*********** spin-orbit calculation ************** non-spin polarized case LMAX= 4 S-O eigenvectors and eigenvalues Emin= -10.0000 Emax= 2.5000 SOC on atom 2 SWITCHED OFF !!! 0.0 0.0 angle (M,z), angle (M,x) deg 556 3 ATOMIC PARAMETERS FOR 1 SPIN=1 ENERGY PARAMETERS ARE 0.30 -0.77 0.53 0.69 0.30 0.30 0.30 for lo: 0.30 -0.77 0.53 0.69 -2.92 0.30 997.00 997.00 999.00 999.00 999.00 999.00 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 0.4097084548E+00 0.4334622283E-01 -0.9099986704E-01 -0.2808234981E+00 0.2578709389E-01 1 0.1080232358E+00 -0.1166631029E+00 -0.4763930102E+00 -0.5141357225E+00 0.6891688902E+00 2 -0.3351253623E+00 0.6337297613E-03 0.1732418278E+00 0.3312396934E+00 0.9071170123E-01 3 -0.7415888128E-01 0.6389093188E-01 0.9088814771E+00 0.7157051468E+00 0.2985978887E+01 4 0.6024118378E+00 0.7134299009E+00 -0.4983654265E-01 -0.2434624847E+00 0.5447755322E-02 LO COEFFICIENT: l,A,B,C 0 0.81038 3.64858 0.00000 LO COEFFICIENT: l,A,B,C 0 0.09541 0.00000 0.98882 LO COEFFICIENT: l,A,B,C 1 0.98274 0.22284 0.00000 LO COEFFICIENT: l,A,B,C 1 0.81002 0.00000 0.26639 LO COEFFICIENT: l,A,B,C 2 0.86405 1.67144 0.00000 LO COEFFICIENT: l,A,B,C 3 0.99021 0.08079 0.00000 -4.97000000000000 relativistic lo: 1 -1.42000000000008 0.108023235844455 RLO COEFFICIENT: l,A,B,C 1 1.69207 0.00000 -2.57923 ATOMIC PARAMETERS FOR 2 SPIN=1 ENERGY PARAMETERS ARE -1.15 0.30 0.30 0.30 0.30 0.30 0.30 for lo: -1.15 0.30 999.00 999.00 0.60 997.00 999.00 999.00 999.00 999.00 999.00 999.00 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.6212304023E+00 0.8322857515E-01 0.2052318049E+00 0.4921622406E+00 0.3046970812E-01 1 0.5154685743E+00 -0.2874555101E+00 -0.2606413140E+00 -0.4809700877E+00 0.5480918916E-01 2 0.1035868787E+01 0.8875430429E+00 -0.7201729008E-01 -0.3733598744E+00 0.2961807937E-02 3 0.1234308272E+01 0.1891278049E+01 -0.4530265750E-01 -0.3309574350E+00 0.9275894441E-03 4 0.1388063032E+01 0.2980592270E+01 -0.3298063186E-01 -0.3033820159E+00 0.4141471203E-03 LO COEFFICIENT: l,A,B,C 0 0.88417 2.67635 0.00000 LO COEFFICIENT: l,A,B,C 0 0.37133 0.00000 -1.33509 LO COEFFICIENT: l,A,B,C 1 0.90745 1.79466 0.00000 Seclr4(Cholesky complete) : 0.100 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.00000 0.00000 0.00000 1 MATRIX SIZE= 122 WEIGHT= 1.00 EIGENVALUES ARE: -2.9198840 -2.9198840 -1.3924011 -1.3924011 -0.5100006 -0.5100006 -0.5100006 -0.5100006 -0.3530796 -0.3530796 0.4965250 0.4965250 0.4965250 0.4965250 0.4996989 0.4996989 0.6211501 0.6211501 0.7157024 0.7157024 0.7157024 0.7157024 0.7326536 0.7326536 0.8068568 0.8068568 0.8307739 0.8307739 0.8307739 0.8307739 0.8479189 0.8479189 0.8479189 0.8479189 0.8544480 0.8544480 0.8783221 0.8783221 1.0579366 1.0579366 1.0579366 1.0579366 1.5299564 1.5299564 2.4467268 2.4467268 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.130 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.05556 0.05556 -0.05556 2 MATRIX SIZE= 120 WEIGHT= 8.00 EIGENVALUES ARE: -2.9197361 -2.9197361 -1.3928878 -1.3928878 -0.5188936 -0.5188936 -0.5103701 -0.5103701 -0.3429102 -0.3429102 0.4887519 0.4887519 0.4946191 0.4946191 0.4969086 0.4969086 0.6208453 0.6208453 0.7109374 0.7109374 0.7112008 0.7112008 0.7305213 0.7305213 0.8024758 0.8024758 0.8190519 0.8190519 0.8327473 0.8327473 0.8365960 0.8365960 0.8609948 0.8609948 0.8724710 0.8724710 0.8913334 0.8913334 1.0724174 1.0724174 1.0736291 1.0736291 1.5440239 1.5440239 2.3894076 2.3894076 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.160 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.11111 0.11111 -0.11111 3 MATRIX SIZE= 116 WEIGHT= 8.00 EIGENVALUES ARE: -2.9193097 -2.9193097 -1.3943626 -1.3943626 -0.5400871 -0.5400871 -0.5114208 -0.5114208 -0.3180318 -0.3180318 0.4657998 0.4657998 0.4890452 0.4890452 0.4910604 0.4910604 0.6202666 0.6202666 0.6990784 0.6990784 0.6994046 0.6994046 0.7269665 0.7269665 0.7867127 0.7867127 0.7996637 0.7996637 0.8179987 0.8179987 0.8590019 0.8590019 0.8874241 0.8874241 0.9018438 0.9018438 0.9195952 0.9195952 1.1103978 1.1103978 1.1147079 1.1147079 1.5851042 1.5851042 2.2684904 2.2684904 2.4240543 2.4240543 2.4716275 2.4716275 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.180 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.020 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.16667 0.16667 -0.16667 4 MATRIX SIZE= 112 WEIGHT= 8.00 EIGENVALUES ARE: -2.9186552 -2.9186552 -1.3965795 -1.3965795 -0.5654527 -0.5654527 -0.5129968 -0.5129968 -0.2869051 -0.2869051 0.4337326 0.4337326 0.4802796 0.4802796 0.4823268 0.4823268 0.6202023 0.6202023 0.6843332 0.6843332 0.6848211 0.6848211 0.7243626 0.7243626 0.7729086 0.7729086 0.7809177 0.7809177 0.7993607 0.7993607 0.8947025 0.8947025 0.9228080 0.9228080 0.9405152 0.9405152 0.9541938 0.9541938 1.1628410 1.1628410 1.1711837 1.1711837 1.6495586 1.6495586 2.1360391 2.1360391 2.3166194 2.3166194 2.3749588 2.3749588 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.210 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.22222 0.22222 -0.22222 5 MATRIX SIZE= 112 WEIGHT= 8.00 EIGENVALUES ARE: -2.9178500 -2.9178500 -1.3994677 -1.3994677 -0.5903474 -0.5903474 -0.5149323 -0.5149323 -0.2547109 -0.2547109 0.3979641 0.3979641 0.4692502 0.4692502 0.4716679 0.4716679 0.6213630 0.6213630 0.6697963 0.6697963 0.6713504 0.6713504 0.7227757 0.7227757 0.7631301 0.7631301 0.7658082 0.7658082 0.7840095 0.7840095 0.9291530 0.9291530 0.9647075 0.9647075 0.9850233 0.9850233 0.9977027 0.9977027 1.2234169 1.2234169 1.2360453 1.2360453 1.7291453 1.7291453 2.0122221 2.0122221 2.1987194 2.1987194 2.2601142 2.2601142 2.4931431 2.4931431 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.230 Seclr4(Transform to eigenwertproblem) : 0.010 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.27778 0.27778 -0.27778 6 MATRIX SIZE= 112 WEIGHT= 8.00 EIGENVALUES ARE: -2.9169903 -2.9169903 -1.4025633 -1.4025633 -0.6124467 -0.6124467 -0.5169597 -0.5169597 -0.2244610 -0.2244610 0.3626640 0.3626640 0.4572870 0.4572870 0.4604134 0.4604134 0.6238682 0.6238682 0.6572764 0.6572764 0.6606345 0.6606345 0.7220450 0.7220450 0.7547525 0.7547525 0.7567218 0.7567218 0.7728970 0.7728970 0.9586318 0.9586318 1.0103482 1.0103482 1.0304946 1.0304946 1.0513795 1.0513795 1.2880012 1.2880012 1.3047644 1.3047644 1.7898417 1.7898417 1.9294750 1.9294750 2.0814481 2.0814481 2.1393842 2.1393842 2.4221295 2.4221295 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.260 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.33333 0.33333 -0.33333 7 MATRIX SIZE= 110 WEIGHT= 8.00 EIGENVALUES ARE: -2.9161799 -2.9161799 -1.4053886 -1.4053886 -0.6304953 -0.6304953 -0.5188343 -0.5188343 -0.1982433 -0.1982433 0.3311463 0.3311463 0.4459490 0.4459490 0.4499707 0.4499707 0.6271122 0.6271122 0.6475698 0.6475698 0.6528785 0.6528785 0.7221035 0.7221035 0.7471481 0.7471481 0.7529279 0.7529279 0.7656233 0.7656233 0.9837767 0.9837767 1.0560285 1.0560285 1.0770390 1.0770390 1.1062947 1.1062947 1.3534654 1.3534654 1.3738261 1.3738261 1.7444236 1.7444236 1.9271825 1.9271825 2.0155898 2.0155898 2.0224321 2.0224321 2.3556200 2.3556200 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.280 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.38889 0.38889 -0.38889 8 MATRIX SIZE= 104 WEIGHT= 8.00 EIGENVALUES ARE: -2.9155173 -2.9155173 -1.4077313 -1.4077313 -0.6437944 -0.6437944 -0.5203389 -0.5203389 -0.1778298 -0.1778298 0.3061741 0.3061741 0.4367055 0.4367055 0.4415787 0.4415787 0.6301495 0.6301495 0.6408164 0.6408164 0.6477657 0.6477657 0.7226952 0.7226952 0.7422697 0.7422697 0.7510072 0.7510072 0.7613853 0.7613853 1.0049241 1.0049241 1.0965245 1.0965245 1.1202577 1.1202577 1.1543179 1.1543179 1.4165237 1.4165237 1.4394272 1.4394272 1.6717747 1.6717747 1.8395210 1.8395210 1.9177147 1.9177147 2.0824065 2.0824065 2.3122896 2.3122896 2.4772693 2.4772693 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.300 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.44444 0.44444 -0.44444 9 MATRIX SIZE= 104 WEIGHT= 8.00 EIGENVALUES ARE: -2.9150838 -2.9150838 -1.4092903 -1.4092903 -0.6519222 -0.6519222 -0.5213134 -0.5213134 -0.1647745 -0.1647745 0.2900609 0.2900609 0.4306908 0.4306908 0.4361660 0.4361660 0.6321689 0.6321689 0.6368733 0.6368733 0.6449036 0.6449036 0.7233340 0.7233340 0.7395578 0.7395578 0.7501896 0.7501896 0.7593720 0.7593720 1.0200387 1.0200387 1.1251492 1.1251492 1.1524449 1.1524449 1.1876328 1.1876328 1.4697092 1.4697092 1.4939983 1.4939983 1.6237053 1.6237053 1.7548492 1.7548492 1.8370702 1.8370702 2.1288047 2.1288047 2.3136670 2.3136670 2.4509097 2.4509097 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.320 Seclr4(Transform to eigenwertproblem) : 0.010 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.50000 -0.50000 10 MATRIX SIZE= 104 WEIGHT= 4.00 EIGENVALUES ARE: -2.9149331 -2.9149331 -1.4098408 -1.4098408 -0.6546549 -0.6546549 -0.5216497 -0.5216497 -0.1602684 -0.1602684 0.2844815 0.2844815 0.4286090 0.4286090 0.4343000 0.4343000 0.6328576 0.6328576 0.6355805 0.6355805 0.6439936 0.6439936 0.7235972 0.7235972 0.7386893 0.7386893 0.7499652 0.7499652 0.7588249 0.7588249 1.0256819 1.0256819 1.1355953 1.1355953 1.1646779 1.1646779 1.1996208 1.1996208 1.4925875 1.4925875 1.5180969 1.5180969 1.6113670 1.6113670 1.7151356 1.7151356 1.8037380 1.8037380 2.1369483 2.1369483 2.3293824 2.3293824 2.4414177 2.4414177 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.350 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.11111 0.00000 0.00000 11 MATRIX SIZE= 116 WEIGHT= 6.00 EIGENVALUES ARE: -2.9196868 -2.9196868 -1.3929760 -1.3929760 -0.5203926 -0.5203926 -0.5116776 -0.5116776 -0.3399024 -0.3399024 0.4811412 0.4811412 0.4970245 0.4970245 0.4988065 0.4988065 0.6207174 0.6207174 0.7052276 0.7052276 0.7150222 0.7150222 0.7295078 0.7295078 0.8039743 0.8039743 0.8152758 0.8152758 0.8308258 0.8308258 0.8420769 0.8420769 0.8486206 0.8486206 0.8814697 0.8814697 0.8993662 0.8993662 1.0628820 1.0628820 1.0919418 1.0919418 1.5485656 1.5485656 2.3785608 2.3785608 2.4970460 2.4970460 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.380 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.16667 0.05556 -0.05556 12 MATRIX SIZE= 116 WEIGHT=24.00 EIGENVALUES ARE: -2.9193535 -2.9193535 -1.3941515 -1.3941515 -0.5363511 -0.5363511 -0.5129637 -0.5129637 -0.3209733 -0.3209733 0.4616239 0.4616239 0.4940736 0.4940736 0.4964428 0.4964428 0.6201604 0.6201604 0.6942353 0.6942353 0.7089305 0.7089305 0.7264545 0.7264545 0.7921976 0.7921976 0.8015456 0.8015456 0.8214278 0.8214278 0.8525734 0.8525734 0.8634296 0.8634296 0.9079412 0.9079412 0.9253440 0.9253440 1.0823689 1.0823689 1.1325841 1.1325841 1.5802743 1.5802743 2.2876848 2.2876848 2.4137711 2.4137711 2.4964493 2.4964493 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.400 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.020 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.22222 0.11111 -0.11111 13 MATRIX SIZE= 114 WEIGHT=24.00 EIGENVALUES ARE: -2.9187753 -2.9187753 -1.3962129 -1.3962129 -0.5593369 -0.5593369 -0.5144443 -0.5144443 -0.2934704 -0.2934704 0.4349473 0.4349473 0.4848147 0.4848147 0.4909472 0.4909472 0.6198608 0.6198608 0.6812380 0.6812380 0.6954022 0.6954022 0.7242980 0.7242980 0.7769523 0.7769523 0.7842432 0.7842432 0.8049967 0.8049967 0.8730945 0.8730945 0.9042567 0.9042567 0.9422469 0.9422469 0.9580201 0.9580201 1.1250262 1.1250262 1.1861017 1.1861017 1.6366085 1.6366085 2.1619201 2.1619201 2.3151023 2.3151023 2.4342819 2.4342819 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.430 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.27778 0.16667 -0.16667 14 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9180206 -2.9180206 -1.3988203 -1.3988203 -0.5834951 -0.5834951 -0.5163240 -0.5163240 -0.2632818 -0.2632818 0.4041003 0.4041003 0.4726288 0.4726288 0.4824440 0.4824440 0.6206293 0.6206293 0.6686087 0.6686087 0.6802204 0.6802204 0.7228878 0.7228878 0.7648174 0.7648174 0.7695718 0.7695718 0.7892488 0.7892488 0.8990186 0.8990186 0.9556785 0.9556785 0.9833462 0.9833462 0.9945621 0.9945621 1.1816848 1.1816848 1.2464164 1.2464164 1.7115840 1.7115840 2.0347912 2.0347912 2.2063319 2.2063319 2.3335712 2.3335712 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.450 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.33333 0.22222 -0.22222 15 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9171792 -2.9171792 -1.4018439 -1.4018439 -0.6058375 -0.6058375 -0.5184322 -0.5184322 -0.2339830 -0.2339830 0.3723284 0.3723284 0.4599705 0.4599705 0.4718347 0.4718347 0.6228233 0.6228233 0.6577023 0.6577023 0.6667797 0.6667797 0.7221294 0.7221294 0.7553999 0.7553999 0.7596695 0.7596695 0.7767062 0.7767062 0.9275930 0.9275930 1.0062692 1.0062692 1.0303560 1.0303560 1.0378152 1.0378152 1.2462189 1.2462189 1.3093531 1.3093531 1.7846641 1.7846641 1.9317549 1.9317549 2.0937713 2.0937713 2.2173455 2.2173455 2.4423775 2.4423775 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.480 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.38889 0.27778 -0.27778 16 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9163524 -2.9163524 -1.4047457 -1.4047457 -0.6247388 -0.6247388 -0.5204841 -0.5204841 -0.2079050 -0.2079050 0.3426821 0.3426821 0.4486483 0.4486483 0.4605227 0.4605227 0.6260468 0.6260468 0.6488943 0.6488943 0.6565519 0.6565519 0.7220551 0.7220551 0.7480525 0.7480525 0.7541101 0.7541101 0.7679612 0.7679612 0.9568084 0.9568084 1.0467721 1.0467721 1.0772798 1.0772798 1.0932818 1.0932818 1.3147834 1.3147834 1.3716212 1.3716212 1.7620654 1.7620654 1.9271868 1.9271868 1.9978645 1.9978645 2.1044890 2.1044890 2.3747100 2.3747100 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.500 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.44444 0.33333 -0.33333 17 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9156403 -2.9156403 -1.4072054 -1.4072054 -0.6392813 -0.6392813 -0.5222366 -0.5222366 -0.1868096 -0.1868096 0.3178925 0.3178925 0.4398990 0.4398990 0.4500982 0.4500982 0.6293639 0.6293639 0.6422137 0.6422137 0.6497398 0.6497398 0.7225516 0.7225516 0.7429534 0.7429534 0.7512718 0.7512718 0.7625409 0.7625409 0.9849774 0.9849774 1.0787390 1.0787390 1.1184012 1.1184012 1.1511527 1.1511527 1.3840104 1.3840104 1.4302491 1.4302491 1.6833721 1.6833721 1.8649343 1.8649343 1.9622220 1.9622220 2.0758412 2.0758412 2.3243253 2.3243253 2.4792082 2.4792082 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.530 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.50000 0.38889 -0.38889 18 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9151303 -2.9151303 -1.4090318 -1.4090318 -0.6489356 -0.6489356 -0.5234866 -0.5234866 -0.1721716 -0.1721716 0.3002940 0.3002940 0.4343098 0.4343098 0.4421778 0.4421778 0.6318798 0.6318798 0.6378017 0.6378017 0.6458139 0.6458139 0.7232295 0.7232295 0.7398687 0.7398687 0.7500327 0.7500327 0.7596893 0.7596893 1.0090610 1.0090610 1.1014510 1.1014510 1.1471502 1.1471502 1.1999643 1.1999643 1.4475133 1.4475133 1.4810827 1.4810827 1.6216436 1.6216436 1.7824411 1.7824411 1.8772398 1.8772398 2.1281894 2.1281894 2.3131131 2.3131131 2.4485608 2.4485608 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.550 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.55556 0.44444 -0.44444 19 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9148852 -2.9148852 -1.4099295 -1.4099295 -0.6533901 -0.6533901 -0.5240898 -0.5240898 -0.1651346 -0.1651346 0.2916842 0.2916842 0.4315497 0.4315497 0.4385272 0.4385272 0.6330838 0.6330838 0.6357536 0.6357536 0.6441820 0.6441820 0.7236410 0.7236410 0.7385344 0.7385344 0.7496190 0.7496190 0.7586139 0.7586139 1.0232646 1.0232646 1.1138981 1.1138981 1.1565209 1.1565209 1.2279524 1.2279524 1.4867250 1.4867250 1.5131645 1.5131645 1.5935592 1.5935592 1.7328358 1.7328358 1.8221728 1.8221728 2.1444610 2.1444610 2.3328728 2.3328728 2.4337171 2.4337171 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.570 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.61111 0.50000 -0.50000 20 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9149353 -2.9149353 -1.4097426 -1.4097426 -0.6525157 -0.6525157 -0.5239773 -0.5239773 -0.1663305 -0.1663305 0.2930417 0.2930417 0.4311090 0.4311090 0.4402807 0.4402807 0.6328672 0.6328672 0.6361141 0.6361141 0.6445253 0.6445253 0.7235547 0.7235547 0.7388264 0.7388264 0.7497165 0.7497165 0.7587468 0.7587468 1.0221789 1.0221789 1.1160307 1.1160307 1.1445521 1.1445521 1.2245443 1.2245443 1.4791267 1.4791267 1.5062216 1.5062216 1.5988105 1.5988105 1.7471426 1.7471426 1.8314613 1.8314613 2.1421639 2.1421639 2.3267599 2.3267599 2.4369641 2.4369641 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.590 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.55556 -0.55556 21 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9152746 -2.9152746 -1.4085085 -1.4085085 -0.6463409 -0.6463409 -0.5231552 -0.5231552 -0.1756842 -0.1756842 0.3042784 0.3042784 0.4336559 0.4336559 0.4465743 0.4465743 0.6312276 0.6312276 0.6388997 0.6388997 0.6469050 0.6469050 0.7230190 0.7230190 0.7407733 0.7407733 0.7503875 0.7503875 0.7602042 0.7602042 1.0073312 1.0073312 1.1010187 1.1010187 1.1198499 1.1198499 1.1912982 1.1912982 1.4297276 1.4297276 1.4665535 1.4665535 1.6381573 1.6381573 1.8137734 1.8137734 1.9001527 1.9001527 2.1135185 2.1135185 2.3111718 2.3111718 2.4577430 2.4577430 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.610 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.72222 0.61111 -0.61111 22 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9158608 -2.9158608 -1.4065054 -1.4065054 -0.6350637 -0.6350637 -0.5217101 -0.5217101 -0.1924350 -0.1924350 0.3242772 0.3242772 0.4395164 0.4395164 0.4560672 0.4560672 0.6283827 0.6283827 0.6440581 0.6440581 0.6517068 0.6517068 0.7223558 0.7223558 0.7445399 0.7445399 0.7521124 0.7521124 0.7636485 0.7636485 0.9849905 0.9849905 1.0628292 1.0628292 1.0936001 1.0936001 1.1394923 1.1394923 1.3645191 1.3645191 1.4113328 1.4113328 1.7071850 1.7071850 1.8961900 1.8961900 1.9925908 1.9925908 2.0563851 2.0563851 2.3375382 2.3375382 2.4926538 2.4926538 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.640 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.66667 -0.66667 23 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9166221 -2.9166221 -1.4038560 -1.4038560 -0.6190529 -0.6190529 -0.5197853 -0.5197853 -0.2153143 -0.2153143 0.3511713 0.3511713 0.4482600 0.4482600 0.4673764 0.4673764 0.6250120 0.6250120 0.6515181 0.6515181 0.6594706 0.6594706 0.7220356 0.7220356 0.7503361 0.7503361 0.7558707 0.7558707 0.7698132 0.7698132 0.9598464 0.9598464 1.0167103 1.0167103 1.0590746 1.0590746 1.0804508 1.0804508 1.2968510 1.2968510 1.3490880 1.3490880 1.7826411 1.7826411 1.9114145 1.9114145 2.0460627 2.0460627 2.1287959 2.1287959 2.3955640 2.3955640 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.660 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.72222 -0.72222 24 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9174654 -2.9174654 -1.4008273 -1.4008273 -0.5989602 -0.5989602 -0.5175895 -0.5175895 -0.2427417 -0.2427417 0.3825886 0.3825886 0.4589606 0.4589606 0.4789055 0.4789055 0.6220679 0.6220679 0.6612412 0.6612412 0.6704575 0.6704575 0.7223736 0.7223736 0.7580814 0.7580814 0.7630967 0.7630967 0.7793072 0.7793072 0.9337284 0.9337284 0.9710307 0.9710307 1.0110490 1.0110490 1.0285825 1.0285825 1.2311429 1.2311429 1.2840492 1.2840492 1.7642198 1.7642198 1.9529108 1.9529108 2.1478029 2.1478029 2.2506265 2.2506265 2.4645350 2.4645350 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.690 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.88889 0.77778 -0.77778 25 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9182886 -2.9182886 -1.3978802 -1.3978802 -0.5759233 -0.5759233 -0.5153583 -0.5153583 -0.2727827 -0.2727827 0.4157323 0.4157323 0.4703695 0.4703695 0.4889295 0.4889295 0.6203464 0.6203464 0.6731953 0.6731953 0.6840252 0.6840252 0.7234301 0.7234301 0.7679296 0.7679296 0.7748394 0.7748394 0.7922150 0.7922150 0.9068816 0.9068816 0.9297924 0.9297924 0.9563621 0.9563621 0.9870661 0.9870661 1.1703583 1.1703583 1.2196330 1.2196330 1.6853898 1.6853898 2.0688268 2.0688268 2.2556636 2.2556636 2.3714647 2.3714647 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.710 Seclr4(Transform to eigenwertproblem) : 0.010 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.83333 -0.83333 26 MATRIX SIZE= 114 WEIGHT=24.00 EIGENVALUES ARE: -2.9189932 -2.9189932 -1.3954557 -1.3954557 -0.5519579 -0.5519579 -0.5133295 -0.5133295 -0.3027487 -0.3027487 0.4473068 0.4473068 0.4810936 0.4810936 0.4957960 0.4957960 0.6199861 0.6199861 0.6867902 0.6867902 0.6981002 0.6981002 0.7252579 0.7252579 0.7810333 0.7810333 0.7898540 0.7898540 0.8074796 0.8074796 0.8786407 0.8786407 0.8954974 0.8954974 0.9125454 0.9125454 0.9484255 0.9484255 1.1186334 1.1186334 1.1595037 1.1595037 1.6155965 1.6155965 2.1977617 2.1977617 2.3546753 2.3546753 2.4756783 2.4756783 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.740 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.88889 -0.88889 27 MATRIX SIZE= 118 WEIGHT=12.00 EIGENVALUES ARE: -2.9194954 -2.9194954 -1.3937099 -1.3937099 -0.5308516 -0.5308516 -0.5115831 -0.5115831 -0.3283800 -0.3283800 0.4734028 0.4734028 0.4898184 0.4898184 0.4981435 0.4981435 0.6204277 0.6204277 0.7003638 0.7003638 0.7086257 0.7086257 0.7279996 0.7279996 0.7954272 0.7954272 0.8051904 0.8051904 0.8235621 0.8235621 0.8507706 0.8507706 0.8708241 0.8708241 0.8872106 0.8872106 0.9134070 0.9134070 1.0830290 1.0830290 1.1083381 1.1083381 1.5669647 1.5669647 2.3175265 2.3175265 2.4415325 2.4415325 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.760 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.22222 0.00000 0.00000 28 MATRIX SIZE= 114 WEIGHT= 6.00 EIGENVALUES ARE: -2.9191194 -2.9191194 -1.3949028 -1.3949028 -0.5430182 -0.5430182 -0.5165086 -0.5165086 -0.3107442 -0.3107442 0.4437774 0.4437774 0.4987357 0.4987357 0.4991184 0.4991184 0.6195769 0.6195769 0.6855930 0.6855930 0.7115159 0.7115159 0.7232652 0.7232652 0.7891941 0.7891941 0.7995259 0.7995259 0.8251860 0.8251860 0.8322664 0.8322664 0.8641235 0.8641235 0.9324479 0.9324479 0.9501059 0.9501059 1.0773892 1.0773892 1.1713240 1.1713240 1.6015752 1.6015752 2.2520407 2.2520407 2.3799024 2.3799024 2.4233117 2.4233117 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.790 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.27778 0.05556 -0.05556 29 MATRIX SIZE= 114 WEIGHT=24.00 EIGENVALUES ARE: -2.9186350 -2.9186350 -1.3965901 -1.3965901 -0.5593055 -0.5593055 -0.5190198 -0.5190198 -0.2912678 -0.2912678 0.4225084 0.4225084 0.4954467 0.4954467 0.4979317 0.4979317 0.6190491 0.6190491 0.6753789 0.6753789 0.7028112 0.7028112 0.7221620 0.7221620 0.7783633 0.7783633 0.7857553 0.7857553 0.8114588 0.8114588 0.8406284 0.8406284 0.8931165 0.8931165 0.9644695 0.9644695 0.9824693 0.9824693 1.1005674 1.1005674 1.2206519 1.2206519 1.6477011 1.6477011 2.1585850 2.1585850 2.2907241 2.2907241 2.3905603 2.3905603 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.810 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.33333 0.11111 -0.11111 30 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9179573 -2.9179573 -1.3989681 -1.3989681 -0.5797331 -0.5797331 -0.5211675 -0.5211675 -0.2674927 -0.2674927 0.4003584 0.4003584 0.4851980 0.4851980 0.4932075 0.4932075 0.6194527 0.6194527 0.6651153 0.6651153 0.6885817 0.6885817 0.7219478 0.7219478 0.7663718 0.7663718 0.7702093 0.7702093 0.7970411 0.7970411 0.8577314 0.8577314 0.9420008 0.9420008 1.0002840 1.0002840 1.0191134 1.0191134 1.1453630 1.1453630 1.2747980 1.2747980 1.7146063 1.7146063 2.0382291 2.0382291 2.1907549 2.1907549 2.3489213 2.3489213 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.840 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.38889 0.16667 -0.16667 31 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9171669 -2.9171669 -1.4017558 -1.4017558 -0.6002132 -0.6002132 -0.5234812 -0.5234812 -0.2431436 -0.2431436 0.3783712 0.3783712 0.4717131 0.4717131 0.4853335 0.4853335 0.6213931 0.6213931 0.6559541 0.6559541 0.6741221 0.6741221 0.7218092 0.7218092 0.7552019 0.7552019 0.7605646 0.7605646 0.7834933 0.7834933 0.8798729 0.8798729 1.0016075 1.0016075 1.0358995 1.0358995 1.0602491 1.0602491 1.2036250 1.2036250 1.3297309 1.3297309 1.7884124 1.7884124 1.9261720 1.9261720 2.0872806 2.0872806 2.2790091 2.2790091 2.4711003 2.4711003 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.860 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.44444 0.22222 -0.22222 32 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9163584 -2.9163584 -1.4045774 -1.4045774 -0.6184874 -0.6184874 -0.5258694 -0.5258694 -0.2206900 -0.2206900 0.3572686 0.3572686 0.4588004 0.4588004 0.4753707 0.4753707 0.6247088 0.6247088 0.6484892 0.6484892 0.6619385 0.6619385 0.7219693 0.7219693 0.7473310 0.7473310 0.7544377 0.7544377 0.7726897 0.7726897 0.9063878 0.9063878 1.0563414 1.0563414 1.0755320 1.0755320 1.1050161 1.1050161 1.2702053 1.2702053 1.3824780 1.3824780 1.7722975 1.7722975 1.9149361 1.9149361 1.9905425 1.9905425 2.1931750 2.1931750 2.3960426 2.3960426 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.880 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.27778 -0.27778 33 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9156297 -2.9156297 -1.4070171 -1.4070171 -0.6332582 -0.6332582 -0.5280810 -0.5280810 -0.2017677 -0.2017677 0.3381246 0.3381246 0.4490583 0.4490583 0.4648328 0.4648328 0.6284959 0.6284959 0.6428012 0.6428012 0.6529882 0.6529882 0.7225102 0.7225102 0.7423641 0.7423641 0.7507808 0.7507808 0.7652311 0.7652311 0.9368158 0.9368158 1.0803337 1.0803337 1.1290012 1.1290012 1.1547755 1.1547755 1.3415019 1.3415019 1.4310298 1.4310298 1.6835252 1.6835252 1.8787798 1.8787798 1.9873120 1.9873120 2.1264473 2.1264473 2.3406887 2.3406887 2.4624651 2.4624651 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.910 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.55556 0.33333 -0.33333 34 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9150697 -2.9150697 -1.4090106 -1.4090106 -0.6437960 -0.6437960 -0.5298313 -0.5298313 -0.1875649 -0.1875649 0.3225329 0.3225329 0.4431587 0.4431587 0.4557508 0.4557508 0.6316544 0.6316544 0.6387838 0.6387838 0.6473804 0.6473804 0.7232220 0.7232220 0.7394503 0.7394503 0.7490080 0.7490080 0.7607581 0.7607581 0.9701717 0.9701717 1.0884979 1.0884979 1.1598037 1.1598037 1.2128306 1.2128306 1.4120702 1.4120702 1.4736388 1.4736388 1.6078943 1.6078943 1.8042698 1.8042698 1.9434106 1.9434106 2.1444157 2.1444157 2.3234791 2.3234791 2.4274796 2.4274796 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.930 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.61111 0.38889 -0.38889 35 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9147474 -2.9147474 -1.4101846 -1.4101846 -0.6496467 -0.6496467 -0.5308847 -0.5308847 -0.1789308 -0.1789308 0.3122382 0.3122382 0.4393261 0.4393261 0.4512880 0.4512880 0.6334627 0.6334627 0.6364403 0.6364403 0.6447274 0.6447274 0.7237435 0.7237435 0.7380582 0.7380582 0.7484135 0.7484135 0.7585512 0.7585512 1.0026634 1.0026634 1.0840755 1.0840755 1.1670495 1.1670495 1.2571501 1.2571501 1.4674806 1.4674806 1.5043515 1.5043515 1.5622960 1.5622960 1.7597946 1.7597946 1.8746950 1.8746950 2.1648571 2.1648571 2.3445285 2.3445285 2.4090516 2.4090516 2.4964087 2.4964087 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.950 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.44444 -0.44444 36 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9147025 -2.9147025 -1.4103599 -1.4103599 -0.6506011 -0.6506011 -0.5310869 -0.5310869 -0.1764980 -0.1764980 0.3086784 0.3086784 0.4358484 0.4358484 0.4536023 0.4536023 0.6338971 0.6338971 0.6358039 0.6358039 0.6444902 0.6444902 0.7238398 0.7238398 0.7379946 0.7379946 0.7484729 0.7484729 0.7579177 0.7579177 1.0215514 1.0215514 1.0781859 1.0781859 1.1518122 1.1518122 1.2652335 1.2652335 1.4831719 1.4831719 1.5098383 1.5098383 1.5587065 1.5587065 1.7633373 1.7633373 1.8510057 1.8510057 2.1662965 2.1662965 2.3511890 2.3511890 2.4075693 2.4075693 2.4926677 2.4926677 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.980 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.72222 0.50000 -0.50000 37 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9149409 -2.9149409 -1.4094794 -1.4094794 -0.6466414 -0.6466414 -0.5303734 -0.5303734 -0.1806151 -0.1806151 0.3126399 0.3126399 0.4344413 0.4344413 0.4606645 0.4606645 0.6327649 0.6327649 0.6371741 0.6371741 0.6464859 0.6464859 0.7234862 0.7234862 0.7392464 0.7392464 0.7491192 0.7491192 0.7586749 0.7586749 1.0111410 1.0111410 1.0847293 1.0847293 1.1189633 1.1189633 1.2339991 1.2339991 1.4506116 1.4506116 1.4902726 1.4902726 1.5885642 1.5885642 1.8082986 1.8082986 1.8993763 1.8993763 2.1531736 2.1531736 2.3277787 2.3277787 2.4221711 2.4221711 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.55556 -0.55556 38 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9154329 -2.9154329 -1.4079820 -1.4079820 -0.6379800 -0.6379800 -0.5287821 -0.5287821 -0.1912821 -0.1912821 0.3241172 0.3241172 0.4362555 0.4362555 0.4703087 0.4703087 0.6301724 0.6301724 0.6405189 0.6405189 0.6509635 0.6509635 0.7228636 0.7228636 0.7418867 0.7418867 0.7507882 0.7507882 0.7612636 0.7612636 0.9875288 0.9875288 1.0725006 1.0725006 1.0882413 1.0882413 1.1830598 1.1830598 1.3883509 1.3883509 1.4503790 1.4503790 1.6491458 1.6491458 1.8732144 1.8732144 1.9881009 1.9881009 2.1122308 2.1122308 2.3277251 2.3277251 2.4504888 2.4504888 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.020 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.61111 -0.61111 39 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9161178 -2.9161178 -1.4055403 -1.4055403 -0.6249636 -0.6249636 -0.5264121 -0.5264121 -0.2079045 -0.2079045 0.3423314 0.3423314 0.4414021 0.4414021 0.4807647 0.4807647 0.6267050 0.6267050 0.6457961 0.6457961 0.6581323 0.6581323 0.7223364 0.7223364 0.7460697 0.7460697 0.7543320 0.7543320 0.7662092 0.7662092 0.9634761 0.9634761 1.0269938 1.0269938 1.0652475 1.0652475 1.1301555 1.1301555 1.3198180 1.3198180 1.3980109 1.3980109 1.7311512 1.7311512 1.9028158 1.9028158 2.0490735 2.0490735 2.1377730 2.1377730 2.3682086 2.3682086 2.4878889 2.4878889 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.050 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.66667 -0.66667 40 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9169119 -2.9169119 -1.4027211 -1.4027211 -0.6083192 -0.6083192 -0.5234457 -0.5234457 -0.2294522 -0.2294522 0.3658643 0.3658643 0.4494352 0.4494352 0.4902206 0.4902206 0.6233238 0.6233238 0.6531449 0.6531449 0.6678271 0.6678271 0.7222255 0.7222255 0.7520899 0.7520899 0.7605038 0.7605038 0.7737124 0.7737124 0.9425124 0.9425124 0.9823173 0.9823173 1.0211912 1.0211912 1.0830116 1.0830116 1.2547507 1.2547507 1.3389116 1.3389116 1.8017975 1.8017975 1.8711687 1.8711687 2.1190645 2.1190645 2.2514913 2.2514913 2.4293952 2.4293952 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.080 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.94444 0.72222 -0.72222 41 MATRIX SIZE= 114 WEIGHT=24.00 EIGENVALUES ARE: -2.9177186 -2.9177186 -1.3999943 -1.3999943 -0.5892086 -0.5892086 -0.5201250 -0.5201250 -0.2542569 -0.2542569 0.3928350 0.3928350 0.4595236 0.4595236 0.4968273 0.4968273 0.6209460 0.6209460 0.6626651 0.6626651 0.6792256 0.6792256 0.7226426 0.7226426 0.7604099 0.7604099 0.7693295 0.7693295 0.7833748 0.7833748 0.9252440 0.9252440 0.9437230 0.9437230 0.9697635 0.9697635 1.0373485 1.0373485 1.1969787 1.1969787 1.2769735 1.2769735 1.7412720 1.7412720 1.9642472 1.9642472 2.2047499 2.2047499 2.3686807 2.3686807 2.4962851 2.4962851 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.100 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.77778 -0.77778 42 MATRIX SIZE= 112 WEIGHT=12.00 EIGENVALUES ARE: -2.9184411 -2.9184411 -1.3974019 -1.3974019 -0.5694680 -0.5694680 -0.5166219 -0.5166219 -0.2798699 -0.2798699 0.4209682 0.4209682 0.4705213 0.4705213 0.4989418 0.4989418 0.6199527 0.6199527 0.6741297 0.6741297 0.6904176 0.6904176 0.7236224 0.7236224 0.7711391 0.7711391 0.7794183 0.7794183 0.7946274 0.7946274 0.9050788 0.9050788 0.9200149 0.9200149 0.9244821 0.9244821 0.9915131 0.9915131 1.1496060 1.1496060 1.2158624 1.2158624 1.6694821 1.6694821 2.0855403 2.0855403 2.2826769 2.2826769 2.4558174 2.4558174 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.130 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.33333 0.00000 0.00000 43 MATRIX SIZE= 114 WEIGHT= 6.00 EIGENVALUES ARE: -2.9182507 -2.9182507 -1.3978887 -1.3978887 -0.5668805 -0.5668805 -0.5238042 -0.5238042 -0.2817079 -0.2817079 0.4077606 0.4077606 0.5005081 0.5005081 0.5020970 0.5020970 0.6180941 0.6180941 0.6681861 0.6681861 0.7022009 0.7022009 0.7200090 0.7200090 0.7714365 0.7714365 0.7882637 0.7882637 0.8095295 0.8095295 0.8221333 0.8221333 0.9008076 0.9008076 0.9966253 0.9966253 1.0150343 1.0150343 1.1005735 1.1005735 1.2635419 1.2635419 1.6827071 1.6827071 2.1157182 2.1157182 2.2579301 2.2579301 2.2861597 2.2861597 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.150 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.38889 0.05556 -0.05556 44 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9176678 -2.9176678 -1.3998899 -1.3998899 -0.5806402 -0.5806402 -0.5273061 -0.5273061 -0.2675987 -0.2675987 0.3946288 0.3946288 0.4978438 0.4978438 0.5018004 0.5018004 0.6178805 0.6178805 0.6605871 0.6605871 0.6926489 0.6926489 0.7200709 0.7200709 0.7627612 0.7627612 0.7749002 0.7749002 0.8008094 0.8008094 0.8279861 0.8279861 0.9328419 0.9328419 1.0324739 1.0324739 1.0515572 1.0515572 1.1266086 1.1266086 1.3092187 1.3092187 1.7394050 1.7394050 2.0241761 2.0241761 2.1685333 2.1685333 2.2512041 2.2512041 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.170 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.44444 0.11111 -0.11111 45 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9169552 -2.9169552 -1.4023376 -1.4023376 -0.5969208 -0.5969208 -0.5302719 -0.5302719 -0.2516292 -0.2516292 0.3838177 0.3838177 0.4881320 0.4881320 0.4978444 0.4978444 0.6193308 0.6193308 0.6534472 0.6534472 0.6795698 0.6795698 0.7206559 0.7206559 0.7540854 0.7540854 0.7612243 0.7612243 0.7907872 0.7907872 0.8414832 0.8414832 0.9830858 0.9830858 1.0689319 1.0689319 1.0911828 1.0911828 1.1722418 1.1722418 1.3540256 1.3540256 1.8081662 1.8081662 1.9145647 1.9145647 2.0753734 2.0753734 2.2241675 2.2241675 2.4985737 2.4985737 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.200 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.50000 0.16667 -0.16667 46 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9161980 -2.9161980 -1.4048906 -1.4048906 -0.6127901 -0.6127901 -0.5332540 -0.5332540 -0.2357618 -0.2357618 0.3744001 0.3744001 0.4753056 0.4753056 0.4909903 0.4909903 0.6226469 0.6226469 0.6474312 0.6474312 0.6669480 0.6669480 0.7213419 0.7213419 0.7463457 0.7463457 0.7534257 0.7534257 0.7796719 0.7796719 0.8606869 0.8606869 1.0408160 1.0408160 1.1032688 1.1032688 1.1326146 1.1326146 1.2311157 1.2311157 1.3959724 1.3959724 1.7783890 1.7783890 1.9104862 1.9104862 1.9865919 1.9865919 2.1939417 2.1939417 2.4371951 2.4371951 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.220 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.55556 0.22222 -0.22222 47 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9154875 -2.9154875 -1.4072188 -1.4072188 -0.6264782 -0.6264782 -0.5361975 -0.5361975 -0.2212753 -0.2212753 0.3647240 0.3647240 0.4640299 0.4640299 0.4824540 0.4824540 0.6270133 0.6270133 0.6428414 0.6428414 0.6566954 0.6566954 0.7221914 0.7221914 0.7411592 0.7411592 0.7490889 0.7490889 0.7703576 0.7703576 0.8855834 0.8855834 1.0853436 1.0853436 1.1422730 1.1422730 1.1724594 1.1724594 1.2990649 1.2990649 1.4350499 1.4350499 1.6783318 1.6783318 1.8895157 1.8895157 1.9892475 1.9892475 2.1716184 2.1716184 2.3635621 2.3635621 2.4602062 2.4602062 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.240 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.61111 0.27778 -0.27778 48 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9149102 -2.9149102 -1.4092363 -1.4092363 -0.6369648 -0.6369648 -0.5387831 -0.5387831 -0.2090167 -0.2090167 0.3539471 0.3539471 0.4566081 0.4566081 0.4745073 0.4745073 0.6310137 0.6310137 0.6396699 0.6396699 0.6495120 0.6495120 0.7230810 0.7230810 0.7384361 0.7384361 0.7468438 0.7468438 0.7637990 0.7637990 0.9166779 