*********** 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 220 3 ATOMIC PARAMETERS FOR 1 SPIN=1 ENERGY PARAMETERS ARE 0.30 -0.48 0.41 0.41 0.30 0.30 0.30 for lo: 0.30 -0.48 0.41 0.42 -2.48 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 0.5321527541E+00 0.5856539703E+00 0.8060388969E-01 -0.2486844663E+00 0.6794725951E-01 1 0.2451808305E+00 -0.3960492958E+00 -0.2246232137E+00 -0.3695140060E+00 0.6924272683E-01 2 -0.5314209482E+00 0.1464965857E-02 0.1091440301E+00 0.3375935687E+00 0.1536352224E-01 3 -0.3370804788E+00 0.2274763608E-02 0.3537130506E+00 0.5303769404E+00 0.2215294806E+00 4 0.8088406195E+00 0.1048055872E+01 -0.5438349706E-01 -0.2924499711E+00 0.3597488718E-02 LO COEFFICIENT: l,A,B,C 0 0.50241 -3.31698 0.00000 LO COEFFICIENT: l,A,B,C 0 0.27657 0.00000 0.83349 LO COEFFICIENT: l,A,B,C 1 0.96114 1.04910 0.00000 LO COEFFICIENT: l,A,B,C 1 0.30748 0.00000 -1.29762 LO COEFFICIENT: l,A,B,C 2 0.85616 4.16865 0.00000 LO COEFFICIENT: l,A,B,C 3 0.91242 0.86952 0.00000 -4.97000000000000 relativistic lo: 1 -1.08250000000008 0.245180830523509 RLO COEFFICIENT: l,A,B,C 1 4.18830 0.00000 -4.85915 ATOMIC PARAMETERS FOR 2 SPIN=1 ENERGY PARAMETERS ARE -0.62 0.30 0.30 0.30 0.30 0.30 0.30 for lo: -0.62 0.30 999.00 999.00 0.30 997.00 999.00 999.00 999.00 999.00 999.00 999.00 L U(R) U'(R) DU/DE DU'/DE NORM-U' 0 -0.2263576418E+00 0.2701502430E+00 0.4222904296E+00 0.5073792147E+00 0.2257875068E+00 1 0.3395227278E+00 -0.1827375716E+00 -0.3721185327E+00 -0.4740293051E+00 0.1969485576E+00 2 0.8202971912E+00 0.6477994733E+00 -0.7447969942E-01 -0.3379025575E+00 0.5275359356E-02 3 0.9653996255E+00 0.1286588853E+01 -0.4781885036E-01 -0.3008607608E+00 0.1709736115E-02 4 0.1080306319E+01 0.1986176788E+01 -0.3521367947E-01 -0.2766457694E+00 0.7824853073E-03 LO COEFFICIENT: l,A,B,C 0 0.96906 0.51944 0.00000 LO COEFFICIENT: l,A,B,C 0 0.47190 0.00000 0.55849 LO COEFFICIENT: l,A,B,C 1 0.92690 0.84571 0.00000 Seclr4(Cholesky complete) : 0.170 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.00000 0.00000 0.00000 1 MATRIX SIZE= 138 WEIGHT= 1.00 EIGENVALUES ARE: -2.4367591 -2.4367591 -1.1068101 -1.1068101 -0.6316380 -0.6316380 -0.5331422 -0.5331422 -0.4320456 -0.4320456 -0.4320456 -0.4320456 0.3024116 0.3024116 0.3024116 0.3024116 0.3091177 0.3091177 0.5293797 0.5293797 0.5357431 0.5357431 0.5357431 0.5357431 0.8261523 0.8261523 0.8458784 0.8458784 0.8458784 0.8458784 0.9078426 0.9078426 0.9252200 0.9252200 0.9252200 0.9252200 0.9380625 0.9380625 1.0124693 1.0124693 1.0281605 1.0281605 1.0281605 1.0281605 1.5454052 1.5454052 1.5454052 1.5454052 1.5824657 1.5824657 1.6788324 1.6788324 1.7995768 1.7995768 1.7995768 1.7995768 2.1596758 2.1596758 2.4912577 2.4912577 2.4912577 2.4912577 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.200 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.10000 0.10000 -0.10000 2 MATRIX SIZE= 138 WEIGHT= 8.00 EIGENVALUES ARE: -2.4361899 -2.4361899 -1.1094186 -1.1094186 -0.6417542 -0.6417542 -0.5381693 -0.5381693 -0.4342969 -0.4342969 -0.4179211 -0.4179211 0.3094459 0.3094459 0.3115890 0.3115890 0.3244092 0.3244092 0.5223868 0.5223868 0.5306484 0.5306484 0.5340699 0.5340699 0.8253814 0.8253814 0.8417885 0.8417885 0.8441061 0.8441061 0.9078935 0.9078935 0.9162356 0.9162356 0.9169838 0.9169838 0.9310142 0.9310142 1.0396656 1.0396656 1.0439823 1.0439823 1.0444911 1.0444911 1.5200512 1.5200512 1.5355643 1.5355643 1.5683550 1.5683550 1.6813756 1.6813756 1.7772726 1.7772726 1.8178647 1.8178647 2.2218961 2.2218961 2.4557874 2.4557874 2.4630501 2.4630501 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.220 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= 0.20000 0.20000 -0.20000 3 MATRIX SIZE= 142 WEIGHT= 8.00 EIGENVALUES ARE: -2.4346960 -2.4346960 -1.1162368 -1.1162368 -0.6622839 -0.6622839 -0.5544338 -0.5544338 -0.4400905 -0.4400905 -0.3821304 -0.3821304 0.3271797 0.3271797 0.3289499 0.3289499 0.3698340 0.3698340 0.5033434 0.5033434 0.5233993 0.5233993 0.5308266 0.5308266 0.8196671 0.8196671 0.8357203 0.8357203 0.8381801 0.8381801 0.8941724 0.8941724 0.9051437 0.9051437 0.9104752 0.9104752 0.9261525 0.9261525 1.0635900 1.0635900 1.0732422 1.0732422 1.1079841 1.1079841 1.4681069 1.4681069 1.5099013 1.5099013 1.5393148 1.5393148 1.6381885 1.6381885 1.8006435 1.8006435 1.8721248 1.8721248 2.3322005 2.3322005 2.3698791 2.3698791 2.3762846 2.3762846 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.250 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.020 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.030 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.30000 0.30000 -0.30000 4 MATRIX SIZE= 144 WEIGHT= 8.00 EIGENVALUES ARE: -2.4328368 -2.4328368 -1.1246099 -1.1246099 -0.6811365 -0.6811365 -0.5753677 -0.5753677 -0.4469419 -0.4469419 -0.3405584 -0.3405584 0.3470506 0.3470506 0.3500232 0.3500232 0.4217819 0.4217819 0.4872076 0.4872076 0.5194227 0.5194227 0.5303528 0.5303528 0.8049220 0.8049220 0.8313645 0.8313645 0.8345742 0.8345742 0.8660397 0.8660397 0.9026503 0.9026503 0.9122285 0.9122285 0.9310109 0.9310109 1.0770367 1.0770367 1.0923886 1.0923886 1.1730940 1.1730940 1.4267191 1.4267191 1.4786148 1.4786148 1.5086970 1.5086970 1.5787668 1.5787668 1.8829071 1.8829071 1.9595698 1.9595698 2.2919042 2.2919042 2.2970683 2.2970683 2.3718548 2.3718548 2.4862008 2.4862008 