PSGen-1.6.1

 PSgen arguments: 
 -element Ni -xc LDA -smooth_v -bound l=0:rc=1.20 -bound l=1:rc=1.00
 -bound l=2:rc=1.10

 Bound state(s): 
   l=0: rc = 1.2
   l=1: rc = 1
   l=2: rc = 1.1

 Ni Z=28  [Ar] 3d8 4s2
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 3.571e-08 rmax = 49.476
 total charge: 28.000

 Full atom solution:

 Weighted sum of eigenvalues:      -887.434536
 electron-nucleus energy:         -3646.129239
 Coulomb interaction energy:        650.291501
 Exc-Vxc:                            19.669998
 Total energy:                    -1518.056039

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -301.165813    0.035329
  2     0  2.00  -36.008466    0.202889
  2     1  6.00  -31.022548    0.164360
  3     0  2.00   -4.060724    0.639325
  3     1  6.00   -2.618627    0.646092
  3     2  8.00   -0.335797    0.626001
  4     0  2.00   -0.215552    2.214844
 l=0 ic=119 rc: 1.200000
 l=1 ic=99 rc: 1.000000
 l=2 ic=109 rc: 1.100000
 dv: 11.168667
 eig: -0.215552 ae_eig: -0.215552 error: -9.048805e-09
 l = 0 ae_norm: 1.000002e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.200000e+00
 r[icn]: 1.800000e+00
 ae_outnorm: 8.255913e-01
 ps_outnorm: 8.126791e-01
 dl = -3.870905e-01
 outnorm error after correction: 5.751144e-11
 dv: -2.905410e+00
 eig: -2.618627e+00 ae_eig: -2.618627e+00 error: 2.292653e-09
 l = 1 ae_norm: 9.999996e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=3.100000e-01
 r[icn]: 1.500000e+00
 ae_outnorm: 3.060239e-02
 ps_outnorm: 3.565476e-02
 dl = 2.021984e-01
 outnorm error after correction: 5.879873e-12
 dv: -6.549369e+00
 eig: -3.357970e-01 ae_eig: -3.357970e-01 error: -1.997759e-09
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=5.000000e-01
 r[icn]: 1.650000e+00
 ae_outnorm: 1.277017e-01
 ps_outnorm: 2.197862e-01
 dl = 1.370705e+00
 outnorm error after correction: 7.098041e-09
 integral of charge density: 1.600000e+01
 smooth_v
 matching v polynomial at r=6.000000e-01
 l=0 eigenvalue correction: 1.898644e-06
 matching v polynomial at r=5.000000e-01
 l=1 eigenvalue correction: 1.953184e-03
 matching v polynomial at r=5.500000e-01
 l=2 eigenvalue correction: -7.949435e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.215552   -0.215519      3.216488e-05
 l=1                   -2.618627   -2.617012      1.614394e-03
 l=2                   -0.335797   -0.336026     -2.292727e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.800      0.825591    0.825621     -2.943503e-05
 l=1         1.500      0.030602    0.030656     -5.393402e-05
 l=2         1.650      0.127702    0.127611      9.062441e-05
 truncating v[l=0] at i = 547
 truncating v[l=1] at i = 547
 truncating v[l=2] at i = 547