0.9166779 1.0972203 1.0972203 1.1789686 1.1789686 1.2187307 1.2187307 1.3705961 1.3705961 1.4724218 1.4724218 1.5911931 1.5911931 1.8229319 1.8229319 1.9918863 1.9918863 2.1802775 2.1802775 2.3313181 2.3313181 2.4106483 2.4106483 2.4783220 2.4783220 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.270 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.33333 -0.33333 49 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9145369 -2.9145369 -1.4105744 -1.4105744 -0.6436334 -0.6436334 -0.5406140 -0.5406140 -0.1996215 -0.1996215 0.3431698 0.3431698 0.4510121 0.4510121 0.4709565 0.4709565 0.6334726 0.6334726 0.6377504 0.6377504 0.6455969 0.6455969 0.7237541 0.7237541 0.7373348 0.7373348 0.7460880 0.7460880 0.7598111 0.7598111 0.9536361 0.9536361 1.0860950 1.0860950 1.1867009 1.1867009 1.2692742 1.2692742 1.4348052 1.4348052 1.5015272 1.5015272 1.5336317 1.5336317 1.7847105 1.7847105 1.9360953 1.9360953 2.1939990 2.1939990 2.3581771 2.3581771 2.3796119 2.3796119 2.4493588 2.4493588 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.290 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.72222 0.38889 -0.38889 50 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.9144139 -2.9144139 -1.4109575 -1.4109575 -0.6461741 -0.6461741 -0.5413370 -0.5413370 -0.1937415 -0.1937415 0.3346426 0.3346426 0.4449941 0.4449941 0.4737819 0.4737819 0.6342640 0.6342640 0.6368421 0.6368421 0.6446440 0.6446440 0.7240680 0.7240680 0.7372695 0.7372695 0.7462349 0.7462349 0.7578168 0.7578168 0.9932676 0.9932676 1.0625930 1.0625930 1.1704247 1.1704247 1.2863056 1.2863056 1.4718982 1.4718982 1.4997978 1.4997978 1.5393091 1.5393091 1.7859878 1.7859878 1.8880802 1.8880802 2.1965817 2.1965817 2.3651354 2.3651354 2.3853647 2.3853647 2.4379452 2.4379452 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.310 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.44444 -0.44444 51 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.9145566 -2.9145566 -1.4104449 -1.4104449 -0.6445378 -0.6445378 -0.5407611 -0.5407611 -0.1920805 -0.1920805 0.3303984 0.3303984 0.4400422 0.4400422 0.4805014 0.4805014 0.6341507 0.6341507 0.6365750 0.6365750 0.6460920 0.6460920 0.7239938 0.7239938 0.7380972 0.7380972 0.7469790 0.7469790 0.7574637 0.7574637 1.0177812 1.0177812 1.0469791 1.0469791 1.1365802 1.1365802 1.2548881 1.2548881 1.4782906 1.4782906 1.5088164 1.5088164 1.5444815 1.5444815 1.8136318 1.8136318 1.9078309 1.9078309 2.1933262 2.1933262 2.3582398 2.3582398 2.3826136 2.3826136 2.4386284 2.4386284 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.340 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.83333 0.50000 -0.50000 52 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9149472 -2.9149472 -1.4093070 -1.4093070 -0.6389222 -0.6389222 -0.5387870 -0.5387870 -0.1953380 -0.1953380 0.3317402 0.3317402 0.4376788 0.4376788 0.4883673 0.4883673 0.6323728 0.6323728 0.6379241 0.6379241 0.6498596 0.6498596 0.7235680 0.7235680 0.7398768 0.7398768 0.7485830 0.7485830 0.7589438 0.7589438 0.9974867 0.9974867 1.0650365 1.0650365 1.0932705 1.0932705 1.2041692 1.2041692 1.4381803 1.4381803 1.4844364 1.4844364 1.5876800 1.5876800 1.8606589 1.8606589 1.9861815 1.9861815 2.1759092 2.1759092 2.3317566 2.3317566 2.3963116 2.3963116 2.4633433 2.4633433 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.360 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.55556 -0.55556 53 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9155376 -2.9155376 -1.4072855 -1.4072855 -0.6296978 -0.6296978 -0.5354521 -0.5354521 -0.2038296 -0.2038296 0.3391909 0.3391909 0.4385493 0.4385493 0.4953740 0.4953740 0.6291247 0.6291247 0.6412552 0.6412552 0.6557848 0.6557848 0.7229688 0.7229688 0.7427718 0.7427718 0.7516953 0.7516953 0.7625396 0.7625396 0.9747170 0.9747170 1.0471952 1.0471952 1.0642104 1.0642104 1.1590720 1.1590720 1.3702561 1.3702561 1.4426215 1.4426215 1.6580966 1.6580966 1.9019977 1.9019977 2.0633400 2.0633400 2.1661450 2.1661450 2.3442653 2.3442653 2.4169036 2.4169036 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.380 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.61111 -0.61111 54 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9162553 -2.9162553 -1.4049563 -1.4049563 -0.6175963 -0.6175963 -0.5309781 -0.5309781 -0.2173436 -0.2173436 0.3525348 0.3525348 0.4427487 0.4427487 0.4999098 0.4999098 0.6255373 0.6255373 0.6464782 0.6464782 0.6633522 0.6633522 0.7224867 0.7224867 0.7470522 0.7470522 0.7566804 0.7566804 0.7681126 0.7681126 0.9570226 0.9570226 1.0043151 1.0043151 1.0339544 1.0339544 1.1249903 1.1249903 1.3005155 1.3005155 1.3921184 1.3921184 1.7458931 1.7458931 1.8811328 1.8811328 2.1045844 2.1045844 2.2417517 2.2417517 2.3939408 2.3939408 2.4413766 2.4413766 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.410 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.66667 -0.66667 55 MATRIX SIZE= 112 WEIGHT=12.00 EIGENVALUES ARE: -2.9170127 -2.9170127 -1.4023970 -1.4023970 -0.6036381 -0.6036381 -0.5256670 -0.5256670 -0.2348143 -0.2348143 0.3709178 0.3709178 0.4499683 0.4499683 0.5006672 0.5006672 0.6226293 0.6226293 0.6536447 0.6536447 0.6716598 0.6716598 0.7223413 0.7223413 0.7529667 0.7529667 0.7630522 0.7630522 0.7751523 0.7751523 0.9428004 0.9428004 0.9683264 0.9683264 0.9961810 0.9961810 1.0860055 1.0860055 1.2412901 1.2412901 1.3357226 1.3357226 1.8089430 1.8089430 1.8539737 1.8539737 2.1559575 2.1559575 2.3272730 2.3272730 2.4628164 2.4628164 2.4721180 2.4721180 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.440 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.44444 0.00000 0.00000 56 MATRIX SIZE= 114 WEIGHT= 6.00 EIGENVALUES ARE: -2.9171861 -2.9171861 -1.4015384 -1.4015384 -0.5869805 -0.5869805 -0.5325700 -0.5325700 -0.2644835 -0.2644835 0.3914656 0.3914656 0.5037716 0.5037716 0.5072635 0.5072635 0.6166370 0.6166370 0.6555167 0.6555167 0.6894779 0.6894779 0.7189567 0.7189567 0.7567102 0.7567102 0.7761413 0.7761413 0.7915233 0.7915233 0.8215109 0.8215109 0.9435347 0.9435347 1.0692275 1.0692275 1.0863309 1.0863309 1.1326359 1.1326359 1.3443737 1.3443737 1.7855249 1.7855249 1.9771679 1.9771679 2.1392416 2.1392416 2.1455421 2.1455421 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.460 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.05556 -0.05556 57 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9165692 -2.9165692 -1.4035658 -1.4035658 -0.5973085 -0.5973085 -0.5366722 -0.5366722 -0.2590031 -0.2590031 0.3916898 0.3916898 0.5022723 0.5022723 0.5078404 0.5078404 0.6169657 0.6169657 0.6504559 0.6504559 0.6803603 0.6803603 0.7191158 0.7191158 0.7504779 0.7504779 0.7636385 0.7636385 0.7897231 0.7897231 0.8235004 0.8235004 0.9767219 0.9767219 1.1067003 1.1067003 1.1226517 1.1226517 1.1622338 1.1622338 1.3772046 1.3772046 1.8464383 1.8464383 1.8899910 1.8899910 2.0548087 2.0548087 2.1222624 2.1222624 2.4991649 2.4991649 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.480 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.55556 0.11111 -0.11111 58 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9158904 -2.9158904 -1.4057831 -1.4057831 -0.6090560 -0.6090560 -0.5404816 -0.5404816 -0.2517908 -0.2517908 0.3938008 0.3938008 0.4938390 0.4938390 0.5050975 0.5050975 0.6197095 0.6197095 0.6459756 0.6459756 0.6693500 0.6693500 0.7198328 0.7198328 0.7447389 0.7447389 0.7530904 0.7530904 0.7847729 0.7847729 0.8313290 0.8313290 1.0259800 1.0259800 1.1406788 1.1406788 1.1627864 1.1627864 1.2063821 1.2063821 1.4074315 1.4074315 1.7740131 1.7740131 1.9236291 1.9236291 1.9806987 1.9806987 2.1142948 2.1142948 2.4523646 2.4523646 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.510 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.61111 0.16667 -0.16667 59 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9152312 -2.9152312 -1.4079453 -1.4079453 -0.6201535 -0.6201535 -0.5444256 -0.5444256 -0.2433182 -0.2433182 0.3945142 0.3945142 0.4828689 0.4828689 0.5003110 0.5003110 0.6244478 0.6244478 0.6425103 0.6425103 0.6593068 0.6593068 0.7208658 0.7208658 0.7400748 0.7400748 0.7471926 0.7471926 0.7765263 0.7765263 0.8465050 0.8465050 1.0786696 1.0786696 1.1683161 1.1683161 1.1996870 1.1996870 1.2630920 1.2630920 1.4382567 1.4382567 1.6683980 1.6683980 1.8985178 1.8985178 1.9907208 1.9907208 2.1363665 2.1363665 2.3881640 2.3881640 2.4803390 2.4803390 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.530 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.22222 -0.22222 60 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9146715 -2.9146715 -1.4097182 -1.4097182 -0.6293213 -0.6293213 -0.5482420 -0.5482420 -0.2340564 -0.2340564 0.3900886 0.3900886 0.4737175 0.4737175 0.4957338 0.4957338 0.6295102 0.6295102 0.6402676 0.6402676 0.6515322 0.6515322 0.7220809 0.7220809 0.7374038 0.7374038 0.7442115 0.7442115 0.7687514 0.7687514 0.8693464 0.8693464 1.1101913 1.1101913 1.1965426 1.1965426 1.2286913 1.2286913 1.3288548 1.3288548 1.4744854 1.4744854 1.5746911 1.5746911 1.8412903 1.8412903 2.0002906 2.0002906 2.1950263 2.1950263 2.3317040 2.3317040 2.4317894 2.4317894 2.4636918 2.4636918 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.550 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.72222 0.27778 -0.27778 61 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9142800 -2.9142800 -1.4110969 -1.4110969 -0.6358896 -0.6358896 -0.5513071 -0.5513071 -0.2246353 -0.2246353 0.3798799 0.3798799 0.4660324 0.4660324 0.4948346 0.4948346 0.6329527 0.6329527 0.6391483 0.6391483 0.6466770 0.6466770 0.7231740 0.7231740 0.7366012 0.7366012 0.7430410 0.7430410 0.7629724 0.7629724 0.9007326 0.9007326 1.1046396 1.1046396 1.2107776 1.2107776 1.2648053 1.2648053 1.3939721 1.3939721 1.4961443 1.4961443 1.5212194 1.5212194 1.8095262 1.8095262 1.9693525 1.9693525 2.2249851 2.2249851 2.3278023 2.3278023 2.3936575 2.3936575 2.4213984 2.4213984 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.580 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.33333 -0.33333 62 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.9141050 -2.9141050 -1.4116986 -1.4116986 -0.6395029 -0.6395029 -0.5529332 -0.5529332 -0.2158562 -0.2158562 0.3670676 0.3670676 0.4577871 0.4577871 0.4983958 0.4983958 0.6341086 0.6341086 0.6386276 0.6386276 0.6449906 0.6449906 0.7239342 0.7239342 0.7367768 0.7367768 0.7431574 0.7431574 0.7592746 0.7592746 0.9403411 0.9403411 1.0784878 1.0784878 1.1957716 1.1957716 1.2878828 1.2878828 1.4429020 1.4429020 1.4641322 1.4641322 1.5608528 1.5608528 1.8089415 1.8089415 1.9217662 1.9217662 2.2258020 2.2258020 2.3256528 2.3256528 2.3700620 2.3700620 2.4347074 2.4347074 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.600 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.38889 -0.38889 63 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9141685 -2.9141685 -1.4116032 -1.4116032 -0.6401096 -0.6401096 -0.5526038 -0.5526038 -0.2087573 -0.2087573 0.3551615 0.3551615 0.4497480 0.4497480 0.5035553 0.5035553 0.6340776 0.6340776 0.6382105 0.6382105 0.6456713 0.6456713 0.7243216 0.7243216 0.7374364 0.7374364 0.7440810 0.7440810 0.7574045 0.7574045 0.9845947 0.9845947 1.0468771 1.0468771 1.1624538 1.1624538 1.2613152 1.2613152 1.4709055 1.4709055 1.4843365 1.4843365 1.5769944 1.5769944 1.8185601 1.8185601 1.9205950 1.9205950 2.2275220 2.2275220 2.3172862 2.3172862 2.3658652 2.3658652 2.4336025 2.4336025 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.630 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.88889 0.44444 -0.44444 64 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9144627 -2.9144627 -1.4107035 -1.4107035 -0.6378323 -0.6378323 -0.5500252 -0.5500252 -0.2045030 -0.2045030 0.3465423 0.3465423 0.4433955 0.4433955 0.5075351 0.5075351 0.6338190 0.6338190 0.6374117 0.6374117 0.6483761 0.6483761 0.7242762 0.7242762 0.7386029 0.7386029 0.7457174 0.7457174 0.7574326 0.7574326 1.0130138 1.0130138 1.0307256 1.0307256 1.1201883 1.1201883 1.2128459 1.2128459 1.4752845 1.4752845 1.5248111 1.5248111 1.5450733 1.5450733 1.8439086 1.8439086 1.9833357 1.9833357 2.2301344 2.2301344 2.3141578 2.3141578 2.3623715 2.3623715 2.4194068 2.4194068 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.650 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.94444 0.50000 -0.50000 65 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9149514 -2.9149514 -1.4091063 -1.4091063 -0.6329834 -0.6329834 -0.5452325 -0.5452325 -0.2041978 -0.2041978 0.3427196 0.3427196 0.4397683 0.4397683 0.5086757 0.5086757 0.6319040 0.6319040 0.6382485 0.6382485 0.6527334 0.6527334 0.7237861 0.7237861 0.7404449 0.7404449 0.7484067 0.7484067 0.7594893 0.7594893 0.9917119 0.9917119 1.0534481 1.0534481 1.0767099 1.0767099 1.1713718 1.1713718 1.4370190 1.4370190 1.4850367 1.4850367 1.5900360 1.5900360 1.8861454 1.8861454 2.0574960 2.0574960 2.2242937 2.2242937 2.3182001 2.3182001 2.3439614 2.3439614 2.4578576 2.4578576 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.670 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.55556 -0.55556 66 MATRIX SIZE= 106 WEIGHT=12.00 EIGENVALUES ARE: -2.9155743 -2.9155743 -1.4070724 -1.4070724 -0.6260384 -0.6260384 -0.5386150 -0.5386150 -0.2085262 -0.2085262 0.3446200 0.3446200 0.4394761 0.4394761 0.5062001 0.5062001 0.6286359 0.6286359 0.6414543 0.6414543 0.6580014 0.6580014 0.7230802 0.7230802 0.7431949 0.7431949 0.7522690 0.7522690 0.7632372 0.7632372 0.9732597 0.9732597 1.0358978 1.0358978 1.0512693 1.0512693 1.1481368 1.1481368 1.3666709 1.3666709 1.4404094 1.4404094 1.6618062 1.6618062 1.9057879 1.9057879 2.0954091 2.0954091 2.2216158 2.2216158 2.3597333 2.3597333 2.3640180 2.3640180 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.700 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.55556 0.00000 0.00000 67 MATRIX SIZE= 110 WEIGHT= 6.00 EIGENVALUES ARE: -2.9160544 -2.9160544 -1.4052175 -1.4052175 -0.6016141 -0.6016141 -0.5416814 -0.5416814 -0.2644030 -0.2644030 0.4024525 0.4024525 0.5101111 0.5101111 0.5137867 0.5137867 0.6154606 0.6154606 0.6472644 0.6472644 0.6754425 0.6754425 0.7182011 0.7182011 0.7461558 0.7461558 0.7606256 0.7606256 0.7846129 0.7846129 0.8220799 0.8220799 0.9897977 0.9897977 1.1441547 1.1441547 1.1452360 1.1452360 1.1852030 1.1852030 1.3964697 1.3964697 1.8346417 1.8346417 1.9044924 1.9044924 2.0124767 2.0124767 2.0521076 2.0521076 2.4813149 2.4813149 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.720 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.61111 0.05556 -0.05556 68 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9154719 -2.9154719 -1.4068426 -1.4068426 -0.6083887 -0.6083887 -0.5460067 -0.5460067 -0.2667558 -0.2667558 0.4143420 0.4143420 0.5101448 0.5101448 0.5157269 0.5157269 0.6164710 0.6164710 0.6442782 0.6442782 0.6672238 0.6672238 0.7180505 0.7180505 0.7421702 0.7421702 0.7526010 0.7526010 0.7838159 0.7838159 0.8228338 0.8228338 1.0230682 1.0230682 1.1721829 1.1721829 1.1809763 1.1809763 1.2203737 1.2203737 1.4132893 1.4132893 1.7478357 1.7478357 1.9484302 1.9484302 1.9754315 1.9754315 2.0351783 2.0351783 2.4391132 2.4391132 2.4977236 2.4977236 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.740 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.11111 -0.11111 69 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9148913 -2.9148913 -1.4087104 -1.4087104 -0.6157679 -0.6157679 -0.5507022 -0.5507022 -0.2653257 -0.2653257 0.4235348 0.4235348 0.5030505 0.5030505 0.5162559 0.5162559 0.6206771 0.6206771 0.6419113 0.6419113 0.6587943 0.6587943 0.7184161 0.7184161 0.7388702 0.7388702 0.7462204 0.7462204 0.7806171 0.7806171 0.8267592 0.8267592 1.0699898 1.0699898 1.2019868 1.2019868 1.2164873 1.2164873 1.2538332 1.2538332 1.4350804 1.4350804 1.6502179 1.6502179 1.9009524 1.9009524 1.9844156 1.9844156 2.0966211 2.0966211 2.3847150 2.3847150 2.4414566 2.4414566 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.770 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.72222 0.16667 -0.16667 70 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9143827 -2.9143827 -1.4103934 -1.4103934 -0.6223636 -0.6223636 -0.5558826 -0.5558826 -0.2599836 -0.2599836 0.4249523 0.4249523 0.4934764 0.4934764 0.5172445 0.5172445 0.6267160 0.6267160 0.6404996 0.6404996 0.6518192 0.6518192 0.7193600 0.7193600 0.7366698 0.7366698 0.7424608 0.7424608 0.7743810 0.7743810 0.8379210 0.8379210 1.1158570 1.1158570 1.2133790 1.2133790 1.2487732 1.2487732 1.2953779 1.2953779 1.4699981 1.4699981 1.5600618 1.5600618 1.8566158 1.8566158 1.9782683 1.9782683 2.1876266 2.1876266 2.3308285 2.3308285 2.3853165 2.3853165 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.790 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.77778 0.22222 -0.22222 71 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9140081 -2.9140081 -1.4116852 -1.4116852 -0.6275741 -0.6275741 -0.5606684 -0.5606684 -0.2513239 -0.2513239 0.4163328 0.4163328 0.4836684 0.4836684 0.5205482 0.5205482 0.6317642 0.6317642 0.6400660 0.6400660 0.6471833 0.6471833 0.7209366 0.7209366 0.7359844 0.7359844 0.7405869 0.7405869 0.7678149 0.7678149 0.8585494 0.8585494 1.1299433 1.1299433 1.2263602 1.2263602 1.2619766 1.2619766 1.3512515 1.3512515 1.4748160 1.4748160 1.5298509 1.5298509 1.8317159 1.8317159 1.9622080 1.9622080 2.2449059 2.2449059 2.3086766 2.3086766 2.3373517 2.3373517 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.810 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.83333 0.27778 -0.27778 72 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9138139 -2.9138139 -1.4124160 -1.4124160 -0.6313181 -0.6313181 -0.5637319 -0.5637319 -0.2404464 -0.2404464 0.4010169 0.4010169 0.4732749 0.4732749 0.5248360 0.5248360 0.6339419 0.6339419 0.6398262 0.6398262 0.6455694 0.6455694 0.7226915 0.7226915 0.7364396 0.7364396 0.7401228 0.7401228 0.7625595 0.7625595 0.8901701 0.8901701 1.1066006 1.1066006 1.2230845 1.2230845 1.2771014 1.2771014 1.4051135 1.4051135 1.4302180 1.4302180 1.5853224 1.5853224 1.8265848 1.8265848 1.9336732 1.9336732 2.2442948 2.2442948 2.2896123 2.2896123 2.3292039 2.3292039 2.4946217 2.4946217 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.830 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.33333 -0.33333 73 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9138244 -2.9138244 -1.4124740 -1.4124740 -0.6337315 -0.6337315 -0.5638980 -0.5638980 -0.2287439 -0.2287439 0.3834232 0.3834232 0.4625559 0.4625559 0.5271111 0.5271111 0.6339733 0.6339733 0.6398576 0.6398576 0.6456502 0.6456502 0.7240212 0.7240212 0.7371340 0.7371340 0.7409591 0.7409591 0.7589970 0.7589970 0.9319974 0.9319974 1.0727656 1.0727656 1.1930454 1.1930454 1.2649287 1.2649287 1.4318869 1.4318869 1.4519946 1.4519946 1.6314635 1.6314635 1.8134322 1.8134322 1.9325927 1.9325927 2.2451184 2.2451184 2.2711873 2.2711873 2.3180521 2.3180521 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.850 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.38889 -0.38889 74 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9140387 -2.9140387 -1.4118826 -1.4118826 -0.6348920 -0.6348920 -0.5606024 -0.5606024 -0.2177729 -0.2177729 0.3664951 0.3664951 0.4526243 0.4526243 0.5253712 0.5253712 0.6336778 0.6336778 0.6392673 0.6392673 0.6468850 0.6468850 0.7246298 0.7246298 0.7378773 0.7378773 0.7427337 0.7427337 0.7572822 0.7572822 0.9791266 0.9791266 1.0412405 1.0412405 1.1532961 1.1532961 1.2265900 1.2265900 1.4712541 1.4712541 1.4793761 1.4793761 1.6198255 1.6198255 1.8145672 1.8145672 1.9764401 1.9764401 2.2489033 2.2489033 2.2723695 2.2723695 2.3178879 2.3178879 2.4852240 2.4852240 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.880 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.44444 -0.44444 75 MATRIX SIZE= 106 WEIGHT=12.00 EIGENVALUES ARE: -2.9144304 -2.9144304 -1.4107034 -1.4107034 -0.6346951 -0.6346951 -0.5540764 -0.5540764 -0.2091225 -0.2091225 0.3523194 0.3523194 0.4446949 0.4446949 0.5190537 0.5190537 0.6335811 0.6335811 0.6377424 0.6377424 0.6495226 0.6495226 0.7244722 0.7244722 0.7389040 0.7389040 0.7452455 0.7452455 0.7575516 0.7575516 1.0107377 1.0107377 1.0271910 1.0271910 1.1127935 1.1127935 1.1914352 1.1914352 1.4737705 1.4737705 1.5290002 1.5290002 1.5523028 1.5523028 1.8518653 1.8518653 2.0263099 2.0263099 2.2746217 2.2746217 2.2774465 2.2774465 2.3107118 2.3107118 2.4504394 2.4504394 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.900 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.66667 0.00000 0.00000 76 MATRIX SIZE= 108 WEIGHT= 6.00 EIGENVALUES ARE: -2.9149922 -2.9149922 -1.4082967 -1.4082967 -0.6106735 -0.6106735 -0.5500509 -0.5500509 -0.2783385 -0.2783385 0.4336008 0.4336008 0.5206467 0.5206467 0.5225311 0.5225311 0.6146567 0.6146567 0.6425737 0.6425737 0.6613850 0.6613850 0.7168205 0.7168205 0.7395891 0.7395891 0.7494354 0.7494354 0.7826992 0.7826992 0.8233632 0.8233632 1.0374620 1.0374620 1.1801447 1.1801447 1.2173913 1.2173913 1.2556117 1.2556117 1.4144432 1.4144432 1.6921194 1.6921194 1.9222584 1.9222584 1.9859045 1.9859045 2.0342424 2.0342424 2.4043714 2.4043714 2.4542064 2.4542064 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.920 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.72222 0.05556 -0.05556 77 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9145082 -2.9145082 -1.4098046 -1.4098046 -0.6143554 -0.6143554 -0.5542831 -0.5542831 -0.2844254 -0.2844254 0.4477902 0.4477902 0.5196061 0.5196061 0.5310683 0.5310683 0.6164583 0.6164583 0.6412070 0.6412070 0.6546806 0.6546806 0.7161279 0.7161279 0.7375003 0.7375003 0.7453863 0.7453863 0.7820283 0.7820283 0.8236229 0.8236229 1.0694662 1.0694662 1.2043497 1.2043497 1.2440359 1.2440359 1.2839140 1.2839140 1.4223568 1.4223568 1.6160802 1.6160802 1.8891239 1.8891239 1.9653374 1.9653374 2.1126870 2.1126870 2.3580161 2.3580161 2.3999451 2.3999451 2.4829174 2.4829174 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.940 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.11111 -0.11111 78 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9140781 -2.9140781 -1.4111740 -1.4111740 -0.6179074 -0.6179074 -0.5598691 -0.5598691 -0.2839075 -0.2839075 0.4526001 0.4526001 0.5126119 0.5126119 0.5390805 0.5390805 0.6222473 0.6222473 0.6405243 0.6405243 0.6490190 0.6490190 0.7159281 0.7159281 0.7360791 0.7360791 0.7421397 0.7421397 0.7789716 0.7789716 0.8253321 0.8253321 1.1128929 1.1128929 1.2368798 1.2368798 1.2512132 1.2512132 1.2991986 1.2991986 1.4519537 1.4519537 1.5410004 1.5410004 1.8615930 1.8615930 1.9547862 1.9547862 2.2006492 2.2006492 2.3095240 2.3095240 2.3418409 2.3418409 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.970 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.83333 0.16667 -0.16667 79 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9137540 -2.9137540 -1.4122249 -1.4122249 -0.6207279 -0.6207279 -0.5662382 -0.5662382 -0.2770320 -0.2770320 0.4463689 0.4463689 0.5022890 0.5022890 0.5463702 0.5463702 0.6293118 0.6293118 0.6405278 0.6405278 0.6454424 0.6454424 0.7168178 0.7168178 0.7355074 0.7355074 0.7399742 0.7399742 0.7735203 0.7735203 0.8335573 0.8335573 1.1509207 1.1509207 1.2258992 1.2258992 1.2774487 1.2774487 1.3175218 1.3175218 1.4538009 1.4538009 1.5270470 1.5270470 1.8439955 1.8439955 1.9473128 1.9473128 2.2533751 2.2533751 2.2834319 2.2834319 2.3015592 2.3015592 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.990 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.22222 -0.22222 80 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9135760 -2.9135760 -1.4128923 -1.4128923 -0.6232845 -0.6232845 -0.5712761 -0.5712761 -0.2651151 -0.2651151 0.4314730 0.4314730 0.4902553 0.4902553 0.5501941 0.5501941 0.6336599 0.6336599 0.6399098 0.6399098 0.6454521 0.6454521 0.7192788 0.7192788 0.7358728 0.7358728 0.7387526 0.7387526 0.7675263 0.7675263 0.8526298 0.8526298 1.1432972 1.1432972 1.2310387 1.2310387 1.2761544 1.2761544 1.3617570 1.3617570 1.4097224 1.4097224 1.5900982 1.5900982 1.8322951 1.8322951 1.9385099 1.9385099 2.2305828 2.2305828 2.2542172 2.2542172 2.3330607 2.3330607 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.020 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.27778 -0.27778 81 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9135664 -2.9135664 -1.4130819 -1.4130819 -0.6265612 -0.6265612 -0.5724673 -0.5724673 -0.2499738 -0.2499738 0.4114157 0.4114157 0.4772881 0.4772881 0.5481392 0.5481392 0.6343645 0.6343645 0.6399437 0.6399437 0.6462961 0.6462961 0.7222322 0.7222322 0.7368281 0.7368281 0.7385954 0.7385954 0.7624372 0.7624372 0.8850144 0.8850144 1.1072712 1.1072712 1.2216459 1.2216459 1.2694190 1.2694190 1.3962613 1.3962613 1.4119845 1.4119845 1.6568468 1.6568468 1.8041111 1.8041111 1.9431766 1.9431766 2.2098059 2.2098059 2.2571478 2.2571478 2.3220645 2.3220645 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.040 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.33333 -0.33333 82 MATRIX SIZE= 104 WEIGHT=12.00 EIGENVALUES ARE: -2.9137271 -2.9137271 -1.4127233 -1.4127233 -0.6307575 -0.6307575 -0.5686486 -0.5686486 -0.2335502 -0.2335502 0.3889629 0.3889629 0.4643299 0.4643299 0.5395523 0.5395523 0.6338137 0.6338137 0.6404065 0.6404065 0.6462229 0.6462229 0.7241131 0.7241131 0.7374080 0.7374080 0.7401447 0.7401447 0.7589171 0.7589171 0.9291754 0.9291754 1.0714297 1.0714297 1.1891976 1.1891976 1.2491411 1.2491411 1.4277077 1.4277077 1.4512693 1.4512693 1.6805374 1.6805374 1.7828994 1.7828994 1.9617402 1.9617402 2.2157703 2.2157703 2.2750651 2.2750651 2.2991159 2.2991159 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.070 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.77778 0.00000 0.00000 83 MATRIX SIZE= 108 WEIGHT= 6.00 EIGENVALUES ARE: -2.9141273 -2.9141273 -1.4109411 -1.4109411 -0.6151762 -0.6151762 -0.5567402 -0.5567402 -0.2976484 -0.2976484 0.4640952 0.4640952 0.5266236 0.5266236 0.5472614 0.5472614 0.6142228 0.6142228 0.6406813 0.6406813 0.6492575 0.6492575 0.7147282 0.7147282 0.7364286 0.7364286 0.7439047 0.7439047 0.7830180 0.7830180 0.8250658 0.8250658 1.0828665 1.0828665 1.2074824 1.2074824 1.2759734 1.2759734 1.3167287 1.3167287 1.4076486 1.4076486 1.5641310 1.5641310 1.8710042 1.8710042 1.9544643 1.9544643 2.1660579 2.1660579 2.3222101 2.3222101 2.3545306 2.3545306 2.4316768 2.4316768 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.090 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.83333 0.05556 -0.05556 84 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9137937 -2.9137937 -1.4119320 -1.4119320 -0.6165192 -0.6165192 -0.5605698 -0.5605698 -0.3027153 -0.3027153 0.4705699 0.4705699 0.5255520 0.5255520 0.5611397 0.5611397 0.6168622 0.6168622 0.6406454 0.6406454 0.6446306 0.6446306 0.7138190 0.7138190 0.7357740 0.7357740 0.7421704 0.7421704 0.7823093 0.7823093 0.8249728 0.8249728 1.1110672 1.1110672 1.2275153 1.2275153 1.2838035 1.2838035 1.3275676 1.3275676 1.4225691 1.4225691 1.5080896 1.5080896 1.8569096 1.8569096 1.9506446 1.9506446 2.2349617 2.2349617 2.2812523 2.2812523 2.3038967 2.3038967 2.4275834 2.4275834 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.110 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.11111 -0.11111 85 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9135479 -2.9135479 -1.4127267 -1.4127267 -0.6173322 -0.6173322 -0.5666447 -0.5666447 -0.2989304 -0.2989304 0.4671257 0.4671257 0.5183248 0.5183248 0.5697858 0.5697858 0.6242383 0.6242383 0.6405903 0.6405903 0.6421275 0.6421275 0.7134517 0.7134517 0.7355007 0.7355007 0.7404943 0.7404943 0.7788738 0.7788738 0.8252704 0.8252704 1.1494207 1.1494207 1.2488735 1.2488735 1.2647845 1.2647845 1.3247345 1.3247345 1.4368679 1.4368679 1.4971633 1.4971633 1.8467759 1.8467759 1.9502207 1.9502207 2.2372931 2.2372931 2.2586314 2.2586314 2.3059194 2.3059194 2.4650055 2.4650055 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.140 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.16667 -0.16667 86 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9134199 -2.9134199 -1.4131909 -1.4131909 -0.6180683 -0.6180683 -0.5730624 -0.5730624 -0.2873993 -0.2873993 0.4550805 0.4550805 0.5067637 0.5067637 0.5709667 0.5709667 0.6320341 0.6320341 0.6387369 0.6387369 0.6437901 0.6437901 0.7148053 0.7148053 0.7355742 0.7355742 0.7390846 0.7390846 0.7734488 0.7734488 0.8318246 0.8318246 1.1815257 1.1815257 1.2121179 1.2121179 1.2925538 1.2925538 1.3249695 1.3249695 1.4045552 1.4045552 1.5593525 1.5593525 1.8361090 1.8361090 1.9499848 1.9499848 2.2015983 2.2015983 2.2394641 2.2394641 2.3464674 2.3464674 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.160 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.22222 -0.22222 87 MATRIX SIZE= 104 WEIGHT=12.00 EIGENVALUES ARE: -2.9134260 -2.9134260 -1.4132886 -1.4132886 -0.6207479 -0.6207479 -0.5758911 -0.5758911 -0.2702838 -0.2702838 0.4360050 0.4360050 0.4925500 0.4925500 0.5635368 0.5635368 0.6348489 0.6348489 0.6387881 0.6387881 0.6459735 0.6459735 0.7184878 0.7184878 0.7360513 0.7360513 0.7382334 0.7382334 0.7675205 0.7675205 0.8507670 0.8507670 1.1485619 1.1485619 1.2271467 1.2271467 1.2803210 1.2803210 1.3643170 1.3643170 1.3865523 1.3865523 1.6240751 1.6240751 1.8173741 1.8173741 1.9491166 1.9491166 2.1885573 2.1885573 2.2428061 2.2428061 2.3462094 2.3462094 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.180 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.00000 0.00000 88 MATRIX SIZE= 102 WEIGHT= 6.00 EIGENVALUES ARE: -2.9135632 -2.9135632 -1.4125842 -1.4125842 -0.6167098 -0.6167098 -0.5610337 -0.5610337 -0.3133830 -0.3133830 0.4792681 0.4792681 0.5306624 0.5306624 0.5783778 0.5783778 0.6140655 0.6140655 0.6410646 0.6410646 0.6411383 0.6411383 0.7128926 0.7128926 0.7357467 0.7357467 0.7418611 0.7418611 0.7841229 0.7841229 0.8267450 0.8267450 1.1185833 1.1185833 1.2256750 1.2256750 1.3126457 1.3126457 1.3557923 1.3557923 1.3943318 1.3943318 1.4691941 1.4691941 1.8526864 1.8526864 1.9555750 1.9555750 2.2559764 2.2559764 2.2677337 2.2677337 2.2822459 2.2822459 2.3864595 2.3864595 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.200 Seclr4(Transform to eigenwertproblem) : 0.010 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.05556 -0.05556 89 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.9134138 -2.9134138 -1.4130565 -1.4130565 -0.6168158 -0.6168158 -0.5640264 -0.5640264 -0.3139591 -0.3139591 0.4792157 0.4792157 0.5286006 0.5286006 0.5862671 0.5862671 0.6173644 0.6173644 0.6388669 0.6388669 0.6419259 0.6419259 0.7123076 0.7123076 0.7357776 0.7357776 0.7411227 0.7411227 0.7829972 0.7829972 0.8260949 0.8260949 1.1379918 1.1379918 1.2401493 1.2401493 1.2972821 1.2972821 1.3453750 1.3453750 1.4222803 1.4222803 1.4487046 1.4487046 1.8492622 1.8492622 1.9598881 1.9598881 2.2281060 2.2281060 2.2386773 2.2386773 2.3246683 2.3246683 2.3983766 2.3983766 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.230 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.11111 -0.11111 90 MATRIX SIZE= 102 WEIGHT=12.00 EIGENVALUES ARE: -2.9133638 -2.9133638 -1.4132615 -1.4132615 -0.6166599 -0.6166599 -0.5692522 -0.5692522 -0.3046085 -0.3046085 0.4709915 0.4709915 0.5202188 0.5202188 0.5836604 0.5836604 0.6254725 0.6254725 0.6379350 0.6379350 0.6426594 0.6426594 0.7124289 0.7124289 0.7356928 0.7356928 0.7400668 0.7400668 0.7790311 0.7790311 0.8254199 0.8254199 1.1660937 1.1660937 1.2460601 1.2460601 1.2699555 1.2699555 1.3314318 1.3314318 1.4126510 1.4126510 1.5020923 1.5020923 1.8438393 1.8438393 1.9586525 1.9586525 2.2017934 2.2017934 2.2309892 2.2309892 2.3477204 2.3477204 2.4518508 2.4518508 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.250 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.00000 0.00000 91 MATRIX SIZE= 102 WEIGHT= 3.00 EIGENVALUES ARE: -2.9133674 -2.9133674 -1.4131803 -1.4131803 -0.6169741 -0.6169741 -0.5625196 -0.5625196 -0.3193628 -0.3193628 0.4832495 0.4832495 0.5320844 0.5320844 0.5921213 0.5921213 0.6140386 0.6140386 0.6381720 0.6381720 0.6422388 0.6422388 0.7121851 0.7121851 0.7359263 0.7359263 0.7413847 0.7413847 0.7846843 0.7846843 0.8275172 0.8275172 1.1328113 1.1328113 1.2321184 1.2321184 1.3258362 1.3258362 1.3687628 1.3687628 1.3886110 1.3886110 1.4312111 1.4312111 1.8506005 1.8506005 1.9642742 1.9642742 2.2294341 2.2294341 2.2307535 2.2307535 2.3339252 2.3339252 2.3708241 2.3708241 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.280 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.22222 0.11111 0.00000 92 MATRIX SIZE= 114 WEIGHT=24.00 EIGENVALUES ARE: -2.9189445 -2.9189445 -1.3955443 -1.3955443 -0.5516368 -0.5516368 -0.5153717 -0.5153717 -0.3017967 -0.3017967 0.4396670 0.4396670 0.4876161 0.4876161 0.4988430 0.4988430 0.6196779 0.6196779 0.6831254 0.6831254 0.7028260 0.7028260 0.7242722 0.7242722 0.7832869 0.7832869 0.7892638 0.7892638 0.8098461 0.8098461 0.8623024 0.8623024 0.8831811 0.8831811 0.9316661 0.9316661 0.9577611 0.9577611 1.1021564 1.1021564 1.1794188 1.1794188 1.6193008 1.6193008 2.1980894 2.1980894 2.3401470 2.3401470 2.4660671 2.4660671 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.300 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.27778 0.16667 -0.05556 93 MATRIX SIZE= 112 WEIGHT=48.00 EIGENVALUES ARE: -2.9183165 -2.9183165 -1.3977593 -1.3977593 -0.5721531 -0.5721531 -0.5178530 -0.5178530 -0.2765511 -0.2765511 0.4139734 0.4139734 0.4767632 0.4767632 0.4967566 0.4967566 0.6197602 0.6197602 0.6713419 0.6713419 0.6905706 0.6905706 0.7230231 0.7230231 0.7701654 0.7701654 0.7763208 0.7763208 0.7963562 0.7963562 0.8780976 0.8780976 0.9245235 0.9245235 0.9607849 0.9607849 0.9975189 0.9975189 1.1436877 1.1436877 1.2351220 1.2351220 1.6809176 1.6809176 2.0769346 2.0769346 2.2544287 2.2544287 2.4093171 2.4093171 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.330 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.33333 0.22222 -0.11111 94 MATRIX SIZE= 112 WEIGHT=48.00 EIGENVALUES ARE: -2.9175439 -2.9175439 -1.4004719 -1.4004719 -0.5935431 -0.5935431 -0.5204357 -0.5204357 -0.2498115 -0.2498115 0.3870121 0.3870121 0.4645281 0.4645281 0.4900896 0.4900896 0.6211337 0.6211337 0.6605781 0.6605781 0.6768333 0.6768333 0.7222992 0.7222992 0.7588764 0.7588764 0.7652566 0.7652566 0.7837805 0.7837805 0.8989645 0.8989645 0.9751947 0.9751947 0.9979596 0.9979596 1.0401733 1.0401733 1.1989416 1.1989416 1.2944277 1.2944277 1.7570045 1.7570045 1.9565934 1.9565934 2.1573777 2.1573777 2.3172320 2.3172320 2.4845188 2.4845188 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.360 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.38889 0.27778 -0.16667 95 MATRIX SIZE= 110 WEIGHT=48.00 EIGENVALUES ARE: -2.9167190 -2.9167190 -1.4033743 -1.4033743 -0.6131793 -0.6131793 -0.5230127 -0.5230127 -0.2246295 -0.2246295 0.3608581 0.3608581 0.4530257 0.4530257 0.4803722 0.4803722 0.6239170 0.6239170 0.6516580 0.6516580 0.6645873 0.6645873 0.7220541 0.7220541 0.7505317 0.7505317 0.7574188 0.7574188 0.7732554 0.7732554 0.9240456 0.9240456 1.0231919 1.0231919 1.0432732 1.0432732 1.0858080 1.0858080 1.2625334 1.2625334 1.3536497 1.3536497 1.7945167 1.7945167 1.8910655 1.8910655 2.0586287 2.0586287 2.2095353 2.2095353 2.4141087 2.4141087 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.380 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.44444 0.33333 -0.22222 96 MATRIX SIZE= 110 WEIGHT=48.00 EIGENVALUES ARE: -2.9159413 -2.9159413 -1.4061409 -1.4061409 -0.6295481 -0.6295481 -0.5253637 -0.5253637 -0.2030716 -0.2030716 0.3375775 0.3375775 0.4438921 0.4438921 0.4693699 0.4693699 0.6274671 0.6274671 0.6447638 0.6447638 0.6551395 0.6551395 0.7223280 0.7223280 0.7447115 0.7447115 0.7526076 0.7526076 0.7657073 0.7657073 0.9521399 0.9521399 1.0610475 1.0610475 1.0878957 1.0878957 1.1376230 1.1376230 1.3311642 1.3311642 1.4096622 1.4096622 1.7161425 1.7161425 1.9067016 1.9067016 2.0012929 2.0012929 2.1142313 2.1142313 2.3537417 2.3537417 2.4857360 2.4857360 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.400 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.38889 -0.27778 97 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9153054 -2.9153054 -1.4082330 -1.4082330 -0.6417324 -0.6417324 -0.5272393 -0.5272393 -0.1865849 -0.1865849 0.3191708 0.3191708 0.4380453 0.4380453 0.4588986 0.4588986 0.6307670 0.6307670 0.6398055 0.6398055 0.6488072 0.6488072 0.7229602 0.7229602 0.7409075 0.7409075 0.7501181 0.7501181 0.7610639 0.7610639 0.9818005 0.9818005 1.0838090 1.0838090 1.1235531 1.1235531 1.1931311 1.1931311 1.4006902 1.4006902 1.4593182 1.4593182 1.6376649 1.6376649 1.8382832 1.8382832 