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.280 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.020 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.030 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.40000 0.40000 -0.40000 5 MATRIX SIZE= 142 WEIGHT= 8.00 EIGENVALUES ARE: -2.4313232 -2.4313232 -1.1313275 -1.1313275 -0.6932854 -0.6932854 -0.5917701 -0.5917701 -0.4522873 -0.4522873 -0.3081866 -0.3081866 0.3606605 0.3606605 0.3670422 0.3670422 0.4546450 0.4546450 0.4795918 0.4795918 0.5246932 0.5246932 0.5338116 0.5338116 0.7862888 0.7862888 0.8284593 0.8284593 0.8352040 0.8352040 0.8502809 0.8502809 0.9064243 0.9064243 0.9154172 0.9154172 0.9407527 0.9407527 1.0787906 1.0787906 1.0970764 1.0970764 1.2234574 1.2234574 1.3696126 1.3696126 1.4541336 1.4541336 1.4860221 1.4860221 1.5837245 1.5837245 1.9846053 1.9846053 2.0636804 2.0636804 2.2432659 2.2432659 2.2566404 2.2566404 2.2566686 2.2566686 2.4399597 2.4399597 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.320 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.50000 0.50000 -0.50000 6 MATRIX SIZE= 140 WEIGHT= 4.00 EIGENVALUES ARE: -2.4307355 -2.4307355 -1.1338702 -1.1338702 -0.6974230 -0.6974230 -0.5978539 -0.5978539 -0.4543545 -0.4543545 -0.2960852 -0.2960852 0.3651161 0.3651161 0.3734675 0.3734675 0.4656976 0.4656976 0.4757626 0.4757626 0.5299244 0.5299244 0.5364250 0.5364250 0.7774065 0.7774065 0.8273391 0.8273391 0.8355642 0.8355642 0.8467713 0.8467713 0.9100589 0.9100589 0.9183164 0.9183164 0.9477352 0.9477352 1.0773803 1.0773803 1.0961583 1.0961583 1.2634413 1.2634413 1.3143193 1.3143193 1.4453551 1.4453551 1.4784257 1.4784257 1.6086094 1.6086094 2.0379871 2.0379871 2.1176925 2.1176925 2.1904005 2.1904005 2.2587580 2.2587580 2.2640264 2.2640264 2.3455044 2.3455044 2.4371968 2.4371968 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= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.20000 0.00000 0.00000 7 MATRIX SIZE= 140 WEIGHT= 6.00 EIGENVALUES ARE: -2.4360002 -2.4360002 -1.1102769 -1.1102769 -0.6451239 -0.6451239 -0.5387281 -0.5387281 -0.4378779 -0.4378779 -0.4115623 -0.4115623 0.3121797 0.3121797 0.3186480 0.3186480 0.3258612 0.3258612 0.5011460 0.5011460 0.5379354 0.5379354 0.5437276 0.5437276 0.8252105 0.8252105 0.8397536 0.8397536 0.8444768 0.8444768 0.9081696 0.9081696 0.9086307 0.9086307 0.9208640 0.9208640 0.9292265 0.9292265 1.0417642 1.0417642 1.0451788 1.0451788 1.0565125 1.0565125 1.5224376 1.5224376 1.5226281 1.5226281 1.5619409 1.5619409 1.6872054 1.6872054 1.7806530 1.7806530 1.8089801 1.8089801 2.2421432 2.2421432 2.4187577 2.4187577 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.380 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= 0.30000 0.10000 -0.10000 8 MATRIX SIZE= 140 WEIGHT=24.00 EIGENVALUES ARE: -2.4348123 -2.4348123 -1.1156319 -1.1156319 -0.6617191 -0.6617191 -0.5509854 -0.5509854 -0.4403703 -0.4403703 -0.3858522 -0.3858522 0.3267495 0.3267495 0.3349756 0.3349756 0.3614515 0.3614515 0.4718317 0.4718317 0.5390312 0.5390312 0.5479757 0.5479757 0.8212375 0.8212375 0.8331923 0.8331923 0.8419312 0.8419312 0.8975360 0.8975360 0.9043431 0.9043431 0.9133670 0.9133670 0.9219749 0.9219749 1.0623771 1.0623771 1.0690389 1.0690389 1.1040812 1.1040812 1.4761333 1.4761333 1.5034478 1.5034478 1.5369842 1.5369842 1.6743806 1.6743806 1.7844001 1.7844001 1.8453626 1.8453626 2.3177548 2.3177548 2.3401582 2.3401582 2.4596851 2.4596851 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.410 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.40000 0.20000 -0.20000 9 MATRIX SIZE= 138 WEIGHT=24.00 EIGENVALUES ARE: -2.4330682 -2.4330682 -1.1233290 -1.1233290 -0.6799962 -0.6799962 -0.5730342 -0.5730342 -0.4400161 -0.4400161 -0.3513494 -0.3513494 0.3468374 0.3468374 0.3560302 0.3560302 0.4117785 0.4117785 0.4521461 0.4521461 0.5351298 0.5351298 0.5485389 0.5485389 0.8114502 0.8114502 0.8305088 0.8305088 0.8383020 0.8383020 0.8772369 0.8772369 0.8973038 0.8973038 0.9116087 0.9116087 0.9263061 0.9263061 1.0749112 1.0749112 1.0907502 1.0907502 1.1723523 1.1723523 1.4259359 1.4259359 1.4776529 1.4776529 1.5109302 1.5109302 1.6223467 1.6223467 1.8443569 1.8443569 1.9247638 1.9247638 2.2670485 2.2670485 2.2945053 2.2945053 2.4133670 2.4133670 2.4900492 2.4900492 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.440 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.50000 0.30000 -0.30000 10 MATRIX SIZE= 138 WEIGHT=24.00 EIGENVALUES ARE: -2.4314420 -2.4314420 -1.1304989 -1.1304989 -0.6935327 -0.6935327 -0.5934991 -0.5934991 -0.4404467 -0.4404467 -0.3195191 -0.3195191 0.3633521 0.3633521 0.3744134 0.3744134 0.4349212 0.4349212 0.4640431 0.4640431 0.5334274 0.5334274 0.5487278 0.5487278 0.7929644 0.7929644 0.8276841 0.8276841 0.8350824 0.8350824 0.8551269 0.8551269 0.8974791 0.8974791 0.9122560 0.9122560 0.9366653 0.9366653 1.0783783 1.0783783 1.0994165 1.0994165 1.2266895 1.2266895 1.3816105 1.3816105 1.4580246 1.4580246 1.4908746 1.4908746 1.5941826 1.5941826 1.9376025 1.9376025 2.0343376 2.0343376 2.2216346 2.2216346 2.2300085 2.2300085 2.2931391 2.2931391 2.4141689 2.4141689 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.470 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.60000 0.40000 -0.40000 11 MATRIX SIZE= 140 WEIGHT=24.00 EIGENVALUES ARE: -2.4305554 -2.4305554 -1.1343974 -1.1343974 -0.6999574 -0.6999574 -0.6044983 -0.6044983 -0.4405885 -0.4405885 -0.3024532 -0.3024532 0.3713246 0.3713246 0.3836176 0.3836176 0.4400003 0.4400003 0.4773975 0.4773975 0.5328170 0.5328170 0.5524631 0.5524631 0.7790922 0.7790922 0.8265187 0.8265187 0.8348799 0.8348799 0.8478212 0.8478212 0.8998180 0.8998180 0.9121368 0.9121368 0.9438912 0.9438912 1.0774241 1.0774241 1.1014071 1.1014071 1.2603762 1.2603762 1.3403110 1.3403110 1.4456231 1.4456231 1.4742508 1.4742508 1.6157696 1.6157696 2.0223984 2.0223984 2.1063041 2.1063041 2.1777102 2.1777102 2.2378922 2.2378922 2.2569538 2.2569538 2.2933907 2.2933907 2.4228629 2.4228629 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.500 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.70000 0.50000 -0.50000 12 MATRIX SIZE= 138 WEIGHT=24.00 EIGENVALUES ARE: -2.4307404 -2.4307404 -1.1335169 -1.1335169 -0.6985179 -0.6985179 -0.6029244 -0.6029244 -0.4389261 -0.4389261 -0.3070190 -0.3070190 0.3707177 0.3707177 0.3806453 0.3806453 0.4445669 0.4445669 0.4726425 0.4726425 0.5214556 0.5214556 0.5593794 0.5593794 0.7830593 0.7830593 0.8263658 0.8263658 0.8360669 0.8360669 0.8491616 0.8491616 0.8996258 0.8996258 0.9115920 0.9115920 0.9421031 0.9421031 1.0742767 1.0742767 1.1041808 1.1041808 1.2520284 1.2520284 1.3535512 1.3535512 1.4500791 1.4500791 1.4772475 1.4772475 1.6078491 1.6078491 1.9886036 1.9886036 2.1017601 2.1017601 2.1841231 2.1841231 2.2432655 2.2432655 2.2620570 2.2620570 2.3481005 2.3481005 2.4049722 2.4049722 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.520 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.020 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.030 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.80000 0.60000 -0.60000 13 MATRIX SIZE= 140 WEIGHT=24.00 EIGENVALUES ARE: -2.4319467 -2.4319467 -1.1283042 -1.1283042 -0.6893360 -0.6893360 -0.5894161 -0.5894161 -0.4359816 -0.4359816 -0.3318061 -0.3318061 0.3602140 0.3602140 0.3658162 0.3658162 0.4388909 0.4388909 0.4624426 0.4624426 0.5079697 0.5079697 0.5612394 0.5612394 0.7990422 0.7990422 0.8267977 0.8267977 0.8372321 0.8372321 0.8603628 0.8603628 0.8968935 0.8968935 0.9102478 0.9102478 0.9324643 0.9324643 1.0715939 1.0715939 1.1028981 1.1028981 1.2119797 1.2119797 1.3966839 1.3966839 1.4698837 1.4698837 1.4977959 1.4977959 1.5941827 1.5941827 1.8861408 1.8861408 2.0173344 2.0173344 2.2089271 2.2089271 2.2805645 2.2805645 2.3499240 2.3499240 2.4388166 2.4388166 2.4938365 2.4938365 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.560 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.90000 0.70000 -0.70000 14 MATRIX SIZE= 142 WEIGHT=24.00 EIGENVALUES ARE: -2.4336891 -2.4336891 -1.1206022 -1.1206022 -0.6735295 -0.6735295 -0.5681314 -0.5681314 -0.4337929 -0.4337929 -0.3672690 -0.3672690 0.3396296 0.3396296 0.3460575 0.3460575 0.3959979 0.3959979 0.4760272 0.4760272 0.5086226 0.5086226 0.5579087 0.5579087 0.8152528 0.8152528 0.8303990 0.8303990 0.8400038 0.8400038 0.8857233 0.8857233 0.8993601 0.8993601 0.9091789 0.9091789 0.9241241 0.9241241 1.0670086 1.0670086 1.0893615 1.0893615 1.1498071 1.1498071 1.4404692 1.4404692 1.4884710 1.4884710 1.5238018 1.5238018 1.6380784 1.6380784 1.8033201 1.8033201 1.9140767 1.9140767 2.2582002 2.2582002 2.3647700 2.3647700 2.4356149 2.4356149 2.4634406 2.4634406 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.590 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.80000 -0.80000 15 MATRIX SIZE= 142 WEIGHT=12.00 EIGENVALUES ARE: -2.4353131 -2.4353131 -1.1134135 -1.1134135 -0.6547971 -0.6547971 -0.5477307 -0.5477307 -0.4345818 -0.4345818 -0.3995256 -0.3995256 0.3195392 0.3195392 0.3256054 0.3256054 0.3489828 0.3489828 0.5009891 0.5009891 0.5191004 0.5191004 0.5484004 0.5484004 0.8231203 0.8231203 0.8355439 0.8355439 0.8426866 0.8426866 0.9031115 0.9031115 0.9082980 0.9082980 0.9108560 0.9108560 0.9246868 0.9246868 1.0541383 1.0541383 1.0641880 1.0641880 1.0829201 1.0829201 1.4903074 1.4903074 1.5141611 1.5141611 1.5503075 1.5503075 1.6769341 1.6769341 1.7710807 1.7710807 1.8436559 1.8436559 2.2822819 2.2822819 2.3972378 2.3972378 2.4620442 2.4620442 2.4740384 2.4740384 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.620 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= 0.40000 0.00000 0.00000 16 MATRIX SIZE= 140 WEIGHT= 6.00 EIGENVALUES ARE: -2.4340037 -2.4340037 -1.1191651 -1.1191651 -0.6726818 -0.6726818 -0.5526498 -0.5526498 -0.4524788 -0.4524788 -0.3647513 -0.3647513 0.3399924 0.3399924 0.3575140 0.3575140 0.3774211 0.3774211 0.4284293 0.4284293 0.5513583 0.5513583 0.5629812 0.5629812 0.8180043 0.8180043 0.8280012 0.8280012 0.8428387 0.8428387 0.8900194 0.8900194 0.9045442 0.9045442 0.9119399 0.9119399 0.9187589 0.9187589 1.0583001 1.0583001 1.0864547 1.0864547 1.1407014 1.1407014 1.4557811 1.4557811 1.4777486 1.4777486 1.5156960 1.5156960 1.7077403 1.7077403 1.7900058 1.7900058 1.8303744 1.8303744 2.2718589 2.2718589 2.3406567 2.3406567 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.650 Seclr4(Transform to eigenwertproblem) : 0.010 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.030 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.10000 -0.10000 17 MATRIX SIZE= 138 WEIGHT=24.00 EIGENVALUES ARE: -2.4325808 -2.4325808 -1.1254071 -1.1254071 -0.6873640 -0.6873640 -0.5694996 -0.5694996 -0.4510745 -0.4510745 -0.3390709 -0.3390709 0.3582942 0.3582942 0.3799115 0.3799115 0.3978850 0.3978850 0.4209680 0.4209680 0.5529562 0.5529562 0.5687914 0.5687914 0.8089920 0.8089920 0.8251826 0.8251826 0.8394256 0.8394256 0.8798622 0.8798622 0.8940539 0.8940539 0.9043858 0.9043858 0.9231732 0.9231732 1.0566624 1.0566624 1.1093611 1.1093611 1.2051390 1.2051390 1.4021779 1.4021779 1.4583588 1.4583588 1.4937693 1.4937693 1.6999373 1.6999373 1.8208557 1.8208557 1.8785814 1.8785814 2.2019493 2.2019493 2.2747678 2.2747678 2.4113269 2.4113269 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.680 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= 0.60000 0.20000 -0.20000 18 MATRIX SIZE= 134 WEIGHT=24.00 EIGENVALUES ARE: -2.4310742 -2.4310742 -1.1317971 -1.1317971 -0.6995286 -0.6995286 -0.5942754 -0.5942754 -0.4372903 -0.4372903 -0.3186723 -0.3186723 0.3635296 0.3635296 0.3914670 0.3914670 0.4083536 0.4083536 0.4656511 0.4656511 0.5470040 0.5470040 0.5680321 0.5680321 0.7967388 0.7967388 0.8245094 0.8245094 0.8335933 0.8335933 0.8616035 0.8616035 0.8861125 0.8861125 0.9026318 0.9026318 0.9340701 0.9340701 1.0591207 1.0591207 1.1223374 1.1223374 1.2606807 1.2606807 1.3550654 1.3550654 1.4478008 1.4478008 1.4891225 1.4891225 1.6618614 1.6618614 1.8887871 1.8887871 1.9747344 1.9747344 2.1596859 2.1596859 2.1817411 2.1817411 2.2978421 2.2978421 2.4585920 2.4585920 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.710 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= 0.70000 0.30000 -0.30000 19 MATRIX SIZE= 138 WEIGHT=24.00 EIGENVALUES ARE: -2.4300639 -2.4300639 -1.1359440 -1.1359440 -0.7064741 -0.7064741 -0.6125023 -0.6125023 -0.4230741 -0.4230741 -0.3087009 -0.3087009 0.3672065 0.3672065 0.4037476 0.4037476 0.4199017 0.4199017 0.4894539 0.4894539 0.5359715 0.5359715 0.5702189 0.5702189 0.7843645 0.7843645 0.8238293 0.8238293 0.8310044 0.8310044 0.8506574 0.8506574 0.8842925 0.8842925 0.9004947 0.9004947 0.9440047 0.9440047 1.0633349 1.0633349 1.1262642 1.1262642 1.2689940 1.2689940 1.3417138 1.3417138 1.4438788 1.4438788 1.4982491 1.4982491 1.6470544 1.6470544 1.9696160 1.9696160 2.0491942 2.0491942 2.1389360 2.1389360 2.1660393 2.1660393 2.2064237 2.2064237 2.3262900 2.3262900 2.4833739 2.4833739 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.740 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= 0.80000 0.40000 -0.40000 20 MATRIX SIZE= 138 WEIGHT=24.00 EIGENVALUES ARE: -2.4299418 -2.4299418 -1.1363691 -1.1363691 -0.7069080 -0.7069080 -0.6179301 -0.6179301 -0.4127571 -0.4127571 -0.3134638 -0.3134638 0.3795015 0.3795015 0.4084302 0.4084302 0.4157857 0.4157857 0.4862692 0.4862692 0.5187761 0.5187761 0.5815910 0.5815910 0.7822482 0.7822482 0.8213818 0.8213818 0.8347169 0.8347169 0.8491451 0.8491451 0.8833341 0.8833341 0.8983127 0.8983127 0.9455979 0.9455979 1.0623007 1.0623007 1.1274900 1.1274900 1.2682590 1.2682590 1.3444279 1.3444279 1.4495365 1.4495365 1.4998940 1.4998940 1.6470133 1.6470133 1.9362305 1.9362305 2.0992736 2.0992736 2.1489199 2.1489199 2.1999048 2.1999048 2.2315508 2.2315508 2.3119866 2.3119866 2.3407161 2.3407161 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.770 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= 0.90000 0.50000 -0.50000 21 MATRIX SIZE= 134 WEIGHT=24.00 EIGENVALUES ARE: -2.4307497 -2.4307497 -1.1329486 -1.1329486 -0.7003684 -0.7003684 -0.6097893 -0.6097893 -0.4088135 -0.4088135 -0.3313181 -0.3313181 0.3806106 0.3806106 0.3948142 0.3948142 0.4212776 0.4212776 0.4709236 0.4709236 0.4985931 0.4985931 0.5880868 0.5880868 0.7943575 0.7943575 0.8207341 0.8207341 0.8388356 0.8388356 0.8576007 0.8576007 0.8825793 0.8825793 0.8973873 0.8973873 0.9372973 0.9372973 1.0590614 1.0590614 1.1239717 1.1239717 1.2650186 1.2650186 1.3544081 1.3544081 1.4656681 1.4656681 1.4990286 1.4990286 1.6441427 1.6441427 1.8436800 1.8436800 2.1089839 2.1089839 2.1475534 2.1475534 2.2322285 2.2322285 2.2927701 2.2927701 2.3331896 2.3331896 2.4291645 2.4291645 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.800 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 0.60000 -0.60000 22 MATRIX SIZE= 136 WEIGHT=12.00 EIGENVALUES ARE: -2.4321832 -2.4321832 -1.1269948 -1.1269948 -0.6881321 -0.6881321 -0.5907913 -0.5907913 -0.4166864 -0.4166864 -0.3518777 -0.3518777 0.3635420 0.3635420 0.3689188 0.3689188 0.4329229 0.4329229 0.4479302 0.4479302 0.4960363 0.4960363 0.5806540 0.5806540 0.8067114 0.8067114 0.8238082 0.8238082 0.8411535 0.8411535 0.8757693 0.8757693 0.8874737 0.8874737 0.9000483 0.9000483 0.9277248 0.9277248 1.0618671 1.0618671 1.1105345 1.1105345 1.2163778 1.2163778 1.3918392 1.3918392 1.4775031 1.4775031 1.5042988 1.5042988 1.6544483 1.6544483 1.7905894 1.7905894 2.0049584 2.0049584 2.1812646 2.1812646 2.3059055 2.3059055 2.3756330 2.3756330 2.4395198 2.4395198 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.830 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= 0.60000 0.00000 0.00000 23 MATRIX SIZE= 134 WEIGHT= 6.00 EIGENVALUES ARE: -2.4315353 -2.4315353 -1.1298835 -1.1298835 -0.6985613 -0.6985613 -0.5686797 -0.5686797 -0.4693417 -0.4693417 -0.3128443 -0.3128443 0.3472869 0.3472869 0.3867410 0.3867410 0.4119189 0.4119189 0.4470835 0.4470835 0.5595973 0.5595973 0.5788758 0.5788758 0.8015812 0.8015812 0.8204110 0.8204110 0.8391722 0.8391722 0.8719908 0.8719908 0.8975736 0.8975736 