PSGen-1.6.0

 PSgen arguments: 
 -element Ga -xc PBE -smooth_v -bound l=0:rc=1.15 -bound l=1:rc=1.30
 -bound l=2:rc=1.05

 Bound state(s): 
   l=0: rc = 1.15
   l=1: rc = 1.3
   l=2: rc = 1.05

 Ga Z=31  [Ar] 3d10 4s2 4p1
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 3.226e-08 rmax = 49.474
 total charge: 31.000

 Full atom solution:

 Weighted sum of eigenvalues:     -1127.433458
 electron-nucleus energy:         -4684.618200
 Coulomb interaction energy:        839.158340
 Exc-Vxc:                            22.653964
 Total energy:                    -1943.937833

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -375.944265    0.031676
  2     0  2.00  -46.389590    0.181525
  2     1  6.00  -40.381495    0.145358
  3     0  2.00   -5.443529    0.563144
  3     1  6.00   -3.633012    0.563144
  3     2 10.00   -0.703915    0.528504
  4     0  2.00   -0.328859    1.881346
  4     1  1.00   -0.094784    2.530074
 l=0 ic=114 rc: 1.150000
 l=1 ic=129 rc: 1.300000
 l=2 ic=104 rc: 1.050000
 dv: 10.220615
 eig: -0.328860 ae_eig: -0.328859 error: -2.014422e-08
 l = 0 ae_norm: 1.000004e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=9.300000e-01
 r[icn]: 1.730000e+00
 ae_outnorm: 7.339376e-01
 ps_outnorm: 6.982141e-01
 dl = -6.139884e-01
 outnorm error after correction: -2.203448e-09
 dv: 5.541939e+00
 eig: -9.478380e-02 ae_eig: -9.478380e-02 error: -6.017543e-10
 l = 1 ae_norm: 1.000000e+00
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=1.070000e+00
 r[icn]: 1.960000e+00
 ae_outnorm: 8.509180e-01
 ps_outnorm: 8.389032e-01
 dl = -3.868581e-01
 outnorm error after correction: 5.744161e-11
 dv: -8.438743e+00
 eig: -7.039150e-01 ae_eig: -7.039150e-01 error: 1.238306e-08
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=4.700000e-01
 r[icn]: 1.580000e+00
 ae_outnorm: 6.460082e-02
 ps_outnorm: 1.368982e-01
 dl = 1.664309e+00
 outnorm error after correction: -2.926482e-09
 integral of charge density: 1.300000e+01
 smooth_v
 matching v polynomial at r=5.800000e-01
 l=0 eigenvalue correction: 3.210246e-04
 matching v polynomial at r=6.500000e-01
 l=1 eigenvalue correction: -7.448144e-05
 matching v polynomial at r=5.300000e-01
 l=2 eigenvalue correction: 2.547151e-02

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.328859   -0.329584     -7.248145e-04
 l=1                   -0.094784   -0.094969     -1.853552e-04
 l=2                   -0.703915   -0.696103      7.812261e-03
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         1.730      0.733938    0.732731      1.206186e-03
 l=1         1.960      0.850918    0.849602      1.315660e-03
 l=2         1.580      0.064601    0.065820     -1.219259e-03
 truncating v[l=0] at i = 3898
 truncating v[l=1] at i = 3898
 truncating v[l=2] at i = 3898