1.9538718 1.9538718 2.1187826 2.1187826 2.3205566 2.3205566 2.4479405 2.4479405 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.420 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.55556 0.44444 -0.33333 98 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9148895 -2.9148895 -1.4097398 -1.4097398 -0.6492437 -0.6492437 -0.5284535 -0.5284535 -0.1762618 -0.1762618 0.3073422 0.3073422 0.4355501 0.4355501 0.4508319 0.4508319 0.6329540 0.6329540 0.6367566 0.6367566 0.6453291 0.6453291 0.7235648 0.7235648 0.7387469 0.7387469 0.7490816 0.7490816 0.7587586 0.7587586 1.0089943 1.0089943 1.0883739 1.0883739 1.1490752 1.1490752 1.2394294 1.2394294 1.4603319 1.4603319 1.4969686 1.4969686 1.5839054 1.5839054 1.7743700 1.7743700 1.8761797 1.8761797 2.1532259 2.1532259 2.3303569 2.3303569 2.4232403 2.4232403 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.450 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.61111 0.50000 -0.38889 99 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9147448 -2.9147448 -1.4102785 -1.4102785 -0.6517782 -0.6517782 -0.5288723 -0.5288723 -0.1727452 -0.1727452 0.3032600 0.3032600 0.4351855 0.4351855 0.4475483 0.4475483 0.6337047 0.6337047 0.6357090 0.6357090 0.6442510 0.6442510 0.7238051 0.7238051 0.7380448 0.7380448 0.7488131 0.7488131 0.7581070 0.7581070 1.0220529 1.0220529 1.0856844 1.0856844 1.1586797 1.1586797 1.2586361 1.2586361 1.4850267 1.4850267 1.5124215 1.5124215 1.5656953 1.5656953 1.7490321 1.7490321 1.8408446 1.8408446 2.1600146 2.1600146 2.3472277 2.3472277 2.4149506 2.4149506 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.480 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.33333 0.11111 0.00000 100 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9181011 -2.9181011 -1.3984384 -1.3984384 -0.5735432 -0.5735432 -0.5224932 -0.5224932 -0.2744095 -0.2744095 0.4042525 0.4042525 0.4892865 0.4892865 0.5009813 0.5009813 0.6187738 0.6187738 0.6665341 0.6665341 0.6947827 0.6947827 0.7214011 0.7214011 0.7689264 0.7689264 0.7765236 0.7765236 0.8010669 0.8010669 0.8452770 0.8452770 0.9203687 0.9203687 0.9953647 0.9953647 1.0196371 1.0196371 1.1243216 1.1243216 1.2693771 1.2693771 1.6990661 1.6990661 2.0670538 2.0670538 2.2228398 2.2228398 2.3365736 2.3365736 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.500 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.38889 0.16667 -0.05556 101 MATRIX SIZE= 112 WEIGHT=48.00 EIGENVALUES ARE: -2.9174059 -2.9174059 -1.4008529 -1.4008529 -0.5908425 -0.5908425 -0.5257177 -0.5257177 -0.2548461 -0.2548461 0.3870631 0.3870631 0.4782146 0.4782146 0.4995064 0.4995064 0.6197243 0.6197243 0.6579593 0.6579593 0.6824520 0.6824520 0.7214194 0.7214194 0.7587670 0.7587670 0.7652217 0.7652217 0.7897649 0.7897649 0.8594836 0.8594836 0.9643626 0.9643626 1.0277931 1.0277931 1.0618255 1.0618255 1.1684809 1.1684809 1.3201651 1.3201651 1.7680226 1.7680226 1.9520653 1.9520653 2.1424538 2.1424538 2.2890787 2.2890787 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.520 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.44444 0.22222 -0.11111 102 MATRIX SIZE= 112 WEIGHT=48.00 EIGENVALUES ARE: -2.9166321 -2.9166321 -1.4035396 -1.4035396 -0.6081392 -0.6081392 -0.5288968 -0.5288968 -0.2353981 -0.2353981 0.3712787 0.3712787 0.4658196 0.4658196 0.4936641 0.4936641 0.6223260 0.6223260 0.6505345 0.6505345 0.6698758 0.6698758 0.7216824 0.7216824 0.7499925 0.7499925 0.7569827 0.7569827 0.7791624 0.7791624 0.8783670 0.8783670 1.0188407 1.0188407 1.0613836 1.0613836 1.1047636 1.1047636 1.2262732 1.2262732 1.3697343 1.3697343 1.8081835 1.8081835 1.8770093 1.8770093 2.0537291 2.0537291 2.2358122 2.2358122 2.4508030 2.4508030 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.540 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.27778 -0.16667 103 MATRIX SIZE= 108 WEIGHT=48.00 EIGENVALUES ARE: -2.9158727 -2.9158727 -1.4060767 -1.4060767 -0.6234474 -0.6234474 -0.5319247 -0.5319247 -0.2179660 -0.2179660 0.3566974 0.3566974 0.4552158 0.4552158 0.4850683 0.4850683 0.6261408 0.6261408 0.6446851 0.6446851 0.6592268 0.6592268 0.7222106 0.7222106 0.7438404 0.7438404 0.7517316 0.7517316 0.7701565 0.7701565 0.9024994 0.9024994 1.0678957 1.0678957 1.0984137 1.0984137 1.1467959 1.1467959 1.2934200 1.2934200 1.4161097 1.4161097 1.7182297 1.7182297 1.9100773 1.9100773 1.9948217 1.9948217 2.1799437 2.1799437 2.3760626 2.3760626 2.4716895 2.4716895 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.570 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.55556 0.33333 -0.22222 104 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9152199 -2.9152199 -1.4082867 -1.4082867 -0.6355728 -0.6355728 -0.5345525 -0.5345525 -0.2037704 -0.2037704 0.3435316 0.3435316 0.4484078 0.4484078 0.4756051 0.4756051 0.6300512 0.6300512 0.6404634 0.6404634 0.6513796 0.6513796 0.7229415 0.7229415 0.7401373 0.7401373 0.7487233 0.7487233 0.7636900 0.7636900 0.9320826 0.9320826 1.0868429 1.0868429 1.1423242 1.1423242 1.1929994 1.1929994 1.3649980 1.3649980 1.4582518 1.4582518 1.6300770 1.6300770 1.8526785 1.8526785 1.9970460 1.9970460 2.1567418 2.1567418 2.3324616 2.3324616 2.4267935 2.4267935 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.600 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.61111 0.38889 -0.27778 105 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9147537 -2.9147537 -1.4099266 -1.4099266 -0.6437931 -0.6437931 -0.5364723 -0.5364723 -0.1935944 -0.1935944 0.3328234 0.3328234 0.4452126 0.4452126 0.4676815 0.4676815 0.6328853 0.6328853 0.6377650 0.6377650 0.6465729 0.6465729 0.7236183 0.7236183 0.7381872 0.7381872 0.7473880 0.7473880 0.7597885 0.7597885 0.9664536 0.9664536 1.0814746 1.0814746 1.1690350 1.1690350 1.2452769 1.2452769 1.4309698 1.4309698 1.4932185 1.4932185 1.5630620 1.5630620 1.7955263 1.7955263 1.9404995 1.9404995 2.1773607 2.1773607 2.3417496 2.3417496 2.3942099 2.3942099 2.4754434 2.4754434 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.620 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.66667 0.44444 -0.33333 106 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9145315 -2.9145315 -1.4107399 -1.4107399 -0.6476955 -0.6476955 -0.5374349 -0.5374349 -0.1879690 -0.1879690 0.3260150 0.3260150 0.4431079 0.4431079 0.4646457 0.4646457 0.6341081 0.6341081 0.6364953 0.6364953 0.6446380 0.6446380 0.7239886 0.7239886 0.7374685 0.7374685 0.7470743 0.7470743 0.7579655 0.7579655 1.0017169 1.0017169 1.0612568 1.0612568 1.1739293 1.1739293 1.2799746 1.2799746 1.4705298 1.4705298 1.5070886 1.5070886 1.5388246 1.5388246 1.7739281 1.7739281 1.8834624 1.8834624 2.1853489 2.1853489 2.3690410 2.3690410 2.3813003 2.3813003 2.4609797 2.4609797 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.640 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.72222 0.50000 -0.38889 107 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9145810 -2.9145810 -1.4105728 -1.4105728 -0.6471122 -0.6471122 -0.5372916 -0.5372916 -0.1872921 -0.1872921 0.3242998 0.3242998 0.4404318 0.4404318 0.4681696 0.4681696 0.6340912 0.6340912 0.6363852 0.6363852 0.6451541 0.6451541 0.7239554 0.7239554 0.7378016 0.7378016 0.7473395 0.7473395 0.7577579 0.7577579 1.0133016 1.0133016 1.0537467 1.0537467 1.1585368 1.1585368 1.2693075 1.2693075 1.4740094 1.4740094 1.5069937 1.5069937 1.5448783 1.5448783 1.7874060 1.7874060 1.8867222 1.8867222 2.1838837 2.1838837 2.3629011 2.3629011 2.3843282 2.3843282 2.4613013 2.4613013 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.660 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.55556 -0.44444 108 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9148960 -2.9148960 -1.4094121 -1.4094121 -0.6420967 -0.6420967 -0.5359999 -0.5359999 -0.1918319 -0.1918319 0.3282691 0.3282691 0.4390790 0.4390790 0.4758048 0.4758048 0.6325634 0.6325634 0.6377935 0.6377935 0.6480857 0.6480857 0.7235418 0.7235418 0.7392089 0.7392089 0.7482733 0.7482733 0.7592314 0.7592314 0.9863106 0.9863106 1.0721797 1.0721797 1.1276067 1.1276067 1.2245198 1.2245198 1.4348511 1.4348511 1.4878716 1.4878716 1.5819694 1.5819694 1.8300206 1.8300206 1.9521613 1.9521613 2.1689846 2.1689846 2.3332703 2.3332703 2.4032700 2.4032700 2.4781408 2.4781408 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.690 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.83333 0.61111 -0.50000 109 MATRIX SIZE= 108 WEIGHT=48.00 EIGENVALUES ARE: -2.9154376 -2.9154376 -1.4077320 -1.4077320 -0.6329731 -0.6329731 -0.5336370 -0.5336370 -0.2016631 -0.2016631 0.3378314 0.3378314 0.4407661 0.4407661 0.4847772 0.4847772 0.6295077 0.6295077 0.6409750 0.6409750 0.6535829 0.6535829 0.7229105 0.7229105 0.7418555 0.7418555 0.7504704 0.7504704 0.7628119 0.7628119 0.9570859 0.9570859 1.0718796 1.0718796 1.0893656 1.0893656 1.1738151 1.1738151 1.3688433 1.3688433 1.4486768 1.4486768 1.6505030 1.6505030 1.8878835 1.8878835 2.0221259 2.0221259 2.1467391 2.1467391 2.3376173 2.3376173 2.4333146 2.4333146 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.710 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.88889 0.66667 -0.55556 110 MATRIX SIZE= 108 WEIGHT=48.00 EIGENVALUES ARE: -2.9161390 -2.9161390 -1.4052725 -1.4052725 -0.6202385 -0.6202385 -0.5303637 -0.5303637 -0.2163513 -0.2163513 0.3523200 0.3523200 0.4460353 0.4460353 0.4930079 0.4930079 0.6257908 0.6257908 0.6459509 0.6459509 0.6615026 0.6615026 0.7223636 0.7223636 0.7460862 0.7460862 0.7546170 0.7546170 0.7686996 0.7686996 0.9318343 0.9318343 1.0388243 1.0388243 1.0532650 1.0532650 1.1312604 1.1312604 1.2985761 1.2985761 1.4002895 1.4002895 1.7377495 1.7377495 1.8948011 1.8948011 2.0599795 2.0599795 2.1997028 2.1997028 2.3847967 2.3847967 2.4693135 2.4693135 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.740 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.94444 0.72222 -0.61111 111 MATRIX SIZE= 112 WEIGHT=48.00 EIGENVALUES ARE: -2.9169147 -2.9169147 -1.4026549 -1.4026549 -0.6048354 -0.6048354 -0.5264361 -0.5264361 -0.2349889 -0.2349889 0.3706917 0.3706917 0.4545903 0.4545903 0.4986846 0.4986846 0.6224986 0.6224986 0.6528026 0.6528026 0.6712832 0.6712832 0.7221384 0.7221384 0.7522854 0.7522854 0.7609681 0.7609681 0.7765473 0.7765473 0.9110047 0.9110047 0.9950101 0.9950101 1.0153577 1.0153577 1.0905397 1.0905397 1.2347719 1.2347719 1.3464744 1.3464744 1.8113548 1.8113548 1.8583652 1.8583652 2.1276555 2.1276555 2.2858554 2.2858554 2.4549377 2.4549377 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.760 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.77778 -0.66667 112 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9176707 -2.9176707 -1.4000226 -1.4000226 -0.5881409 -0.5881409 -0.5221245 -0.5221245 -0.2559010 -0.2559010 0.3917284 0.3917284 0.4653975 0.4653975 0.5002347 0.5002347 0.6204516 0.6204516 0.6614356 0.6614356 0.6817120 0.6817120 0.7223255 0.7223255 0.7606168 0.7606168 0.7688222 0.7688222 0.7857695 0.7857695 0.8932920 0.8932920 0.9546913 0.9546913 0.9832576 0.9832576 1.0448129 1.0448129 1.1819994 1.1819994 1.2902757 1.2902757 1.7447923 1.7447923 1.9632091 1.9632091 2.1964756 2.1964756 2.3611070 2.3611070 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.780 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.44444 0.11111 0.00000 113 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9170677 -2.9170677 -1.4019303 -1.4019303 -0.5920371 -0.5920371 -0.5315371 -0.5315371 -0.2579052 -0.2579052 0.3878038 0.3878038 0.4930451 0.4930451 0.5052491 0.5052491 0.6180461 0.6180461 0.6544147 0.6544147 0.6842152 0.6842152 0.7200077 0.7200077 0.7554695 0.7554695 0.7662527 0.7662527 0.7925271 0.7925271 0.8325421 0.8325421 0.9621212 0.9621212 1.0676858 1.0676858 1.0906450 1.0906450 1.1531461 1.1531461 1.3494071 1.3494071 1.7987418 1.7987418 1.9350669 1.9350669 2.1086970 2.1086970 2.1946254 2.1946254 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.800 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.16667 -0.05556 114 MATRIX SIZE= 112 WEIGHT=48.00 EIGENVALUES ARE: -2.9163719 -2.9163719 -1.4042797 -1.4042797 -0.6051808 -0.6051808 -0.5355240 -0.5355240 -0.2469254 -0.2469254 0.3835708 0.3835708 0.4828973 0.4828973 0.5046982 0.5046982 0.6201037 0.6201037 0.6487545 0.6487545 0.6731295 0.6731295 0.7205822 0.7205822 0.7485362 0.7485362 0.7564557 0.7564557 0.7842715 0.7842715 0.8442073 0.8442073 1.0061119 1.0061119 1.1016624 1.1016624 1.1315519 1.1315519 1.1986484 1.1986484 1.3876284 1.3876284 1.8182306 1.8182306 1.8770917 1.8770917 2.0406704 2.0406704 2.1621429 2.1621429 2.4718465 2.4718465 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.820 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.55556 0.22222 -0.11111 115 MATRIX SIZE= 110 WEIGHT=48.00 EIGENVALUES ARE: -2.9156639 -2.9156639 -1.4066089 -1.4066089 -0.6178701 -0.6178701 -0.5394885 -0.5394885 -0.2358143 -0.2358143 0.3799694 0.3799694 0.4718320 0.4718320 0.5003329 0.5003329 0.6240011 0.6240011 0.6441468 0.6441468 0.6625267 0.6625267 0.7214530 0.7214530 0.7427594 0.7427594 0.7500042 0.7500042 0.7758025 0.7758025 0.8607364 0.8607364 1.0569508 1.0569508 1.1328798 1.1328798 1.1683440 1.1683440 1.2586025 1.2586025 1.4240737 1.4240737 1.7143849 1.7143849 1.9155939 1.9155939 1.9936646 1.9936646 2.1522385 2.1522385 2.4104441 2.4104441 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.840 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.61111 0.27778 -0.16667 116 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9150291 -2.9150291 -1.4086788 -1.4086788 -0.6286540 -0.6286540 -0.5432222 -0.5432222 -0.2253651 -0.2253651 0.3744387 0.3744387 0.4635937 0.4635937 0.4940358 0.4940358 0.6286098 0.6286098 0.6408592 0.6408592 0.6539607 0.6539607 0.7224819 0.7224819 0.7390363 0.7390363 0.7463738 0.7463738 0.7682383 0.7682383 0.8836200 0.8836200 1.0933764 1.0933764 1.1652686 1.1652686 1.2009976 1.2009976 1.3271465 1.3271465 1.4608449 1.4608449 1.6192432 1.6192432 1.8647652 1.8647652 2.0081198 2.0081198 2.1772865 2.1772865 2.3452418 2.3452418 2.4500048 2.4500048 2.4720104 2.4720104 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.870 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.33333 -0.22222 117 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9145451 -2.9145451 -1.4103101 -1.4103101 -0.6366467 -0.6366467 -0.5462835 -0.5462835 -0.2161663 -0.2161663 0.3660834 0.3660834 0.4590500 0.4590500 0.4884980 0.4884980 0.6322800 0.6322800 0.6389182 0.6389182 0.6481037 0.6481037 0.7234025 0.7234025 0.7373427 0.7373427 0.7446595 0.7446595 0.7626459 0.7626459 0.9139784 0.9139784 1.0937052 1.0937052 1.1940570 1.1940570 1.2413255 1.2413255 1.3941456 1.3941456 1.4977496 1.4977496 1.5417257 1.5417257 1.8150588 1.8150588 1.9828959 1.9828959 2.2105238 2.2105238 2.3285849 2.3285849 2.4037319 2.4037319 2.4324895 2.4324895 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.900 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.72222 0.38889 -0.27778 118 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9142717 -2.9142717 -1.4112781 -1.4112781 -0.6413463 -0.6413463 -0.5481798 -0.5481798 -0.2087865 -0.2087865 0.3566811 0.3566811 0.4550595 0.4550595 0.4871294 0.4871294 0.6339623 0.6339623 0.6380485 0.6380485 0.6452929 0.6452929 0.7240027 0.7240027 0.7369171 0.7369171 0.7442930 0.7442930 0.7591862 0.7591862 0.9516004 0.9516004 1.0696611 1.0696611 1.1980358 1.1980358 1.2819796 1.2819796 1.4418367 1.4418367 1.4881857 1.4881857 1.5386173 1.5386173 1.7975157 1.7975157 1.9291714 1.9291714 2.2144808 2.2144808 2.3396845 2.3396845 2.3970819 2.3970819 2.4137841 2.4137841 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.920 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.77778 0.44444 -0.33333 119 MATRIX SIZE= 102 WEIGHT=48.00 EIGENVALUES ARE: -2.9142426 -2.9142426 -1.4113731 -1.4113731 -0.6425273 -0.6425273 -0.5485170 -0.5485170 -0.2038694 -0.2038694 0.3488055 0.3488055 0.4496977 0.4496977 0.4906949 0.4906949 0.6342030 0.6342030 0.6376686 0.6376686 0.6451550 0.6451550 0.7242665 0.7242665 0.7372041 0.7372041 0.7447055 0.7447055 0.7575896 0.7575896 0.9930283 0.9930283 1.0369069 1.0369069 1.1802986 1.1802986 1.2793037 1.2793037 1.4602024 1.4602024 1.4946297 1.4946297 1.5555843 1.5555843 1.8067477 1.8067477 1.9041840 1.9041840 2.2150726 2.2150726 2.3354881 2.3354881 2.3906203 2.3906203 2.4213338 2.4213338 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.940 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.83333 0.50000 -0.38889 120 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9144617 -2.9144617 -1.4107905 -1.4107905 -0.6402405 -0.6402405 -0.5470860 -0.5470860 -0.2021646 -0.2021646 0.3442835 0.3442835 0.4446681 0.4446681 0.4963994 0.4963994 0.6338579 0.6338579 0.6373400 0.6373400 0.6472573 0.6472573 0.7241792 0.7241792 0.7381319 0.7381319 0.7456857 0.7456857 0.7577995 0.7577995 0.9994298 0.9994298 1.0367590 1.0367590 1.1473789 1.1473789 1.2355251 1.2355251 1.4681954 1.4681954 1.5165241 1.5165241 1.5419571 1.5419571 1.8274835 1.8274835 1.9509345 1.9509345 2.2143611 2.2143611 2.3323487 2.3323487 2.3907293 2.3907293 2.4099956 2.4099956 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.960 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.55556 -0.44444 121 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9149018 -2.9149018 -1.4093160 -1.4093160 -0.6347098 -0.6347098 -0.5438469 -0.5438469 -0.2043358 -0.2043358 0.3440798 0.3440798 0.4419132 0.4419132 0.5015089 0.5015089 0.6319159 0.6319159 0.6383456 0.6383456 0.6515299 0.6515299 0.7237198 0.7237198 0.7398589 0.7398589 0.7476328 0.7476328 0.7600243 0.7600243 0.9711717 0.9711717 1.0610754 1.0610754 1.1074790 1.1074790 1.1874106 1.1874106 1.4271049 1.4271049 1.4884691 1.4884691 1.5853461 1.5853461 1.8721390 1.8721390 2.0238628 2.0238628 2.2027951 2.2027951 2.3212555 2.3212555 2.3839539 2.3839539 2.4499329 2.4499329 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.980 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.61111 -0.50000 122 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9155087 -2.9155087 -1.4072860 -1.4072860 -0.6264424 -0.6264424 -0.5389953 -0.5389953 -0.2107958 -0.2107958 0.3485240 0.3485240 0.4425288 0.4425288 0.5042559 0.5042559 0.6285182 0.6285182 0.6414208 0.6414208 0.6574866 0.6574866 0.7230356 0.7230356 0.7426627 0.7426627 0.7510516 