0.8980770 0.8980770 0.9300336 0.9300336 1.0314864 1.0314864 1.1359434 1.1359434 1.2716397 1.2716397 1.3567026 1.3567026 1.4350394 1.4350394 1.4704709 1.4704709 1.7675646 1.7675646 1.8245475 1.8245475 1.8547251 1.8547251 2.1301057 2.1301057 2.1710709 2.1710709 2.4848661 2.4848661 2.4885678 2.4885678 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.860 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= 0.70000 0.10000 -0.10000 24 MATRIX SIZE= 134 WEIGHT=24.00 EIGENVALUES ARE: -2.4303400 -2.4303400 -1.1348739 -1.1348739 -0.7083244 -0.7083244 -0.5860829 -0.5860829 -0.4621698 -0.4621698 -0.2945116 -0.2945116 0.3237726 0.3237726 0.4088658 0.4088658 0.4406802 0.4406802 0.4832959 0.4832959 0.5544709 0.5544709 0.5764440 0.5764440 0.7926493 0.7926493 0.8188829 0.8188829 0.8340652 0.8340652 0.8617636 0.8617636 0.8901706 0.8901706 0.8967402 0.8967402 0.9396354 0.9396354 1.0239481 1.0239481 1.1531738 1.1531738 1.3023207 1.3023207 1.3353224 1.3353224 1.4304791 1.4304791 1.4680826 1.4680826 1.7571693 1.7571693 1.8562272 1.8562272 1.9097664 1.9097664 2.0652511 2.0652511 2.0846891 2.0846891 2.3936248 2.3936248 2.4921332 2.4921332 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.890 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.010 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.80000 0.20000 -0.20000 25 MATRIX SIZE= 138 WEIGHT=24.00 EIGENVALUES ARE: -2.4294513 -2.4294513 -1.1383209 -1.1383209 -0.7141005 -0.7141005 -0.6094968 -0.6094968 -0.4369503 -0.4369503 -0.2916499 -0.2916499 0.3223890 0.3223890 0.4242124 0.4242124 0.4592281 0.4592281 0.5078193 0.5078193 0.5390748 0.5390748 0.5704024 0.5704024 0.7870122 0.7870122 0.8217860 0.8217860 0.8251970 0.8251970 0.8537668 0.8537668 0.8811942 0.8811942 0.8948102 0.8948102 0.9504579 0.9504579 1.0349444 1.0349444 1.1566153 1.1566153 1.2645891 1.2645891 1.3392899 1.3392899 1.4298497 1.4298497 1.5370066 1.5370066 1.7175525 1.7175525 1.8866135 1.8866135 1.9575862 1.9575862 2.0563674 2.0563674 2.0772199 2.0772199 2.2884265 2.2884265 2.3937175 2.3937175 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.920 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= 0.90000 0.30000 -0.30000 26 MATRIX SIZE= 136 WEIGHT=24.00 EIGENVALUES ARE: -2.4292113 -2.4292113 -1.1390529 -1.1390529 -0.7148545 -0.7148545 -0.6233553 -0.6233553 -0.4103829 -0.4103829 -0.3044632 -0.3044632 0.3429129 0.3429129 0.4228772 0.4228772 0.4575257 0.4575257 0.5015671 0.5015671 0.5215915 0.5215915 0.5815594 0.5815594 0.7838560 0.7838560 0.8178125 0.8178125 0.8297844 0.8297844 0.8503664 0.8503664 0.8754155 0.8754155 0.8912294 0.8912294 0.9542335 0.9542335 1.0468483 1.0468483 1.1526291 1.1526291 1.2612641 1.2612641 1.3254813 1.3254813 1.4322129 1.4322129 1.5899299 1.5899299 1.6951146 1.6951146 1.8382021 1.8382021 2.0452078 2.0452078 2.1044372 2.1044372 2.1209631 2.1209631 2.2149011 2.2149011 2.3209849 2.3209849 2.4348985 2.4348985 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= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.40000 -0.40000 27 MATRIX SIZE= 132 WEIGHT=12.00 EIGENVALUES ARE: -2.4297080 -2.4297080 -1.1369841 -1.1369841 -0.7099923 -0.7099923 -0.6230703 -0.6230703 -0.3955056 -0.3955056 -0.3241518 -0.3241518 0.3752693 0.3752693 0.4090144 0.4090144 0.4324749 0.4324749 0.4871628 0.4871628 0.5056686 0.5056686 0.5939012 0.5939012 0.7872184 0.7872184 0.8167710 0.8167710 0.8367148 0.8367148 0.8530856 0.8530856 0.8738542 0.8738542 0.8908126 0.8908126 0.9471315 0.9471315 1.0519001 1.0519001 1.1424312 1.1424312 1.2807308 1.2807308 1.3236301 1.3236301 1.4465521 1.4465521 1.5518787 1.5518787 1.6925083 1.6925083 1.8077289 1.8077289 2.1273007 2.1273007 2.1460081 2.1460081 2.1541620 2.1541620 2.2364013 2.2364013 2.3117197 2.3117197 2.3563372 2.3563372 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.980 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= 0.80000 0.00000 0.00000 28 MATRIX SIZE= 136 WEIGHT= 6.00 EIGENVALUES ARE: -2.4295274 -2.4295274 -1.1383538 -1.1383538 -0.7158368 -0.7158368 -0.5808201 -0.5808201 -0.4822577 -0.4822577 -0.2720918 -0.2720918 0.2926462 0.2926462 0.4340326 0.4340326 0.4738905 0.4738905 0.5091380 0.5091380 0.5504191 0.5504191 0.5721501 0.5721501 0.7860085 0.7860085 0.8147183 0.8147183 0.8334459 0.8334459 0.8578970 0.8578970 0.8970714 0.8970714 0.8977766 0.8977766 0.9506716 0.9506716 0.9939881 0.9939881 1.1736638 1.1736638 1.2593950 1.2593950 1.4065468 1.4065468 1.4404834 1.4404834 1.4438265 1.4438265 1.8125538 1.8125538 1.8622852 1.8622852 1.8744284 1.8744284 1.9438939 1.9438939 2.0277836 2.0277836 2.4799669 2.4799669 2.4819603 2.4819603 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.010 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.90000 0.10000 -0.10000 29 MATRIX SIZE= 136 WEIGHT=24.00 EIGENVALUES ARE: -2.4289492 -2.4289492 -1.1405779 -1.1405779 -0.7197701 -0.7197701 -0.5955888 -0.5955888 -0.4690770 -0.4690770 -0.2667717 -0.2667717 0.2854893 0.2854893 0.4502100 0.4502100 0.5001369 0.5001369 0.5261038 0.5261038 0.5383532 0.5383532 0.5560894 0.5560894 0.7834885 0.7834885 0.8156150 0.8156150 0.8273436 0.8273436 0.8544781 0.8544781 0.8907397 0.8907397 0.8964789 0.8964789 0.9614485 0.9614485 0.9984344 0.9984344 1.1744143 1.1744143 1.2340496 1.2340496 1.3815266 1.3815266 1.4236308 1.4236308 1.5704610 1.5704610 1.7694733 1.7694733 1.8106566 