Start of BlockGroundState. Converge 3 states to an energy with relative variance smaller than  1.490116119384766E-06

Start of BlockOperatorPsiSerialRestricted
Outer loop   1, Number of Determinants:        45        45 last variance  1.159112471523181E+00
Start of BlockOperatorPsiSerialRestricted
Start of BlockGroundState. Converge 3 states to an energy with relative variance smaller than  1.490116119384766E-06

Start of BlockOperatorPsiSerial
Outer loop   1, Number of Determinants:        32       100 last variance  8.359599622001442E+00
Start of BlockOperatorPsiSerial
Outer loop   2, Number of Determinants:       100       138 last variance  1.315915512292445E+00
Start of BlockOperatorPsiSerial
  #    <E>      <S^2>    <L^2>    <J^2>    <S_z^3d> <L_z^3d> <l.s>    <F[2]>   <F[4]>   <Neg^3d> <Nt2g^3d><Neg^Ld> <Nt2g^Ld><N^3d>
  1   -3.503    1.999   12.000   15.095   -0.908   -0.281   -0.305   -1.042   -0.924    2.186    5.990    3.825    6.000    8.175 
  2   -3.395    1.999   12.000   15.160   -0.004   -0.002   -0.322   -1.043   -0.925    2.189    5.988    3.823    6.000    8.178 
  3   -3.286    1.999   12.000   15.211    0.903    0.278   -0.336   -1.043   -0.925    2.193    5.987    3.820    6.000    8.180 
Start of LanczosTriDiagonalizeRR
Start of LanczosTriDiagonalizeRC
Start of LanczosTriDiagonalizeRR
Start of LanczosTriDiagonalizeRC
Start of LanczosTriDiagonalizeRR
Start of LanczosTriDiagonalizeRC
Start of LanczosTriDiagonalizeRC
Start of LanczosTriDiagonalizeRC
Start of LanczosTriDiagonalizeRC
Spectra printed to file: XASSigma_method1.dat
Prepare gnuplot-file for Sigma

Execute the gnuplot to produce plots and convert the output into a pdf-file
Start of LanczosBlockTriDiagonalize
Start of LanczosBlockTriDiagonalizeRC
Spectra printed to file: XASSigma_method2.dat
Prepare gnuplot-file for Sigma

Execute the gnuplot to produce plots and convert the output into a pdf-file
Spectra printed to file: XASSigma_diff.dat
Prepare gnuplot-file for Sigma

Execute the gnuplot to produce plots and convert the output into a pdf-file
Timing results
   Total_time | NumberOfRuns | Running | Name
      0:00:05 |            1 |       0 | Mehtod1
      0:00:17 |            2 |       0 | Broaden
      0:00:02 |            1 |       0 | Mehtod2