0.7510516 0.7641842 0.7641842 0.9476705 0.9476705 1.0529248 1.0529248 1.0713484 1.0713484 1.1545407 1.1545407 1.3583230 1.3583230 1.4450498 1.4450498 1.6585319 1.6585319 1.9046823 1.9046823 2.0751185 2.0751185 2.1932496 2.1932496 2.3545920 2.3545920 2.4044976 2.4044976 2.4990863 2.4990863 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.010 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.66667 -0.55556 123 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9162080 -2.9162080 -1.4050189 -1.4050189 -0.6161709 -0.6161709 -0.5329697 -0.5329697 -0.2213527 -0.2213527 0.3575358 0.3575358 0.4468741 0.4468741 0.5035230 0.5035230 0.6250607 0.6250607 0.6462953 0.6462953 0.6643995 0.6643995 0.7224292 0.7224292 0.7467798 0.7467798 0.7558363 0.7558363 0.7698156 0.7698156 0.9281936 0.9281936 1.0214395 1.0214395 1.0414564 1.0414564 1.1289643 1.1289643 1.2893503 1.2893503 1.3976085 1.3976085 1.7465166 1.7465166 1.8814521 1.8814521 2.1003995 2.1003995 2.2351195 2.2351195 2.4151025 2.4151025 2.4409124 2.4409124 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.030 Seclr4(Transform to eigenwertproblem) : 0.010 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.55556 0.11111 0.00000 124 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9159694 -2.9159694 -1.4055084 -1.4055084 -0.6053160 -0.6053160 -0.5413016 -0.5413016 -0.2579558 -0.2579558 0.3982945 0.3982945 0.4993189 0.4993189 0.5118605 0.5118605 0.6177265 0.6177265 0.6465768 0.6465768 0.6723102 0.6723102 0.7191113 0.7191113 0.7455308 0.7455308 0.7559901 0.7559901 0.7852126 0.7852126 0.8267689 0.8267689 1.0068460 1.0068460 1.1424026 1.1424026 1.1574273 1.1574273 1.1932722 1.1932722 1.4024359 1.4024359 1.8002971 1.8002971 1.9089974 1.9089974 2.0106638 2.0106638 2.0784733 2.0784733 2.4677655 2.4677655 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.060 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.61111 0.16667 -0.05556 125 MATRIX SIZE= 110 WEIGHT=48.00 EIGENVALUES ARE: -2.9153397 -2.9153397 -1.4075305 -1.4075305 -0.6141359 -0.6141359 -0.5460746 -0.5460746 -0.2545804 -0.2545804 0.4049920 0.4049920 0.4909374 0.4909374 0.5129274 0.5129274 0.6210237 0.6210237 0.6432767 0.6432767 0.6631915 0.6631915 0.7197079 0.7197079 0.7412522 0.7412522 0.7487979 0.7487979 0.7798106 0.7798106 0.8350414 0.8350414 1.0492866 1.0492866 1.1708886 1.1708886 1.1952702 1.1952702 1.2364845 1.2364845 1.4283617 1.4283617 1.7007141 1.7007141 1.9215449 1.9215449 1.9963463 1.9963463 2.0832182 2.0832182 2.4167877 2.4167877 2.4827791 2.4827791 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.080 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.22222 -0.11111 126 MATRIX SIZE= 108 WEIGHT=48.00 EIGENVALUES ARE: -2.9147561 -2.9147561 -1.4093432 -1.4093432 -0.6222463 -0.6222463 -0.5510844 -0.5510844 -0.2489342 -0.2489342 0.4074106 0.4074106 0.4823010 0.4823010 0.5116887 0.5116887 0.6261090 0.6261090 0.6409489 0.6409489 0.6551622 0.6551622 0.7207391 0.7207391 0.7380702 0.7380702 0.7442701 0.7442701 0.7732924 0.7732924 0.8486059 0.8486059 1.0937521 1.0937521 1.1880586 1.1880586 1.2260668 1.2260668 1.2925808 1.2925808 1.4608298 1.4608298 1.6058119 1.6058119 1.8744877 1.8744877 1.9959251 1.9959251 2.1535709 2.1535709 2.3576704 2.3576704 2.4298188 2.4298188 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.110 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.72222 0.27778 -0.16667 127 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9142895 -2.9142895 -1.4108965 -1.4108965 -0.6287846 -0.6287846 -0.5557406 -0.5557406 -0.2414485 -0.2414485 0.4021325 0.4021325 0.4760220 0.4760220 0.5108252 0.5108252 0.6309160 0.6309160 0.6397917 0.6397917 0.6492397 0.6492397 0.7220358 0.7220358 0.7365362 0.7365362 0.7419164 0.7419164 0.7670173 0.7670173 0.8698684 0.8698684 1.1122958 1.1122958 1.2078138 1.2078138 1.2482423 1.2482423 1.3541027 1.3541027 1.4975382 1.4975382 1.5289880 1.5289880 1.8335202 1.8335202 1.9816893 1.9816893 2.2270896 2.2270896 2.3144571 2.3144571 2.3809550 2.3809550 2.4804659 2.4804659 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.130 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.33333 -0.22222 128 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9139973 -2.9139973 -1.4119040 -1.4119040 -0.6333341 -0.6333341 -0.5591079 -0.5591079 -0.2328615 -0.2328615 0.3907682 0.3907682 0.4699780 0.4699780 0.5124932 0.5124932 0.6335299 0.6335299 0.6394131 0.6394131 0.6461350 0.6461350 0.7232567 0.7232567 0.7364439 0.7364439 0.7411162 0.7411162 0.7621202 0.7621202 0.9006972 0.9006972 1.0923803 1.0923803 1.2232676 1.2232676 1.2717110 1.2717110 1.4058562 1.4058562 1.4611769 1.4611769 1.5551753 1.5551753 1.8184703 1.8184703 1.9483789 1.9483789 2.2394344 2.2394344 2.3132243 2.3132243 2.3485246 2.3485246 2.4598226 2.4598226 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.150 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.38889 -0.27778 129 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9139158 -2.9139158 -1.4122201 -1.4122201 -0.6357898 -0.6357898 -0.5602884 -0.5602884 -0.2241652 -0.2241652 0.3774740 0.3774740 0.4623146 0.4623146 0.5157761 0.5157761 0.6340350 0.6340350 0.6392379 0.6392379 0.6455545 0.6455545 0.7241511 0.7241511 0.7369197 0.7369197 0.7415028 0.7415028 0.7589270 0.7589270 0.9407993 0.9407993 1.0578553 1.0578553 1.2081705 1.2081705 1.2780102 1.2780102 1.4230490 1.4230490 1.4676671 1.4676671 1.5957205 1.5957205 1.8198110 1.8198110 1.9201087 1.9201087 2.2396983 2.2396983 2.2956351 2.2956351 2.3357524 2.3357524 2.4766700 2.4766700 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.180 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.44444 -0.33333 130 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9140554 -2.9140554 -1.4118724 -1.4118724 -0.6362092 -0.6362092 -0.5587090 -0.5587090 -0.2165136 -0.2165136 0.3652038 0.3652038 0.4541268 0.4541268 0.5179660 0.5179660 0.6337759 0.6337759 0.6389493 0.6389493 0.6465132 0.6465132 0.7246115 0.7246115 0.7376081 0.7376081 0.7426524 0.7426524 0.7575232 0.7575232 0.9858658 0.9858658 1.0234837 1.0234837 1.1754753 1.1754753 1.2426102 1.2426102 1.4551939 1.4551939 1.4893558 1.4893558 1.6005432 1.6005432 1.8171164 1.8171164 1.9500842 1.9500842 2.2447755 2.2447755 2.2868355 2.2868355 2.3384509 2.3384509 2.4631818 2.4631818 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.200 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.50000 -0.38889 131 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9143989 -2.9143989 -1.4108095 -1.4108095 -0.6346847 -0.6346847 -0.5542671 -0.5542671 -0.2111037 -0.2111037 0.3556165 0.3556165 0.4472045 0.4472045 0.5171204 0.5171204 0.6334144 0.6334144 0.6379520 0.6379520 0.6492233 0.6492233 0.7245030 0.7245030 0.7386450 0.7386450 0.7445332 0.7445332 0.7580907 0.7580907 0.9918723 0.9918723 1.0298967 1.0298967 1.1365646 1.1365646 1.1993907 1.1993907 1.4652187 1.4652187 1.5238195 1.5238195 1.5535895 1.5535895 1.8465172 1.8465172 2.0087945 2.0087945 2.2541473 2.2541473 2.2898093 2.2898093 2.3401749 2.3401749 2.4408913 2.4408913 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.220 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.55556 -0.44444 132 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9149041 -2.9149041 -1.4092092 -1.4092092 -0.6313602 -0.6313602 -0.5473942 -0.5473942 -0.2089945 -0.2089945 0.3497825 0.3497825 0.4430224 0.4430224 0.5125126 0.5125126 0.6315498 0.6315498 0.6385096 0.6385096 0.6531527 0.6531527 0.7238668 0.7238668 0.7402446 0.7402446 0.7474129 0.7474129 0.7604832 0.7604832 0.9679245 0.9679245 1.0540928 1.0540928 1.1001472 1.1001472 1.1692946 1.1692946 1.4258326 1.4258326 1.4901846 1.4901846 1.5877394 1.5877394 1.8859269 1.8859269 2.0593252 2.0593252 2.2241162 2.2241162 2.3217589 2.3217589 2.3497634 2.3497634 2.4601685 2.4601685 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.250 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.66667 0.11111 0.00000 133 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9149387 -2.9149387 -1.4085111 -1.4085111 -0.6131053 -0.6131053 -0.5507064 -0.5507064 -0.2716801 -0.2716801 0.4287631 0.4287631 0.5090357 0.5090357 0.5219282 0.5219282 0.6179218 0.6179218 0.6422163 0.6422163 0.6601382 0.6601382 0.7176338 0.7176338 0.7392658 0.7392658 0.7475732 0.7475732 0.7814350 0.7814350 0.8251204 0.8251204 1.0528959 1.0528959 1.1965977 1.1965977 1.2139567 1.2139567 1.2520641 1.2520641 1.4261263 1.4261263 1.6693561 1.6693561 1.9131004 1.9131004 1.9844117 1.9844117 2.0661650 2.0661650 2.3949553 2.3949553 2.4463554 2.4463554 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.270 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.72222 0.16667 -0.05556 134 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9144335 -2.9144335 -1.4101225 -1.4101225 -0.6178958 -0.6178958 -0.5563113 -0.5563113 -0.2716874 -0.2716874 0.4369337 0.4369337 0.5025288 0.5025288 0.5275340 0.5275340 0.6225175 0.6225175 0.6407923 0.6407923 0.6534531 0.6534531 0.7177919 0.7177919 0.7370758 0.7370758 0.7433708 0.7433708 0.7773281 0.7773281 0.8307592 0.8307592 1.0923990 1.0923990 1.2139652 1.2139652 1.2481181 1.2481181 1.2791095 1.2791095 1.4516905 1.4516905 1.5859301 1.5859301 1.8761182 1.8761182 1.9688864 1.9688864 2.1529458 2.1529458 2.3440772 2.3440772 2.3889644 2.3889644 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.290 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.22222 -0.11111 135 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9140176 -2.9140176 -1.4114888 -1.4114888 -0.6218824 -0.6218824 -0.5625298 -0.5625298 -0.2667633 -0.2667633 0.4347223 0.4347223 0.4948715 0.4948715 0.5331101 0.5331101 0.6284854 0.6284854 0.6402651 0.6402651 0.6484764 0.6484764 0.7187200 0.7187200 0.7358428 0.7358428 0.7406641 0.7406641 0.7719379 0.7719379 0.8416136 0.8416136 1.1278643 1.1278643 1.2103145 1.2103145 1.2750492 1.2750492 1.3176731 1.3176731 1.4784518 1.4784518 1.5271451 1.5271451 1.8460455 1.8460455 1.9587556 1.9587556 2.2358926 2.2358926 2.3016148 2.3016148 2.3333661 2.3333661 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.320 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.27778 -0.16667 136 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9137419 -2.9137419 -1.4124557 -1.4124557 -0.6250111 -0.6250111 -0.5678948 -0.5678948 -0.2577852 -0.2577852 0.4230959 0.4230959 0.4865910 0.4865910 0.5382246 0.5382246 0.6327515 0.6327515 0.6400626 0.6400626 0.6463350 0.6463350 0.7205818 0.7205818 0.7357864 0.7357864 0.7392162 0.7392162 0.7664822 0.7664822 0.8613939 0.8613939 1.1234558 1.1234558 1.2243166 1.2243166 1.2794753 1.2794753 1.3663961 1.3663961 1.4379952 1.4379952 1.5654218 1.5654218 1.8314203 1.8314203 1.9441606 1.9441606 2.2489524 2.2489524 2.2831415 2.2831415 2.3201213 2.3201213 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.340 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.33333 -0.22222 137 MATRIX SIZE= 102 WEIGHT=48.00 EIGENVALUES ARE: -2.9136408 -2.9136408 -1.4128741 -1.4128741 -0.6277774 -0.6277774 -0.5704733 -0.5704733 -0.2461420 -0.2461420 0.4065245 0.4065245 0.4768955 0.4768955 0.5404347 0.5404347 0.6341105 0.6341105 0.6397162 0.6397162 0.6464945 0.6464945 0.7227620 0.7227620 0.7365832 0.7365832 0.7388410 0.7388410 0.7619532 0.7619532 0.8928469 0.8928469 1.0891390 1.0891390 1.2315619 1.2315619 1.2762209 1.2762209 1.3884767 1.3884767 1.4332036 1.4332036 1.6244061 1.6244061 1.8186952 1.8186952 1.9325806 1.9325806 2.2381169 2.2381169 2.2587706 2.2587706 2.3217485 2.3217485 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.360 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.38889 -0.27778 138 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9137271 -2.9137271 -1.4127196 -1.4127196 -0.6305748 -0.6305748 -0.5689075 -0.5689075 -0.2334152 -0.2334152 0.3884592 0.3884592 0.4661694 0.4661694 0.5377628 0.5377628 0.6338010 0.6338010 0.6400682 0.6400682 0.6465773 0.6465773 0.7243180 0.7243180 0.7373301 0.7373301 0.7397812 0.7397812 0.7588633 0.7588633 0.9352220 0.9352220 1.0522355 1.0522355 1.2056560 1.2056560 1.2559666 1.2559666 1.4122400 1.4122400 1.4650618 1.4650618 1.6626162 1.6626162 1.7928340 1.7928340 1.9509038 1.9509038 2.2312505 2.2312505 2.2679703 2.2679703 2.3042491 2.3042491 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.390 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.44444 -0.33333 139 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9139906 -2.9139906 -1.4119881 -1.4119881 -0.6331144 -0.6331144 -0.5631457 -0.5631457 -0.2212233 -0.2212233 0.3709559 0.3709559 0.4557469 0.4557469 0.5297241 0.5297241 0.6335159 0.6335159 0.6394890 0.6394890 0.6472878 0.6472878 0.7248474 0.7248474 0.7379115 0.7379115 0.7417929 0.7417929 0.7575658 0.7575658 0.9829512 0.9829512 1.0204598 1.0204598 1.1705167 1.1705167 1.2238067 1.2238067 1.4542186 1.4542186 1.4881448 1.4881448 1.6264668 1.6264668 1.8095105 1.8095105 1.9828945 1.9828945 2.2484247 2.2484247 2.2766289 2.2766289 2.3068801 2.3068801 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.410 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.11111 0.00000 140 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9140996 -2.9140996 -1.4110589 -1.4110589 -0.6163412 -0.6163412 -0.5587445 -0.5587445 -0.2906009 -0.2906009 0.4585142 0.4585142 0.5187827 0.5187827 0.5437551 0.5437551 0.6186441 0.6186441 0.6405872 0.6405872 0.6491886 0.6491886 0.7152547 0.7152547 0.7362352 0.7362352 0.7429211 0.7429211 0.7805079 0.7805079 0.8253538 0.8253538 1.0971901 1.0971901 1.2251386 1.2251386 1.2603476 1.2603476 1.3052596 1.3052596 1.4340745 1.4340745 1.5523437 1.5523437 1.8668797 1.8668797 1.9533515 1.9533515 2.1842869 2.1842869 2.3139697 2.3139697 2.3471980 2.3471980 2.4702036 2.4702036 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.430 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.16667 -0.05556 141 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9137619 -2.9137619 -1.4121065 -1.4121065 -0.6178399 -0.6178399 -0.5650350 -0.5650350 -0.2892790 -0.2892790 0.4587636 0.4587636 0.5123844 0.5123844 0.5549573 0.5549573 0.6245302 0.6245302 0.6405647 0.6405647 0.6451606 0.6451606 0.7150357 0.7150357 0.7354996 0.7354996 0.7407956 0.7407956 0.7766486 0.7766486 0.8293059 0.8293059 1.1323607 1.1323607 1.2294807 1.2294807 1.2743626 1.2743626 1.3179184 1.3179184 1.4547496 1.4547496 1.5101532 1.5101532 1.8487063 1.8487063 1.9485244 1.9485244 2.2534830 2.2534830 2.2769942 2.2769942 2.2954073 2.2954073 2.4965509 2.4965509 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.460 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.22222 -0.11111 142 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9135363 -2.9135363 -1.4128664 -1.4128664 -0.6187804 -0.6187804 -0.5719899 -0.5719899 -0.2810749 -0.2810749 0.4492275 0.4492275 0.5030903 0.5030903 0.5616051 0.5616051 0.6310171 0.6310171 0.6399607 0.6399607 0.6445721 0.6445721 0.7161833 0.7161833 0.7353304 0.7353304 0.7392214 0.7392214 0.7715837 0.7715837 0.8383013 0.8383013 1.1568360 1.1568360 1.2076653 1.2076653 1.3024019 1.3024019 1.3309889 1.3309889 1.4228324 1.4228324 1.5509498 1.5509498 1.8355008 1.8355008 1.9461951 1.9461951 2.2306264 2.2306264 2.2516201 2.2516201 2.3269678 2.3269678 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.480 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.27778 -0.16667 143 MATRIX SIZE= 102 WEIGHT=48.00 EIGENVALUES ARE: -2.9134511 -2.9134511 -1.4132338 -1.4132338 -0.6205214 -0.6205214 -0.5765143 -0.5765143 -0.2676668 -0.2676668 0.4325949 0.4325949 0.4918814 0.4918814 0.5612225 0.5612225 0.6342774 0.6342774 0.6390175 0.6390175 0.6466596 0.6466596 0.7191792 0.7191792 0.7357645 0.7357645 0.7382614 0.7382614 0.7664042 0.7664042 0.8574643 0.8574643 1.1284924 1.1284924 1.2250579 1.2250579 1.2928811 1.2928811 1.3623476 1.3623476 1.4018886 1.4018886 1.6159054 1.6159054 1.8179323 1.8179323 1.9458083 1.9458083 2.2038179 2.2038179 2.2414650 2.2414650 2.3422771 2.3422771 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.500 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.33333 -0.22222 144 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9135172 -2.9135172 -1.4132204 -1.4132204 -0.6246807 -0.6246807 -0.5755277 -0.5755277 -0.2511036 -0.2511036 0.4116169 0.4116169 0.4792469 0.4792469 0.5529528 0.5529528 0.6343034 0.6343034 0.6396347 0.6396347 0.6472874 0.6472874 0.7225130 0.7225130 0.7367375 0.7367375 0.7381310 0.7381310 0.7619394 0.7619394 0.8902781 0.8902781 1.0880817 1.0880817 1.2285047 1.2285047 1.2747334 1.2747334 1.3768552 1.3768552 1.4311155 1.4311155 1.6704903 1.6704903 1.7899912 1.7899912 1.9496889 1.9496889 2.2018149 2.2018149 2.2534827 2.2534827 2.3209185 2.3209185 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.520 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.11111 0.00000 145 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.9135524 -2.9135524 -1.4126547 -1.4126547 -0.6167737 -0.6167737 -0.5643533 -0.5643533 -0.3059521 -0.3059521 0.4732678 0.4732678 0.5241725 0.5241725 0.5742567 0.5742567 0.6196959 0.6196959 0.6406980 0.6406980 0.6417374 0.6417374 0.7130244 0.7130244 0.7355844 0.7355844 0.7411245 0.7411245 0.7808862 0.7808862 0.8262426 0.8262426 1.1331264 1.1331264 1.2436822 1.2436822 1.2748084 1.2748084 1.3388487 1.3388487 1.4333579 1.4333579 1.4758689 1.4758689 1.8489611 1.8489611 1.9530830 1.9530830 2.2455333 2.2455333 2.2601634 2.2601634 2.2948687 2.2948687 2.4298983 2.4298983 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.550 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.16667 -0.05556 146 MATRIX SIZE= 102 WEIGHT=48.00 EIGENVALUES ARE: -2.9134048 -2.9134048 -1.4131520 -1.4131520 -0.6164573 -0.6164573 -0.5704382 -0.5704382 -0.3000239 -0.3000239 0.4672292 0.4672292 0.5169512 0.5169512 0.5792827 0.5792827 0.6265868 0.6265868 0.6387463 0.6387463 0.6428130 0.6428130 0.7130151 0.7130151 0.7355023 0.7355023 0.7399322 0.7399322 0.7767371 0.7767371 0.8291019 0.8291019 1.1618314 1.1618314 1.2254013 1.2254013 1.2827853 1.2827853 1.3384669 1.3384669 1.4173762 1.4173762 1.5092916 1.5092916 1.8409980 1.8409980 1.9558175 1.9558175 2.2127652 2.2127652 2.2323471 2.2323471 2.3396525 2.3396525 2.4724627 2.4724627 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.570 