01
 ps_outnorm: 9.610803e-02
 dl = -4.124718e-01
 outnorm error after correction: -2.773895e-11
 dv: -5.622564e-02
 eig: -1.373047e-01 ae_eig: -1.373047e-01 error: 5.657089e-11
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=7.700000e-01
 r[icn]: 2.250000e+00
 ae_outnorm: 4.265508e-01
 ps_outnorm: 4.303428e-01
 dl = 3.827896e-02
 outnorm error after correction: -4.161671e-13
 integral of charge density: 1.000000e+01
 smooth_v
 matching v polynomial at r=8.500000e-01
 l=0 eigenvalue correction: 4.787649e-06
 matching v polynomial at r=6.500000e-01
 l=1 eigenvalue correction: -4.496037e-04
 matching v polynomial at r=7.500000e-01
 l=2 eigenvalue correction: 5.700633e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.168860   -0.168877     -1.699954e-05
 l=1                   -1.194354   -1.194662     -3.077917e-04
 l=2                   -0.137305   -0.137221      8.421754e-05
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.550      0.819866    0.819878     -1.140705e-05
 l=1         1.960      0.122527    0.122446      8.117330e-05
 l=2         2.250      0.426551    0.426782     -2.306763e-04
 truncating v[l=0] at i = 1265
 truncating v[l=1] at i = 1265
 truncating v[l=2] at i = 1265