1.8106566 1.8967521 1.8967521 1.9720553 1.9720553 2.0125615 2.0125615 2.4170966 2.4170966 2.4630737 2.4630737 2.4944059 2.4944059 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.040 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= 1.00000 0.20000 -0.20000 30 MATRIX SIZE= 134 WEIGHT=12.00 EIGENVALUES ARE: -2.4288307 -2.4288307 -1.1407360 -1.1407360 -0.7194450 -0.7194450 -0.6148955 -0.6148955 -0.4373011 -0.4373011 -0.2808419 -0.2808419 0.3043581 0.3043581 0.4443521 0.4443521 0.5016839 0.5016839 0.5091588 0.5091588 0.5290152 0.5290152 0.5639869 0.5639869 0.7841258 0.7841258 0.8200503 0.8200503 0.8218141 0.8218141 0.8517569 0.8517569 0.8804470 0.8804470 0.8923269 0.8923269 0.9626368 0.9626368 1.0241673 1.0241673 1.1681620 1.1681620 1.2359616 1.2359616 1.3461485 1.3461485 1.4214489 1.4214489 1.6688043 1.6688043 1.7193246 1.7193246 1.7556508 1.7556508 1.9640700 1.9640700 2.0363692 2.0363692 2.0540174 2.0540174 2.3051276 2.3051276 2.3690908 2.3690908 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.070 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.00000 0.00000 31 MATRIX SIZE= 138 WEIGHT= 3.00 EIGENVALUES ARE: -2.4287679 -2.4287679 -1.1416111 -1.1416111 -0.7218429 -0.7218429 -0.5852918 -0.5852918 -0.4870176 -0.4870176 -0.2563467 -0.2563467 0.2718390 0.2718390 0.4634749 0.4634749 0.5263947 0.5263947 0.5347275 0.5347275 0.5350262 0.5350262 0.5377666 0.5377666 0.7773614 0.7773614 0.8103695 0.8103695 0.8263491 0.8263491 0.8528137 0.8528137 0.8957667 0.8957667 0.8977754 0.8977754 0.9666788 0.9666788 0.9777496 0.9777496 1.1737875 1.1737875 1.2259682 1.2259682 1.3968963 1.3968963 1.4300734 1.4300734 1.6143684 1.6143684 1.6940411 1.6940411 1.8663946 1.8663946 1.8821586 1.8821586 1.9013902 1.9013902 1.9896039 1.9896039 2.4806332 2.4806332 2.4818249 2.4818249 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.100 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= 0.40000 0.20000 0.00000 32 MATRIX SIZE= 140 WEIGHT=24.00 EIGENVALUES ARE: -2.4334991 -2.4334991 -1.1213631 -1.1213631 -0.6766892 -0.6766892 -0.5668453 -0.5668453 -0.4376420 -0.4376420 -0.3627433 -0.3627433 0.3442760 0.3442760 0.3567737 0.3567737 0.3970573 0.3970573 0.4396985 0.4396985 0.5321533 0.5321533 0.5655159 0.5655159 0.8148679 0.8148679 0.8284794 0.8284794 0.8412088 0.8412088 0.8882042 0.8882042 0.8981013 0.8981013 0.9072580 0.9072580 0.9213088 0.9213088 1.0669894 1.0669894 1.0906557 1.0906557 1.1604632 1.1604632 1.4338128 1.4338128 1.4798410 1.4798410 1.5149955 1.5149955 1.6753993 1.6753993 1.7893460 1.7893460 1.8935516 1.8935516 2.2473004 2.2473004 2.3553293 2.3553293 2.4012458 2.4012458 2.4868493 2.4868493 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.140 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.50000 0.30000 -0.10000 33 MATRIX SIZE= 136 WEIGHT=48.00 EIGENVALUES ARE: -2.4318827 -2.4318827 -1.1283885 -1.1283885 -0.6915172 -0.6915172 -0.5901230 -0.5901230 -0.4283039 -0.4283039 -0.3382055 -0.3382055 0.3644986 0.3644986 0.3792037 0.3792037 0.4173667 0.4173667 0.4459225 0.4459225 0.5224216 0.5224216 0.5749850 0.5749850 0.8029702 0.8029702 0.8247035 0.8247035 0.8378802 0.8378802 0.8686979 0.8686979 0.8883682 0.8883682 0.9021553 0.9021553 0.9284717 0.9284717 1.0673184 1.0673184 1.1080686 1.1080686 1.2271965 1.2271965 1.3832830 1.3832830 1.4664408 1.4664408 1.4968255 1.4968255 1.6480366 1.6480366 1.8330041 1.8330041 1.9874153 1.9874153 2.1853831 2.1853831 2.2808881 2.2808881 2.3278117 2.3278117 2.4595892 2.4595892 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.160 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.020 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.000, DIAG= 0.030 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.60000 0.40000 -0.20000 34 MATRIX SIZE= 136 WEIGHT=48.00 EIGENVALUES ARE: -2.4305632 -2.4305632 -1.1339425 -1.1339425 -0.7017343 -0.7017343 -0.6083818 -0.6083818 -0.4223794 -0.4223794 -0.3173415 -0.3173415 0.3761999 0.3761999 0.3968717 0.3968717 0.4143173 0.4143173 0.4775160 0.4775160 0.5219561 0.5219561 0.5751554 0.5751554 0.7880576 0.7880576 0.8231620 0.8231620 0.8354961 0.8354961 0.8524004 0.8524004 0.8873497 0.8873497 0.9019199 0.9019199 0.9393505 0.9393505 1.0691453 1.0691453 1.1150677 1.1150677 1.2628822 1.2628822 1.3528875 1.3528875 1.4544196 1.4544196 1.4900218 1.4900218 1.6301381 1.6301381 1.9234805 1.9234805 2.0816522 2.0816522 2.1546993 2.1546993 2.2193421 2.2193421 2.2381613 2.2381613 2.3574587 2.3574587 2.4510883 2.4510883 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.200 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.70000 0.50000 -0.30000 35 MATRIX SIZE= 138 WEIGHT=24.00 EIGENVALUES ARE: -2.4300516 -2.4300516 -1.1360118 -1.1360118 -0.7053393 -0.7053393 -0.6150675 -0.6150675 -0.4207079 -0.4207079 -0.3089595 -0.3089595 0.3801091 0.3801091 0.4023058 0.4023058 0.4159897 0.4159897 0.4853006 0.4853006 0.5281109 0.5281109 0.5724401 0.5724401 0.7809850 0.7809850 0.8240027 0.8240027 0.8349529 0.8349529 0.8486646 0.8486646 0.8888067 0.8888067 0.9031278 0.9031278 0.9457965 0.9457965 1.0719527 1.0719527 1.1159435 1.1159435 1.2662718 1.2662718 1.3463994 1.3463994 1.4490938 1.4490938 1.4830536 1.4830536 1.6388517 1.6388517 1.9962051 1.9962051 2.0785471 2.0785471 2.1573256 2.1573256 2.1733183 2.1733183 2.2705614 2.2705614 2.2990464 2.2990464 2.3683632 