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.22222 -0.11111 147 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.9133694 -2.9133694 -1.4133430 -1.4133430 -0.6168010 -0.6168010 -0.5760212 -0.5760212 -0.2864561 -0.2864561 0.4533191 0.4533191 0.5057052 0.5057052 0.5748355 0.5748355 0.6328146 0.6328146 0.6379840 0.6379840 0.6448932 0.6448932 0.7150149 0.7150149 0.7354691 0.7354691 0.7388584 0.7388584 0.7715864 0.7715864 0.8373701 0.8373701 1.1732656 1.1732656 1.1978185 1.1978185 1.3107896 1.3107896 1.3337736 1.3337736 1.3984077 1.3984077 1.5683862 1.5683862 1.8296329 1.8296329 1.9543636 1.9543636 2.1930769 2.1930769 2.2291795 2.2291795 2.3552693 2.3552693 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.600 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.11111 0.00000 148 MATRIX SIZE= 102 WEIGHT=12.00 EIGENVALUES ARE: -2.9133625 -2.9133625 -1.4132291 -1.4132291 -0.6165639 -0.6165639 -0.5664210 -0.5664210 -0.3117684 -0.3117684 0.4771547 0.4771547 0.5259192 0.5259192 0.5880329 0.5880329 0.6203054 0.6203054 0.6380619 0.6380619 0.6424275 0.6424275 0.7121284 0.7121284 0.7357681 0.7357681 0.7406830 0.7406830 0.7811956 0.7811956 0.8267387 0.8267387 1.1481151 1.1481151 1.2505236 1.2505236 1.2745555 1.2745555 1.3487686 1.3487686 1.4201513 1.4201513 1.4620897 1.4620897 1.8468424 1.8468424 1.9616786 1.9616786 2.2162755 2.2162755 2.2253682 2.2253682 2.3419106 2.3419106 2.4159591 2.4159591 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.620 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.44444 0.22222 0.00000 149 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9167273 -2.9167273 -1.4031543 -1.4031543 -0.6036330 -0.6036330 -0.5307808 -0.5307808 -0.2410048 -0.2410048 0.3760003 0.3760003 0.4673405 0.4673405 0.5036704 0.5036704 0.6213061 0.6213061 0.6511717 0.6511717 0.6735478 0.6735478 0.7215383 0.7215383 0.7513070 0.7513070 0.7590506 0.7590506 0.7805700 0.7805700 0.8727818 0.8727818 0.9948992 0.9948992 1.0562081 1.0562081 1.1069436 1.1069436 1.2116684 1.2116684 1.3661498 1.3661498 1.8275693 1.8275693 1.8516601 1.8516601 2.1012399 2.1012399 2.2281297 2.2281297 2.4737951 2.4737951 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.640 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.27778 -0.05556 150 MATRIX SIZE= 110 WEIGHT=48.00 EIGENVALUES ARE: -2.9160028 -2.9160028 -1.4055921 -1.4055921 -0.6163191 -0.6163191 -0.5358146 -0.5358146 -0.2279340 -0.2279340 0.3669969 0.3669969 0.4575410 0.4575410 0.5032690 0.5032690 0.6244014 0.6244014 0.6454804 0.6454804 0.6642244 0.6642244 0.7220739 0.7220739 0.7453132 0.7453132 0.7530096 0.7530096 0.7727891 0.7727891 0.8898645 0.8898645 1.0353373 1.0353373 1.0871047 1.0871047 1.1432907 1.1432907 1.2713062 1.2713062 1.4107032 1.4107032 1.7379821 1.7379821 1.8967752 1.8967752 2.0537606 2.0537606 2.1836362 2.1836362 2.4185288 2.4185288 2.4908099 2.4908099 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.670 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.55556 0.33333 -0.11111 151 MATRIX SIZE= 108 WEIGHT=48.00 EIGENVALUES ARE: -2.9153196 -2.9153196 -1.4078863 -1.4078863 -0.6274786 -0.6274786 -0.5403500 -0.5403500 -0.2169606 -0.2169606 0.3593191 0.3593191 0.4511789 0.4511789 0.4992811 0.4992811 0.6283673 0.6283673 0.6412553 0.6412553 0.6560530 0.6560530 0.7228523 0.7228523 0.7410955 0.7410955 0.7486592 0.7486592 0.7662453 0.7662453 0.9113652 0.9113652 1.0718543 1.0718543 1.1194198 1.1194198 1.1732176 1.1732176 1.3410875 1.3410875 1.4531674 1.4531674 1.6463885 1.6463885 1.8936859 1.8936859 2.0301178 2.0301178 2.1746620 2.1746620 2.3526150 2.3526150 2.4388035 2.4388035 2.4881530 2.4881530 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.690 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.61111 0.38889 -0.16667 152 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9147609 -2.9147609 -1.4097108 -1.4097108 -0.6360880 -0.6360880 -0.5439633 -0.5439633 -0.2088185 -0.2088185 0.3528237 0.3528237 0.4490614 0.4490614 0.4933027 0.4933027 0.6319278 0.6319278 0.6386378 0.6386378 0.6498608 0.6498608 0.7236210 0.7236210 0.7386176 0.7386176 0.7461676 0.7461676 0.7613953 0.7613953 0.9390483 0.9390483 1.0760249 1.0760249 1.1559631 1.1559631 1.2123973 1.2123973 1.4085635 1.4085635 1.4926699 1.4926699 1.5704565 1.5704565 1.8417870 1.8417870 1.9957933 1.9957933 2.2009667 2.2009667 2.3244312 2.3244312 2.4007198 2.4007198 2.4465555 2.4465555 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.720 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.44444 -0.22222 153 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9143954 -2.9143954 -1.4109026 -1.4109026 -0.6414994 -0.6414994 -0.5462905 -0.5462905 -0.2038590 -0.2038590 0.3482664 0.3482664 0.4499034 0.4499034 0.4875342 0.4875342 0.6338305 0.6338305 0.6376168 0.6376168 0.6461403 0.6461403 0.7241192 0.7241192 0.7374357 0.7374357 0.7451226 0.7451226 0.7585744 0.7585744 0.9730374 0.9730374 1.0512935 1.0512935 1.1835645 1.1835645 1.2606316 1.2606316 1.4522318 1.4522318 1.5058895 1.5058895 1.5365984 1.5365984 1.8047769 1.8047769 1.9359982 1.9359982 2.2099633 2.2099633 2.3412124 2.3412124 2.3914493 2.3914493 2.4201442 2.4201442 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.740 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.72222 0.50000 -0.27778 154 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9142684 -2.9142684 -1.4113491 -1.4113491 -0.6433473 -0.6433473 -0.5470922 -0.5470922 -0.2022023 -0.2022023 0.3466143 0.3466143 0.4508169 0.4508169 0.4849878 0.4849878 0.6342174 0.6342174 0.6374902 0.6374902 0.6449762 0.6449762 0.7242783 0.7242783 0.7370911 0.7370911 0.7448857 0.7448857 0.7576822 0.7576822 1.0041750 1.0041750 1.0215888 1.0215888 1.1934623 1.1934623 1.2867457 1.2867457 1.4528909 1.4528909 1.4990825 1.4990825 1.5469131 1.5469131 1.7985763 1.7985763 1.9011522 1.9011522 2.2106117 2.2106117 2.3396087 2.3396087 2.3966074 2.3966074 2.4230639 2.4230639 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.760 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.55556 0.22222 0.00000 155 MATRIX SIZE= 112 WEIGHT=24.00 EIGENVALUES ARE: -2.9157254 -2.9157254 -1.4063958 -1.4063958 -0.6141400 -0.6141400 -0.5412863 -0.5412863 -0.2413509 -0.2413509 0.3851976 0.3851976 0.4736749 0.4736749 0.5099336 0.5099336 0.6226074 0.6226074 0.6445420 0.6445420 0.6650855 0.6650855 0.7211442 0.7211442 0.7437057 0.7437057 0.7509072 0.7509072 0.7766228 0.7766228 0.8566710 0.8566710 1.0359268 1.0359268 1.1318659 1.1318659 1.1657680 1.1657680 1.2468339 1.2468339 1.4213128 1.4213128 1.7281207 1.7281207 1.9105712 1.9105712 2.0333562 2.0333562 2.1154423 2.1154423 2.4306093 2.4306093 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.790 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.61111 0.27778 -0.05556 156 MATRIX SIZE= 108 WEIGHT=48.00 EIGENVALUES ARE: -2.9150933 -2.9150933 -1.4084050 -1.4084050 -0.6225176 -0.6225176 -0.5471379 -0.5471379 -0.2354309 -0.2354309 0.3859047 0.3859047 0.4662818 0.4662818 0.5114861 0.5114861 0.6265676 0.6265676 0.6413255 0.6413255 0.6574150 0.6574150 0.7221150 0.7221150 0.7400284 0.7400284 0.7462594 0.7462594 0.7702252 0.7702252 0.8729225 0.8729225 1.0707435 1.0707435 1.1558344 1.1558344 1.1904522 1.1904522 1.3100287 1.3100287 1.4577927 1.4577927 1.6370008 1.6370008 1.8960381 1.8960381 2.0228967 2.0228967 2.1410215 2.1410215 2.3763140 2.3763140 2.4559965 2.4559965 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.810 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.33333 -0.11111 157 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9145524 -2.9145524 -1.4102007 -1.4102007 -0.6294201 -0.6294201 -0.5524178 -0.5524178 -0.2296360 -0.2296360 0.3832060 0.3832060 0.4632193 0.4632193 0.5105542 0.5105542 0.6306511 0.6306511 0.6394520 0.6394520 0.6512404 0.6512404 0.7231896 0.7231896 0.7377847 0.7377847 0.7433461 0.7433461 0.7648525 0.7648525 0.8943816 0.8943816 1.0874477 1.0874477 1.1782905 1.1782905 1.2181140 1.2181140 1.3744069 1.3744069 1.4970399 1.4970399 1.5589922 1.5589922 1.8504900 1.8504900 1.9998502 1.9998502 2.2115835 2.2115835 2.3218526 2.3218526 2.4080812 2.4080812 2.4596958 2.4596958 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.830 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.72222 0.38889 -0.16667 158 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9141689 -2.9141689 -1.4113970 -1.4113970 -0.6342615 -0.6342615 -0.5563647 -0.5563647 -0.2243904 -0.2243904 0.3775599 0.3775599 0.4631540 0.4631540 0.5090159 0.5090159 0.6331850 0.6331850 0.6389111 0.6389111 0.6472776 0.6472776 0.7240078 0.7240078 0.7369484 0.7369484 0.7420203 0.7420203 0.7608527 0.7608527 0.9235152 0.9235152 1.0670109 1.0670109 1.2092820 1.2092820 1.2509369 1.2509369 1.4216379 1.4216379 1.4899085 1.4899085 1.5469355 1.5469355 1.8179943 1.8179943 1.9629255 1.9629255 2.2380569 2.2380569 2.3103357 2.3103357 2.3723161 2.3723161 2.4391497 2.4391497 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.860 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.44444 -0.22222 159 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9139902 -2.9139902 -1.4120013 -1.4120013 -0.6367786 -0.6367786 -0.5583130 -0.5583130 -0.2201636 -0.2201636 0.3715115 0.3715115 0.4622612 0.4622612 0.5088958 0.5088958 0.6339690 0.6339690 0.6387884 0.6387884 0.6458310 0.6458310 0.7244586 0.7244586 0.7368908 0.7368908 0.7418250 0.7418250 0.7585426 0.7585426 0.9607758 0.9607758 1.0296315 1.0296315 1.2206469 1.2206469 1.2796642 1.2796642 1.4208978 1.4208978 1.4841737 1.4841737 1.5745394 1.5745394 1.8155588 1.8155588 1.9215333 1.9215333 2.2340941 2.2340941 2.3053216 2.3053216 2.3535963 2.3535963 2.4608515 2.4608515 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.880 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.50000 -0.27778 160 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9140386 -2.9140386 -1.4118739 -1.4118739 -0.6368687 -0.6368687 -0.5578605 -0.5578605 -0.2174156 -0.2174156 0.3670407 0.3670407 0.4587146 0.4587146 0.5106471 0.5106471 0.6338604 0.6338604 0.6387268 0.6387268 0.6461727 0.6461727 0.7246285 0.7246285 0.7371814 0.7371814 0.7422013 0.7422013 0.7580132 0.7580132 0.9886623 0.9886623 1.0053919 1.0053919 1.2075602 1.2075602 1.2642184 1.2642184 1.4346431 1.4346431 1.4920585 1.4920585 1.5795138 1.5795138 1.8150360 1.8150360 1.9304065 1.9304065 2.2361480 2.2361480 2.3017524 2.3017524 2.3548079 2.3548079 2.4557335 2.4557335 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.910 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.88889 0.55556 -0.33333 161 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9143082 -2.9143082 -1.4111011 -1.4111011 -0.6346049 -0.6346049 -0.5549297 -0.5549297 -0.2166016 -0.2166016 0.3647571 0.3647571 0.4541116 0.4541116 0.5125265 0.5125265 0.6331654 0.6331654 0.6384102 0.6384102 0.6484071 0.6484071 0.7244404 0.7244404 0.7378775 0.7378775 0.7431565 0.7431565 0.7593542 0.7593542 0.9559047 0.9559047 1.0443699 1.0443699 1.1771349 1.1771349 1.2218502 1.2218502 1.4447495 1.4447495 1.5103377 1.5103377 1.5519660 1.5519660 1.8314808 1.8314808 1.9808253 1.9808253 2.2425495 2.2425495 2.3001945 2.3001945 2.3731287 2.3731287 2.4310033 2.4310033 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.930 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.61111 -0.38889 162 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9147656 -2.9147656 -1.4096146 -1.4096146 -0.6301603 -0.6301603 -0.5498115 -0.5498115 -0.2180567 -0.2180567 0.3642631 0.3642631 0.4512354 0.4512354 0.5125879 0.5125879 0.6309791 0.6309791 0.6389936 0.6389936 0.6526324 0.6526324 0.7237822 0.7237822 0.7392931 0.7392931 0.7452634 0.7452634 0.7624866 0.7624866 0.9288976 0.9288976 1.0661650 1.0661650 1.1425318 1.1425318 1.1850879 1.1850879 1.4013107 1.4013107 1.4960674 1.4960674 1.5784907 1.5784907 1.8734452 1.8734452 2.0287030 2.0287030 2.2075430 2.2075430 2.3256976 2.3256976 2.3977148 2.3977148 2.4523203 2.4523203 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.950 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.66667 -0.44444 163 MATRIX SIZE= 110 WEIGHT=24.00 EIGENVALUES ARE: -2.9153545 -2.9153545 -1.4077137 -1.4077137 -0.6238931 -0.6238931 -0.5431446 -0.5431446 -0.2219153 -0.2219153 0.3649597 0.3649597 0.4522091 0.4522091 0.5096708 0.5096708 0.6275620 0.6275620 0.6414733 0.6414733 0.6581601 0.6581601 0.7228641 0.7228641 0.7417359 0.7417359 0.7487456 0.7487456 0.7670499 0.7670499 0.9074090 0.9074090 1.0561136 1.0561136 1.1147354 1.1147354 1.1638793 1.1638793 1.3351657 1.3351657 1.4524467 1.4524467 1.6526303 1.6526303 1.9044030 1.9044030 2.0609225 2.0609225 2.1591450 2.1591450 2.3766301 2.3766301 2.4445920 2.4445920 2.4907685 2.4907685 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.980 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.22222 0.00000 164 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9147859 -2.9147859 -1.4092093 -1.4092093 -0.6191821 -0.6191821 -0.5525343 -0.5525343 -0.2546163 -0.2546163 0.4134051 0.4134051 0.4844364 0.4844364 0.5204041 0.5204041 0.6243568 0.6243568 0.6411376 0.6411376 0.6566330 0.6566330 0.7202338 0.7202338 0.7385571 0.7385571 0.7445211 0.7445211 0.7738625 0.7738625 0.8463705 0.8463705 1.0767784 1.0767784 1.1856101 1.1856101 1.2252625 1.2252625 1.2831366 1.2831366 1.4570387 1.4570387 1.6187941 1.6187941 1.8911903 1.8911903 1.9944632 1.9944632 2.1278116 2.1278116 2.3715758 2.3715758 2.4267312 2.4267312 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.72222 0.27778 -0.05556 165 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9142957 -2.9142957 -1.4107306 -1.4107306 -0.6233809 -0.6233809 -0.5593843 -0.5593843 -0.2518385 -0.2518385 0.4146133 0.4146133 0.4802952 0.4802952 0.5259644 0.5259644 0.6287521 0.6287521 0.6399951 0.6399951 0.6512063 0.6512063 0.7212770 0.7212770 0.7367730 0.7367730 0.7413611 0.7413611 0.7686411 0.7686411 0.8614796 0.8614796 1.1008707 1.1008707 1.1856730 1.1856730 1.2530258 1.2530258 1.3379702 1.3379702 1.4898177 1.4898177 1.5503109 1.5503109 1.8544775 1.8544775 1.9755945 1.9755945 2.2099863 2.2099863 2.3230215 2.3230215 2.3709648 2.3709648 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.020 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.33333 -0.11111 166 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9139291 -2.9139291 -1.4120063 -1.4120063 -0.6264742 -0.6264742 -0.5654465 -0.5654465 -0.2467486 -0.2467486 0.4081231 0.4081231 0.4785312 0.4785312 0.5303770 0.5303770 0.6321912 0.6321912 0.6397710 0.6397710 0.6479332 0.6479332 0.7226047 0.7226047 0.7361203 0.7361203 0.7395733 0.7395733 0.7641909 0.7641909 0.8826148 0.8826148 1.0916170 1.0916170 1.2050524 1.2050524 1.2733423 1.2733423 1.3860650 1.3860650 1.4670198 1.4670198 1.5591539 1.5591539 1.8263551 1.8263551 1.9576245 1.9576245 2.2546906 2.2546906 2.3004040 2.3004040 2.3265712 2.3265712 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.040 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.38889 -0.16667 167 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9137313 -2.9137313 -1.4126854 -1.4126854 -0.6286338 -0.6286338 -0.5692080 -0.5692080 -0.2401890 -0.2401890 0.3979236 0.3979236 0.4756693 0.4756693 0.5334392 0.5334392 0.6336919 0.6336919 0.6394596 0.6394596 0.6471683 0.6471683 0.7238543 0.7238543 0.7364732 0.7364732 0.7388952 0.7388952 0.7607892 0.7607892 0.9129204 0.9129204 1.0555033 1.0555033 1.2332922 1.2332922 1.2819215 1.2819215 1.3919451 1.3919451 1.4589996 1.4589996 1.6005342 1.6005342 1.8180347 1.8180347 1.9337834 1.9337834 2.2446361 2.2446361 2.2834605 2.2834605 2.3180104 2.3180104 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.070 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.44444 -0.22222 168 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9137271 -2.9137271 -1.4127524 -1.4127524 -0.6302093 -0.6302093 -0.5694341 -0.5694341 -0.2331485 -0.2331485 0.3874859 0.3874859 0.4700704 0.4700704 0.5339186 0.5339186 0.6337755 0.6337755 0.6394906 0.6394906 0.6471818 0.6471818 0.7247521 0.7247521 0.7370916 0.7370916 0.7391221 0.7391221 0.7587549 0.7587549 0.9527546 0.9527546 1.0160007 1.0160007 1.2288009 1.2288009 1.2732714 1.2732714 1.3941208 1.3941208 1.4799364 1.4799364 1.6302676 1.6302676 1.8072699 1.8072699 1.9330992 1.9330992 2.2463133 2.2463133 2.2707647 2.2707647 2.3095136 2.3095136 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.090 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.50000 -0.27778 169 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9139172 -2.9139172 -1.4121745 -1.4121745 -0.6312344 -0.6312344 -0.5657448 -0.5657448 -0.2265923 -0.2265923 0.3783172 0.3783172 0.4626566 0.4626566 0.5306637 0.5306637 0.6333640 0.6333640 0.6395233 0.6395233 0.6475933 0.6475933 0.7250807 0.7250807 0.7376631 0.7376631 0.7401222 0.7401222 0.7583772 0.7583772 0.9796482 0.9796482 0.9999163 0.9999163 1.1991039 1.1991039 1.2418316 1.2418316 1.4305436 1.4305436 1.4894173 1.4894173 1.6176073 1.6176073 1.8072778 1.8072778 1.9649504 1.9649504 2.2609616 2.2609616 2.2734849 2.2734849 2.3142967 2.3142967 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.120 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.55556 -0.33333 170 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9142782 -2.9142782 -1.4111048 -1.4111048 -0.6313568 -0.6313568 -0.5587834 -0.5587834 -0.2213594 -0.2213594 0.3706517 0.3706517 0.4555845 0.4555845 0.5233750 0.5233750 0.6327633 0.6327633 0.6386913 0.6386913 0.6495325 0.6495325 0.7246770 0.7246770 0.7382758 0.7382758 0.7421865 0.7421865 0.7597213 0.7597213 0.9519799 0.9519799 1.0410654 1.0410654 1.1673070 1.1673070 1.2080394 1.2080394 1.4424649 1.4424649 1.5110226 1.5110226 1.5638043 1.5638043 1.8406193 1.8406193 1.9995071 1.9995071 2.2545191 2.2545191 2.2984709 2.2984709 2.3392507 2.3392507 2.4654321 2.4654321 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.140 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.22222 0.00000 171 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9140214 -2.9140214 -1.4114150 -1.4114150 -0.6194212 -0.6194212 -0.5634411 -0.5634411 -0.2726913 -0.2726913 0.4411613 0.4411613 0.4982906 0.4982906 0.5400170 0.5400170 0.6264758 0.6264758 0.6402892 0.6402892 0.6489513 0.6489513 0.7179577 0.7179577 0.7358542 0.7358542 0.7408754 0.7408754 