PSGen-1.6.0

 PSgen arguments: 
 -element Mn -xc PBE -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 = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 4.000e-08 rmax = 49.479
 total charge: 25.000

 Full atom solution:

 Weighted sum of eigenvalues:      -686.165566
 electron-nucleus energy:         -2765.002947
 Coulomb interaction energy:        487.548821
 Exc-Vxc:                            15.418601
 Total energy:                    -1158.295787

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00 -236.281577    0.039530
  2     0  2.00  -27.339600    0.232067
  2     1  6.00  -23.159010    0.188210
  3     0  2.00   -3.156012    0.734417
  3     1  6.00   -2.006265    0.749962
  3     2  5.00   -0.248833    0.757858
  4     0  2.00   -0.187687    2.500990
 l=0 ic=134 rc: 1.350000
 l=1 ic=104 rc: 1.050000
 l=2 ic=124 rc: 1.250000
 dv: 9.334204
 eig: -0.187687 ae_eig: -0.187687 error: -5.192044e-08
 l = 0 ae_norm: 1.000001e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.380000e+00
 r[icn]: 2.030000e+00
 ae_outnorm: 8.244343e-01
 ps_outnorm: 8.137046e-01
 dl = -3.362129e-01
 outnorm error after correction: -4.723427e-10
 dv: -9.830024e-01
 eig: -2.006265e+00 ae_eig: -2.006265e+00 error: 9.226309e-11
 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: 5.280013e-02
 ps_outnorm: 5.401453e-02
 dl = 3.238658e-02
 outnorm error after correction: -1.196265e-14
 dv: -4.632518e+00
 eig: -2.488331e-01 ae_eig: -2.488331e-01 error: -7.243497e-09
 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: 1.517174e-01
 ps_outnorm: 2.410339e-01
 dl = 1.213868e+00
 outnorm error after correction: 3.291296e-09
 integral of charge density: 1.300000e+01
 smooth_v
 matching v polynomial at r=6.800000e-01
 l=0 eigenvalue correction: -2.036628e-05
 matching v polynomial at r=5.300000e-01
 l=1 eigenvalue correction: 1.174222e-02
 matching v polynomial at r=6.300000e-01
 l=2 eigenvalue correction: -1.236298e-03

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.187687   -0.187404      2.836744e-04
 l=1                   -2.006265   -1.997151      9.114165e-03
 l=2                   -0.248833   -0.250918     -2.085359e-03
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.030      0.824434    0.824632     -1.973730e-04
 l=1         1.580      0.052800    0.053434     -6.334449e-04
 l=2         1.880      0.151717    0.150439      1.277933e-03
 truncating v[l=0] at i = 3022
 truncating v[l=1] at i = 3022
 truncating v[l=2] at i = 3022