2.3683632 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.230 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.60000 0.20000 0.00000 36 MATRIX SIZE= 136 WEIGHT=24.00 EIGENVALUES ARE: -2.4312676 -2.4312676 -1.1309374 -1.1309374 -0.6992494 -0.6992494 -0.5863832 -0.5863832 -0.4456935 -0.4456935 -0.3186746 -0.3186746 0.3568448 0.3568448 0.3895187 0.3895187 0.4105731 0.4105731 0.4573079 0.4573079 0.5461967 0.5461967 0.5788964 0.5788964 0.8001912 0.8001912 0.8225413 0.8225413 0.8365515 0.8365515 0.8687373 0.8687373 0.8888287 0.8888287 0.8962661 0.8962661 0.9304971 0.9304971 1.0492437 1.0492437 1.1279186 1.1279186 1.2693703 1.2693703 1.3500674 1.3500674 1.4474411 1.4474411 1.4803182 1.4803182 1.7177864 1.7177864 1.8237062 1.8237062 1.9376833 1.9376833 2.1398510 2.1398510 2.1879897 2.1879897 2.3671028 2.3671028 2.4536723 2.4536723 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.260 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= 0.70000 0.30000 -0.10000 37 MATRIX SIZE= 134 WEIGHT=48.00 EIGENVALUES ARE: -2.4300693 -2.4300693 -1.1357522 -1.1357522 -0.7081756 -0.7081756 -0.6084232 -0.6084232 -0.4268149 -0.4268149 -0.3083865 -0.3083865 0.3486014 0.3486014 0.4053282 0.4053282 0.4342981 0.4342981 0.4907541 0.4907541 0.5334626 0.5334626 0.5793670 0.5793670 0.7911593 0.7911593 0.8218314 0.8218314 0.8318951 0.8318951 0.8564117 0.8564117 0.8817850 0.8817850 0.8942436 0.8942436 0.9423280 0.9423280 1.0537880 1.0537880 1.1359369 1.1359369 1.2894308 1.2894308 1.3222402 1.3222402 1.4418985 1.4418985 1.5075877 1.5075877 1.6998407 1.6998407 1.8694494 1.8694494 1.9998905 1.9998905 2.0957357 2.0957357 2.1504961 2.1504961 2.2734315 2.2734315 2.4176991 2.4176991 2.4645482 2.4645482 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) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.80000 0.40000 -0.20000 38 MATRIX SIZE= 136 WEIGHT=48.00 EIGENVALUES ARE: -2.4294409 -2.4294409 -1.1381191 -1.1381191 -0.7122069 -0.7122069 -0.6223874 -0.6223874 -0.4086289 -0.4086289 -0.3093760 -0.3093760 0.3572210 0.3572210 0.4074807 0.4074807 0.4454799 0.4454799 0.5008655 0.5008655 0.5273801 0.5273801 0.5776161 0.5776161 0.7840990 0.7840990 0.8199601 0.8199601 0.8330905 0.8330905 0.8499382 0.8499382 0.8787372 0.8787372 0.8928727 0.8928727 0.9509271 0.9509271 1.0616948 1.0616948 1.1369049 1.1369049 1.2687884 1.2687884 1.3234385 1.3234385 1.4374209 1.4374209 1.5530188 1.5530188 1.6795514 1.6795514 1.9207526 1.9207526 1.9962215 1.9962215 2.1093596 2.1093596 2.1781013 2.1781013 2.2203695 2.2203695 2.3246442 2.3246442 2.4317563 2.4317563 2.4985704 2.4985704 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.320 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= 0.90000 0.50000 -0.30000 39 MATRIX SIZE= 136 WEIGHT=48.00 EIGENVALUES ARE: -2.4296334 -2.4296334 -1.1373241 -1.1373241 -0.7103895 -0.7103895 -0.6229728 -0.6229728 -0.4003445 -0.4003445 -0.3189593 -0.3189593 0.3744823 0.3744823 0.3991421 0.3991421 0.4366366 0.4366366 0.4946515 0.4946515 0.5146977 0.5146977 0.5867196 0.5867196 0.7860568 0.7860568 0.8181228 0.8181228 0.8359510 0.8359510 0.8505369 0.8505369 0.8766289 0.8766289 0.8907130 0.8907130 0.9474980 0.9474980 1.0623151 1.0623151 1.1337843 1.1337843 1.2777664 1.2777664 1.3213716 1.3213716 1.4433084 1.4433084 1.5471043 1.5471043 1.6808236 1.6808236 1.8625939 1.8625939 2.0631702 2.0631702 2.1301936 2.1301936 2.1687505 2.1687505 2.2644605 2.2644605 2.3231762 2.3231762 2.3658219 2.3658219 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.350 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 0.60000 -0.40000 40 MATRIX SIZE= 132 WEIGHT=24.00 EIGENVALUES ARE: -2.4305707 -2.4305707 -1.1336687 -1.1336687 -0.7028474 -0.7028474 -0.6105442 -0.6105442 -0.4085434 -0.4085434 -0.3293765 -0.3293765 0.3791362 0.3791362 0.3998687 0.3998687 0.4100708 0.4100708 0.4774968 0.4774968 0.5086668 0.5086668 0.5897400 0.5897400 0.7944395 0.7944395 0.8197738 0.8197738 0.8372499 0.8372499 0.8594023 0.8594023 0.8784592 0.8784592 0.8925296 0.8925296 0.9370639 0.9370639 1.0615317 1.0615317 1.1243122 1.1243122 1.2790334 1.2790334 1.3371653 1.3371653 1.4584100 1.4584100 1.5055140 1.5055140 1.6829076 1.6829076 1.8144156 1.8144156 2.0675997 2.0675997 2.1429581 2.1429581 2.2363365 2.2363365 2.2440507 2.2440507 2.3831214 2.3831214 2.4461514 2.4461514 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= 0.80000 0.20000 0.00000 41 MATRIX SIZE= 136 WEIGHT=24.00 EIGENVALUES ARE: -2.4294518 -2.4294518 -1.1384046 -1.1384046 -0.7150976 -0.7150976 -0.6004227 -0.6004227 -0.4531017 -0.4531017 -0.2832337 -0.2832337 0.3078431 0.3078431 0.4282260 0.4282260 0.4701838 0.4701838 0.5092110 0.5092110 0.5423287 0.5423287 0.5703161 0.5703161 0.7876489 0.7876489 0.8187002 0.8187002 0.8289213 0.8289213 0.8559574 0.8559574 0.8865908 0.8865908 0.8941328 0.8941328 0.9508928 0.9508928 1.0214222 1.0214222 1.1632938 1.1632938 1.2626359 1.2626359 1.3539611 1.3539611 1.4291492 1.4291492 1.5175212 1.5175212 1.7741544 1.7741544 1.8458057 1.8458057 1.9069520 1.9069520 2.0225728 2.0225728 2.0607516 2.0607516 2.3694850 2.3694850 2.4493377 2.4493377 2.4798537 2.4798537 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) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.90000 0.30000 -0.10000 42 MATRIX SIZE= 136 WEIGHT=48.00 EIGENVALUES ARE: -2.4289472 -2.4289472 -1.1401454 -1.1401454 -0.7178908 -0.7178908 -0.6186692 -0.6186692 -0.4273047 -0.4273047 -0.2890274 -0.2890274 0.3154320 0.3154320 0.4304098 0.4304098 0.4888714 0.4888714 0.5181237 0.5181237 0.5289506 0.5289506 0.5624512 0.5624512 0.7849598 0.7849598 0.8198996 0.8198996 0.8259632 0.8259632 0.8510783 0.8510783 0.8804196 0.8804196 0.8909831 0.8909831 0.9595592 0.9595592 1.0387403 1.0387403 1.1597514 1.1597514 1.2458990 1.2458990 1.3300154 1.3300154 1.4255502 1.4255502 1.6198185 1.6198185 1.7431800 1.7431800 1.8150793 1.8150793 1.9169929 1.9169929 2.0528467 2.0528467 2.1140094 2.1140094 2.2771506 2.2771506 2.3835369 2.3835369 2.4784806 2.4784806 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.440 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= 1.00000 0.40000 -0.20000 43 MATRIX SIZE= 136 WEIGHT=24.00 EIGENVALUES ARE: -2.4290156 -2.4290156 -1.1396451 -1.1396451 -0.7162691 -0.7162691 -0.6274640 -0.6274640 -0.4031295 -0.4031295 -0.3067220 -0.3067220 0.3424105 0.3424105 0.4148976 0.4148976 0.4773341 0.4773341 0.5021652 0.5021652 0.5221821 0.5221821 0.5765824 0.5765824 0.7846110 0.7846110 0.8176113 0.8176113 0.8326364 0.8326364 0.8490699 0.8490699 0.8760007 0.8760007 0.8879752 0.8879752 0.9572651 0.9572651 1.0545921 1.0545921 1.1499673 1.1499673 1.2623280 1.2623280 1.3081672 1.3081672 1.4297905 1.4297905 1.6317359 1.6317359 1.7245279 1.7245279 1.7966722 1.7966722 1.9904503 1.9904503 2.1017665 2.1017665 2.1572887 2.1572887 2.2241623 2.2241623 2.3373040 2.3373040 2.4159692 2.4159692 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.480 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.20000 0.00000 44 MATRIX SIZE= 140 WEIGHT=12.00 EIGENVALUES ARE: -2.4287567 -2.4287567 -1.1412081 -1.1412081 -0.7207188 -0.7207188 -0.6054920 -0.6054920 -0.4560708 -0.4560708 -0.2694534 -0.2694534 0.2883892 0.2883892 0.4513012 0.4513012 0.5180137 0.5180137 0.5300609 0.5300609 0.5320238 0.5320238 0.5416738 0.5416738 0.7833823 0.7833823 0.8177681 0.8177681 0.8238149 0.8238149 0.8527746 0.8527746 0.8869419 0.8869419 0.8935862 0.8935862 0.9655640 0.9655640 1.0093120 1.0093120 1.1709564 1.1709564 1.2280488 1.2280488 1.3638533 1.3638533 1.4216213 1.4216213 1.6754015 1.6754015 1.6930146 1.6930146 1.8041889 1.8041889 1.8786794 1.8786794 2.0130151 2.0130151 2.0290322 2.0290322 2.3840442 2.3840442 2.4503775 2.4503775 2.4621189 2.4621189 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) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.80000 0.40000 0.00000 45 MATRIX SIZE= 136 WEIGHT=24.00 EIGENVALUES ARE: -2.4292588 -2.4292588 -1.1387999 -1.1387999 -0.7143219 -0.7143219 -0.6237937 -0.6237937 -0.4074634 -0.4074634 -0.3078461 -0.3078461 0.3444965 0.3444965 0.4078647 0.4078647 0.4663992 0.4663992 0.5105576 0.5105576 0.5201490 0.5201490 0.5757979 0.5757979 0.7855758 0.7855758 0.8180964 0.8180964 0.8324795 0.8324795 0.8492246 0.8492246 0.8772330 0.8772330 0.8872865 0.8872865 0.9519516 0.9519516 1.0617740 1.0617740 1.1396963 1.1396963 1.2761760 1.2761760 1.3033093 1.3033093 1.4335290 1.4335290 1.5830902 1.5830902 1.7325200 1.7325200 1.8399441 1.8399441 1.9560767 1.9560767 2.0919006 2.0919006 2.2028350 2.2028350 2.2179868 2.2179868 2.3778306 2.3778306 2.4213381 2.4213381 2.4667459 2.4667459 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.540 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.90000 0.50000 -0.10000 46 MATRIX SIZE= 134 WEIGHT=24.00 EIGENVALUES ARE: -2.4289395 -2.4289395 -1.1398637 -1.1398637 -0.7164546 -0.7164546 -0.6301100 -0.6301100 -0.3975811 -0.3975811 -0.3097032 -0.3097032 0.3470755 0.3470755 0.4027754 0.4027754 0.4843271 0.4843271 0.5105899 0.5105899 0.5259991 0.5259991 0.5661046 0.5661046 0.7841364 0.7841364 0.8171267 0.8171267 0.8361797 0.8361797 0.8455179 0.8455179 0.8765185 0.8765185 0.8860015 0.8860015 0.9577892 0.9577892 1.0689233 1.0689233 1.1399987 1.1399987 1.2707613 1.2707613 1.2877200 1.2877200 1.4292705 1.4292705 1.6419352 1.6419352 1.7217582 1.7217582 1.8507848 1.8507848 1.9175044 1.9175044 2.1310802 2.1310802 2.1453176 2.1453176 2.2492371 2.2492371 2.3514320 2.3514320 2.4062091 2.4062091 2.4552470 2.4552470 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.570 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.010 CPTIME HAMILT= 0.010, DIAG= 0.020 CPTIME Hsoset= 0.010, Horb= 0.000 K= 1.00000 0.40000 0.00000 47 MATRIX SIZE= 134 WEIGHT=12.00 EIGENVALUES ARE: -2.4287531 -2.4287531 -1.1406439 -1.1406439 -0.7184772 -0.7184772 -0.6286116 -0.6286116 -0.4075623 -0.4075623 -0.2991015 -0.2991015 0.3276052 0.3276052 0.4151858 0.4151858 0.5072562 0.5072562 0.5237934 0.5237934 0.5281231 0.5281231 0.5452818 0.5452818 0.7839449 0.7839449 0.8177987 0.8177987 0.8331562 0.8331562 0.8463892 0.8463892 0.8792456 0.8792456 0.8864250 0.8864250 0.9627729 0.9627729 1.0596425 1.0596425 1.1499378 1.1499378 1.2498686 1.2498686 1.2988966 1.2988966 1.4251613 1.4251613 1.6918613 1.6918613 1.7597888 1.7597888 1.7838466 1.7838466 1.8774818 1.8774818 2.0841326 2.0841326 2.1916839 2.1916839 2.2096601 2.2096601 2.4082808 2.4082808 2.4317729 2.4317729 2.4495772 2.4495772 2.4909078 2.4909078 0 EIGENVALUES BELOW THE ENERGY ******************************************************** TOTAL NUMBER OF K-POINTS: 47 TOTAL TIME: 1.59000000000000 read: 0.000000000000000E+000 alm: 0.200000000000000 hmsec: 1.22000000000000 write: 1.000000000000001E-002