0.7725371 0.7725371 0.8409203 0.8409203 1.1152719 1.1152719 1.2027354 1.2027354 1.2859204 1.2859204 1.3082749 1.3082749 1.4724939 1.4724939 1.5352434 1.5352434 1.8516738 1.8516738 1.9549335 1.9549335 2.2267237 2.2267237 2.3014029 2.3014029 2.3338138 2.3338138 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.160 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.27778 -0.05556 172 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9137049 -2.9137049 -1.4124357 -1.4124357 -0.6200159 -0.6200159 -0.5712472 -0.5712472 -0.2685579 -0.2685579 0.4353521 0.4353521 0.4941492 0.4941492 0.5501837 0.5501837 0.6307869 0.6307869 0.6401445 0.6401445 0.6469305 0.6469305 0.7190557 0.7190557 0.7352067 0.7352067 0.7391616 0.7391616 0.7679986 0.7679986 0.8549814 0.8549814 1.1217801 1.1217801 1.1931700 1.1931700 1.3077167 1.3077167 1.3489233 1.3489233 1.4451199 1.4451199 1.5555318 1.5555318 1.8292363 1.8292363 1.9487373 1.9487373 2.2527154 2.2527154 2.2814509 2.2814509 2.3060097 2.3060097 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.180 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.33333 -0.11111 173 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9135232 -2.9135232 -1.4131948 -1.4131948 -0.6205203 -0.6205203 -0.5774093 -0.5774093 -0.2604008 -0.2604008 0.4230460 0.4230460 0.4891014 0.4891014 0.5554237 0.5554237 0.6333765 0.6333765 0.6393749 0.6393749 0.6479404 0.6479404 0.7211440 0.7211440 0.7352415 0.7352415 0.7382209 0.7382209 0.7640590 0.7640590 0.8759801 0.8759801 1.0900986 1.0900986 1.2157287 1.2157287 1.3097244 1.3097244 1.3695184 1.3695184 1.4289556 1.4289556 1.6050587 1.6050587 1.8135727 1.8135727 1.9433169 1.9433169 2.2304230 2.2304230 2.2500307 2.2500307 2.3301719 2.3301719 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.210 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.38889 -0.16667 174 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9134991 -2.9134991 -1.4132929 -1.4132929 -0.6225924 -0.6225924 -0.5788841 -0.5788841 -0.2497095 -0.2497095 0.4081685 0.4081685 0.4818879 0.4818879 0.5538796 0.5538796 0.6339774 0.6339774 0.6392144 0.6392144 0.6487450 0.6487450 0.7235007 0.7235007 0.7359535 0.7359535 0.7378714 0.7378714 0.7608998 0.7608998 0.9076749 0.9076749 1.0491999 1.0491999 1.2317649 1.2317649 1.2977640 1.2977640 1.3623769 1.3623769 1.4556855 1.4556855 1.6548248 1.6548248 1.7918867 1.7918867 1.9440682 1.9440682 2.2191300 2.2191300 2.2495214 2.2495214 2.3164451 2.3164451 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.240 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.44444 -0.22222 175 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9136360 -2.9136360 -1.4129529 -1.4129529 -0.6267086 -0.6267086 -0.5744723 -0.5744723 -0.2379938 -0.2379938 0.3929356 0.3929356 0.4726197 0.4726197 0.5452081 0.5452081 0.6336018 0.6336018 0.6397698 0.6397698 0.6480939 0.6480939 0.7249440 0.7249440 0.7372589 0.7372589 0.7380397 0.7380397 0.7588839 0.7588839 0.9500019 0.9500019 1.0122529 1.0122529 1.2200687 1.2200687 1.2718844 1.2718844 1.3878897 1.3878897 1.4789112 1.4789112 1.6697473 1.6697473 1.7788995 1.7788995 1.9537827 1.9537827 2.2336071 2.2336071 2.2648129 2.2648129 2.2980710 2.2980710 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.260 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.22222 0.00000 176 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9135231 -2.9135231 -1.4128583 -1.4128583 -0.6168458 -0.6168458 -0.5723245 -0.5723245 -0.2872305 -0.2872305 0.4555041 0.4555041 0.5077233 0.5077233 0.5672293 0.5672293 0.6288393 0.6288393 0.6399798 0.6399798 0.6443173 0.6443173 0.7151874 0.7151874 0.7351531 0.7351531 0.7395581 0.7395581 0.7722469 0.7722469 0.8386623 0.8386623 1.1488151 1.1488151 1.1975697 1.1975697 1.3106021 1.3106021 1.3354142 1.3354142 1.4282828 1.4282828 1.5324439 1.5324439 1.8340481 1.8340481 1.9503489 1.9503489 2.2341200 2.2341200 2.2485201 2.2485201 2.3212432 2.3212432 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.280 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.27778 -0.05556 177 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9133911 -2.9133911 -1.4133206 -1.4133206 -0.6154961 -0.6154961 -0.5798821 -0.5798821 -0.2786962 -0.2786962 0.4442883 0.4442883 0.5010447 0.5010447 0.5717814 0.5717814 0.6326671 0.6326671 0.6387111 0.6387111 0.6468554 0.6468554 0.7169064 0.7169064 0.7349544 0.7349544 0.7386161 0.7386161 0.7678938 0.7678938 0.8522109 0.8522109 1.1320266 1.1320266 1.1932309 1.1932309 1.3342155 1.3342155 1.3481026 1.3481026 1.4077619 1.4077619 1.5780985 1.5780985 1.8192857 1.8192857 1.9532609 1.9532609 2.2097595 2.2097595 2.2248456 2.2248456 2.3496922 2.3496922 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.300 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.33333 -0.11111 178 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9133825 -2.9133825 -1.4134908 -1.4134908 -0.6167300 -0.6167300 -0.5831659 -0.5831659 -0.2655116 -0.2655116 0.4276932 0.4276932 0.4924698 0.4924698 0.5671911 0.5671911 0.6340841 0.6340841 0.6385716 0.6385716 0.6490116 0.6490116 0.7202880 0.7202880 0.7350271 0.7350271 0.7380489 0.7380489 0.7640832 0.7640832 0.8738660 0.8738660 1.0891821 1.0891821 1.2164950 1.2164950 1.3221835 1.3221835 1.3536886 1.3536886 1.4238495 1.4238495 1.6281354 1.6281354 1.8014246 1.8014246 1.9519538 1.9519538 2.1998943 2.1998943 2.2309092 2.2309092 2.3422375 2.3422375 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.330 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.22222 0.00000 179 MATRIX SIZE= 102 WEIGHT=12.00 EIGENVALUES ARE: -2.9133502 -2.9133502 -1.4133585 -1.4133585 -0.6151154 -0.6151154 -0.5760708 -0.5760708 -0.2927048 -0.2927048 0.4594750 0.4594750 0.5106136 0.5106136 0.5801236 0.5801236 0.6303797 0.6303797 0.6380404 0.6380404 0.6446162 0.6446162 0.7139243 0.7139243 0.7352756 0.7352756 0.7392494 0.7392494 0.7722566 0.7722566 0.8381341 0.8381341 1.1713403 1.1713403 1.1830807 1.1830807 1.3137118 1.3137118 1.3472430 1.3472430 1.4064447 1.4064447 1.5386033 1.5386033 1.8313405 1.8313405 1.9582160 1.9582160 2.2062239 2.2062239 2.2138604 2.2138604 2.3557693 2.3557693 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.350 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.66667 0.33333 0.00000 180 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9145552 -2.9145552 -1.4101612 -1.4101612 -0.6261466 -0.6261466 -0.5552765 -0.5552765 -0.2347095 -0.2347095 0.3893407 0.3893407 0.4645472 0.4645472 0.5204224 0.5204224 0.6297643 0.6297643 0.6395922 0.6395922 0.6526419 0.6526419 0.7231591 0.7231591 0.7382234 0.7382234 0.7427318 0.7427318 0.7654376 0.7654376 0.8909899 0.8909899 1.0792729 1.0792729 1.1659438 1.1659438 1.2134664 1.2134664 1.3692334 1.3692334 1.4971793 1.4971793 1.5680431 1.5680431 1.8671810 1.8671810 2.0027331 2.0027331 2.1980773 2.1980773 2.3372007 2.3372007 2.3929142 2.3929142 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.370 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.72222 0.38889 -0.05556 181 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9141152 -2.9141152 -1.4115443 -1.4115443 -0.6284956 -0.6284956 -0.5626277 -0.5626277 -0.2338886 -0.2338886 0.3893366 0.3893366 0.4669616 0.4669616 0.5267931 0.5267931 0.6322398 0.6322398 0.6393252 0.6393252 0.6491068 0.6491068 0.7242039 0.7242039 0.7372549 0.7372549 0.7402592 0.7402592 0.7618205 0.7618205 0.9137256 0.9137256 1.0623994 1.0623994 1.1856612 1.1856612 1.2433422 1.2433422 1.4139198 1.4139198 1.4913181 1.4913181 1.5649823 1.5649823 1.8306616 1.8306616 1.9756375 1.9756375 2.2557019 2.2557019 2.2982914 2.2982914 2.3432389 2.3432389 2.4910852 2.4910852 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.400 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.44444 -0.11111 182 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9138272 -2.9138272 -1.4124516 -1.4124516 -0.6296854 -0.6296854 -0.5678155 -0.5678155 -0.2332534 -0.2332534 0.3878065 0.3878065 0.4705600 0.4705600 0.5305830 0.5305830 0.6333936 0.6333936 0.6394475 0.6394475 0.6475916 0.6475916 0.7248219 0.7248219 0.7369495 0.7369495 0.7391010 0.7391010 0.7595016 0.7595016 0.9430955 0.9430955 1.0236044 1.0236044 1.2194126 1.2194126 1.2701568 1.2701568 1.4082177 1.4082177 1.4789063 1.4789063 1.6018844 1.6018844 1.8107170 1.8107170 1.9456425 1.9456425 2.2507940 2.2507940 2.2891508 2.2891508 2.3177348 2.3177348 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.420 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.50000 -0.16667 183 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9137271 -2.9137271 -1.4127802 -1.4127802 -0.6300271 -0.6300271 -0.5696974 -0.5696974 -0.2330179 -0.2330179 0.3870146 0.3870146 0.4721678 0.4721678 0.5318333 0.5318333 0.6337640 0.6337640 0.6392373 0.6392373 0.6474489 0.6474489 0.7249844 0.7249844 0.7369104 0.7369104 0.7388452 0.7388452 0.7587009 0.7587009 0.9766812 0.9766812 0.9847194 0.9847194 1.2375788 1.2375788 1.2834300 1.2834300 1.3873058 1.3873058 1.4854357 1.4854357 1.6144633 1.6144633 1.8128733 1.8128733 1.9256981 1.9256981 2.2437802 2.2437802 2.2822765 2.2822765 2.3106061 2.3106061 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.440 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.77778 0.33333 0.00000 184 MATRIX SIZE= 108 WEIGHT=24.00 EIGENVALUES ARE: -2.9139058 -2.9139058 -1.4120842 -1.4120842 -0.6232322 -0.6232322 -0.5684232 -0.5684232 -0.2520006 -0.2520006 0.4143085 0.4143085 0.4811803 0.4811803 0.5388775 0.5388775 0.6313208 0.6313208 0.6398881 0.6398881 0.6487182 0.6487182 0.7223602 0.7223602 0.7358762 0.7358762 0.7391409 0.7391409 0.7646857 0.7646857 0.8799722 0.8799722 1.0887393 1.0887393 1.1849792 1.1849792 1.2822018 1.2822018 1.3800929 1.3800929 1.4682614 1.4682614 1.5662642 1.5662642 1.8274333 1.8274333 1.9584819 1.9584819 2.2615013 2.2615013 2.2955951 2.2955951 2.3161447 2.3161447 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.460 Seclr4(Transform to eigenwertproblem) : 0.010 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.38889 -0.05556 185 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9136342 -2.9136342 -1.4129249 -1.4129249 -0.6221704 -0.6221704 -0.5763807 -0.5763807 -0.2499652 -0.2499652 0.4092132 0.4092132 0.4828247 0.4828247 0.5483293 0.5483293 0.6329274 0.6329274 0.6396435 0.6396435 0.6487007 0.6487007 0.7236473 0.7236473 0.7352882 0.7352882 0.7380741 0.7380741 0.7617744 0.7617744 0.9037377 0.9037377 1.0522974 1.0522974 1.2059659 1.2059659 1.3046301 1.3046301 1.3845463 1.3845463 1.4557819 1.4557819 1.6098611 1.6098611 1.8038395 1.8038395 1.9479403 1.9479403 2.2443425 2.2443425 2.2780115 2.2780115 2.3111457 2.3111457 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.490 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.88889 0.44444 -0.11111 186 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9135147 -2.9135147 -1.4133075 -1.4133075 -0.6216784 -0.6216784 -0.5806216 -0.5806216 -0.2465359 -0.2465359 0.4030135 0.4030135 0.4824547 0.4824547 0.5522482 0.5522482 0.6336309 0.6336309 0.6391293 0.6391293 0.6495752 0.6495752 0.7247361 0.7247361 0.7352398 0.7352398 0.7377754 0.7377754 0.7599222 0.7599222 0.9351551 0.9351551 1.0096196 1.0096196 1.2284302 1.2284302 1.3115586 1.3115586 1.3619009 1.3619009 1.4743117 1.4743117 1.6406003 1.6406003 1.7932761 1.7932761 1.9394847 1.9394847 2.2275561 2.2275561 2.2676174 2.2676174 2.3034648 2.3034648 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.510 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.94444 0.50000 -0.16667 187 MATRIX SIZE= 106 WEIGHT=48.00 EIGENVALUES ARE: -2.9135622 -2.9135622 -1.4131726 -1.4131726 -0.6232209 -0.6232209 -0.5790036 -0.5790036 -0.2424371 -0.2424371 0.3977023 0.3977023 0.4790546 0.4790546 0.5495288 0.5495288 0.6335016 0.6335016 0.6393640 0.6393640 0.6493117 0.6493117 0.7253231 0.7253231 0.7357870 0.7357870 0.7377144 0.7377144 0.7592395 0.7592395 0.9687131 0.9687131 0.9778123 0.9778123 1.2239582 1.2239582 1.3012406 1.3012406 1.3698863 1.3698863 1.4826791 1.4826791 1.6511110 1.6511110 1.7850012 1.7850012 1.9447343 1.9447343 2.2337832 2.2337832 2.2750774 2.2750774 2.2928885 2.2928885 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.530 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.55556 -0.22222 188 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9137710 -2.9137710 -1.4125665 -1.4125665 -0.6260891 -0.6260891 -0.5722076 -0.5722076 -0.2381535 -0.2381535 0.3935369 0.3935369 0.4732151 0.4732151 0.5405048 0.5405048 0.6329975 0.6329975 0.6397330 0.6397330 0.6485078 0.6485078 0.7251040 0.7251040 0.7368711 0.7368711 0.7380347 0.7380347 0.7598750 0.7598750 0.9390894 0.9390894 1.0212066 1.0212066 1.2020409 1.2020409 1.2745978 1.2745978 1.4056540 1.4056540 1.4774841 1.4774841 1.6205371 1.6205371 1.8000874 1.8000874 1.9581434 1.9581434 2.2613748 2.2613748 2.2830559 2.2830559 2.3003363 2.3003363 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.550 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.33333 0.00000 189 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9134828 -2.9134828 -1.4131350 -1.4131350 -0.6167171 -0.6167171 -0.5809329 -0.5809329 -0.2658054 -0.2658054 0.4288984 0.4288984 0.4933535 0.4933535 0.5624823 0.5624823 0.6326251 0.6326251 0.6394035 0.6394035 0.6484992 0.6484992 0.7203387 0.7203387 0.7345434 0.7345434 0.7383043 0.7383043 0.7645284 0.7645284 0.8739523 0.8739523 1.0891899 1.0891899 1.1953868 1.1953868 1.3324642 1.3324642 1.3647138 1.3647138 1.4289390 1.4289390 1.5964738 1.5964738 1.8074748 1.8074748 1.9498391 1.9498391 2.2261920 2.2261920 2.2480853 2.2480853 2.3324318 2.3324318 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.580 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.38889 -0.05556 190 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.9133789 -2.9133789 -1.4136035 -1.4136035 -0.6139234 -0.6139234 -0.5883100 -0.5883100 -0.2596718 -0.2596718 0.4189221 0.4189221 0.4911107 0.4911107 0.5669071 0.5669071 0.6335766 0.6335766 0.6387754 0.6387754 0.6507403 0.6507403 0.7224271 0.7224271 0.7340679 0.7340679 0.7379665 0.7379665 0.7619317 0.7619317 0.8989073 0.8989073 1.0460327 1.0460327 1.2116117 1.2116117 1.3367281 1.3367281 1.3535508 1.3535508 1.4509299 1.4509299 1.6336645 1.6336645 1.7896503 1.7896503 1.9507776 1.9507776 2.2057769 2.2057769 2.2422111 2.2422111 2.3289922 2.3289922 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.600 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.44444 -0.11111 191 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9134064 -2.9134064 -1.4135516 -1.4135516 -0.6164702 -0.6164702 -0.5874222 -0.5874222 -0.2515021 -0.2515021 0.4080975 0.4080975 0.4863316 0.4863316 0.5623944 0.5623944 0.6337096 0.6337096 0.6388845 0.6388845 0.6509789 0.6509789 0.7245302 0.7245302 0.7342686 0.7342686 0.7378154 0.7378154 0.7601314 0.7601314 0.9325068 0.9325068 1.0055580 1.0055580 1.2237413 1.2237413 1.3295165 1.3295165 1.3449520 1.3449520 1.4735489 1.4735489 1.6617829 1.6617829 1.7750963 1.7750963 1.9489933 1.9489933 2.2079464 2.2079464 2.2575984 2.2575984 2.3060636 2.3060636 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.620 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.33333 0.00000 192 MATRIX SIZE= 104 WEIGHT=12.00 EIGENVALUES ARE: -2.9133362 -2.9133362 -1.4136523 -1.4136523 -0.6121238 -0.6121238 -0.5875254 -0.5875254 -0.2709804 -0.2709804 0.4333859 0.4333859 0.4972220 0.4972220 0.5737046 0.5737046 0.6334224 0.6334224 0.6384421 0.6384421 0.6496780 0.6496780 0.7191411 0.7191411 0.7343565 0.7343565 0.7382413 0.7382413 0.7645406 0.7645406 0.8720857 0.8720857 1.0886289 1.0886289 1.1977560 1.1977560 1.3423819 1.3423819 1.3583112 1.3583112 1.4226261 1.4226261 1.6055962 1.6055962 1.8030021 1.8030021 1.9559342 1.9559342 2.2016480 2.2016480 2.2201944 2.2201944 2.3497997 2.3497997 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.640 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.88889 0.44444 0.00000 193 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.9134413 -2.9134413 -1.4134762 -1.4134762 -0.6164676 -0.6164676 -0.5866821 -0.5866821 -0.2515603 -0.2515603 0.4084057 0.4084057 0.4866286 0.4866286 0.5607993 0.5607993 0.6333769 0.6333769 0.6390937 0.6390937 0.6508112 0.6508112 0.7246610 0.7246610 0.7339556 0.7339556 0.7378293 0.7378293 0.7603357 0.7603357 0.9312269 0.9312269 1.0072703 1.0072703 1.2142973 1.2142973 1.3313585 1.3313585 1.3550814 1.3550814 1.4723835 1.4723835 1.6466230 1.6466230 1.7800787 1.7800787 1.9485150 1.9485150 2.2154607 2.2154607 2.2685754 2.2685754 2.3045189 2.3045189 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.660 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.94444 0.50000 -0.05556 194 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.9133741 -2.9133741 -1.4136527 -1.4136527 -0.6128965 -0.6128965 -0.5918967 -0.5918967 -0.2520250 -0.2520250 0.4078980 0.4078980 0.4881041 0.4881041 0.5652331 0.5652331 0.6335722 0.6335722 0.6388018 0.6388018 0.6519006 0.6519006 0.7250736 0.7250736 0.7333886 0.7333886 0.7378528 0.7378528 0.7598796 0.7598796 0.9624221 0.9624221 0.9690061 0.9690061 1.2201945 1.2201945 1.3363803 1.3363803 1.3465049 1.3465049 1.4802351 1.4802351 1.6573661 1.6573661 1.7733498 1.7733498 1.9486515 1.9486515 2.2026027 2.2026027 2.2779644 2.2779644 2.2891167 2.2891167 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.680 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.44444 0.00000 195 MATRIX SIZE= 104 WEIGHT=12.00 EIGENVALUES ARE: -2.9133270 -2.9133270 -1.4137631 -1.4137631 -0.6072066 -0.6072066 -0.5975469 -0.5975469 -0.2565762 -0.2565762 0.4133466 0.4133466 0.4910858 0.4910858 0.5703351 0.5703351 0.6335685 0.6335685 0.6386552 0.6386552 0.6524825 0.6524825 0.7240495 0.7240495 0.7331050 0.7331050 0.7379449 0.7379449 0.7605604 0.7605604 0.9286222 0.9286222 1.0031475 1.0031475 1.2137264 1.2137264 1.3345468 1.3345468 1.3568364 1.3568364 1.4716287 1.4716287 1.6495134 1.6495134 1.7757093 1.7757093 1.9525012 1.9525012 2.1940957 2.1940957 2.2579194 2.2579194 2.3103610 2.3103610 0 EIGENVALUES BELOW THE ENERGY ******************************************************** TOTAL NUMBER OF K-POINTS: 195 TOTAL TIME: 4.70000000000000 read: 4.999999999999982E-002 alm: 1.05000000000000 hmsec: 3.35000000000000 write: 0.159999999999999