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 # 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 LanczosTriDiagonalizeRR Start of LanczosTriDiagonalizeRR Start of LanczosTriDiagonalizeRR Start of LanczosTriDiagonalizeRR Start of LanczosTriDiagonalizeRR Start of LanczosTriDiagonalizeRR Spectra printed to file: XASSpec.dat