PSGen-1.6.1

 PSgen arguments: 
 -element Mn -xc LDA -smooth_v -bound l=0:rc=1.35 -bound l=1:rc=1.05
 -bound l=2:rc=1.25

 Bound state(s): 
   l=0: rc = 1.35
   l=1: rc = 1.05
   l=2: rc = 1.25

 Mn Z=25  [Ar] 3d5 4s2
 xc = LDA scalar relativistic core = yes
 mmax = 2000 rmin = 4.000e-08 rmax = 49.479
 total charge: 25.000

 Full atom solution:

 Weighted sum of eigenvalues:      -684.848308
 electron-nucleus energy:         -2762.130998
 Coulomb interaction energy:        487.381139
 Exc-Vxc:                            16.091425
 Total energy:                    -1156.138022

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -235.733253    0.039530
  2     0  2.00  -27.275793    0.232067
  2     1  6.00  -23.143851    0.188210
  3     0  2.00   -3.138517    0.734417
  3     1  6.00   -2.002313    0.749962
  3     2  5.00   -0.257492    0.749962
  4     0  2.00   -0.194367    2.474933
 l=0 ic=134 rc: 1.350000
 l=1 ic=104 rc: 1.050000
 l=2 ic=124 rc: 1.250000
 dv: 9.388240
 eig: -0.194367 ae_eig: -0.194367 error: 4.304549e-09
 l = 0 ae_norm: 1.000001e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.370000e+00
 r[icn]: 2.030000e+00
 ae_outnorm: 8.201426e-01
 ps_outnorm: 8.098302e-01
 dl = -3.189780e-01
 outnorm error after correction: -6.499634e-11
 dv: -1.063997e+00
 eig: -2.002313e+00 ae_eig: -2.002313e+00 error: -3.158491e-10
 l = 1 ae_norm: 9.999999e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=3.400000e-01
 r[icn]: 1.580000e+00
 ae_outnorm: 5.380779e-02
 ps_outnorm: 5.542626e-02
 dl = 4.250183e-02
 outnorm error after correction: -1.591921e-13
 dv: -4.665587e+00
 eig: -2.574923e-01 ae_eig: -2.574923e-01 error: 1.544189e-08
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=5.800000e-01
 r[icn]: 1.880000e+00
 ae_outnorm: 1.519670e-01
 ps_outnorm: 2.423714e-01
 dl = 1.234809e+00
 outnorm error after correction: -2.269364e-10
 integral of charge density: 1.300000e+01
 smooth_v
 matching v polynomial at r=6.800000e-01
 l=0 eigenvalue correction: 7.046755e-06
 matching v polynomial at r=5.300000e-01
 l=1 eigenvalue correction: 1.607204e-03
 matching v polynomial at r=6.300000e-01
 l=2 eigenvalue correction: 6.357664e-05

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.194367   -0.194343      2.402676e-05
 l=1                   -2.002313   -2.001264      1.048440e-03
 l=2                   -0.257492   -0.257701     -2.087760e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.030      0.820143    0.820165     -2.288688e-05
 l=1         1.580      0.053808    0.053889     -8.072264e-05
 l=2         1.880      0.151967    0.151851      1.158750e-04
 truncating v[l=0] at i = 722
 truncating v[l=1] at i = 722
 truncating v[l=2] at i = 722