*********** 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 634 3 ATOMIC PARAMETERS FOR 1 SPIN=1 ENERGY PARAMETERS ARE 0.30 -0.40 0.68 0.92 0.30 0.30 0.30 for lo: 0.30 -0.40 0.68 0.92 -2.18 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 0.4387325072E+00 0.1486121286E+00 -0.6202963192E-01 -0.2742646635E+00 0.3381654682E-01 1 0.1262804293E+00 -0.1395092338E+00 -0.3986495447E+00 -0.4395034317E+00 0.4797002635E+00 2 -0.3461730448E+00 0.2818123240E-03 0.1568489918E+00 0.3208586837E+00 0.7130626244E-01 3 -0.1983271131E+00 0.2543265672E-02 0.5752768102E+00 0.5529716590E+00 0.1266904714E+01 4 0.6047607819E+00 0.7302787240E+00 -0.4984579543E-01 -0.2439159834E+00 0.5510935971E-02 LO COEFFICIENT: l,A,B,C 0 0.60952 4.31107 0.00000 LO COEFFICIENT: l,A,B,C 0 0.13108 0.00000 0.97137 LO COEFFICIENT: l,A,B,C 1 0.97677 0.30941 0.00000 LO COEFFICIENT: l,A,B,C 1 0.58243 0.00000 0.45299 LO COEFFICIENT: l,A,B,C 2 0.86151 1.90140 0.00000 LO COEFFICIENT: l,A,B,C 3 0.93227 0.32140 0.00000 -4.97000000000000 relativistic lo: 1 -0.887500000000083 0.126280429315247 RLO COEFFICIENT: l,A,B,C 1 2.47307 0.00000 -3.31721 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 -0.7430848223E+00 0.1280855777E+00 0.1767773008E+00 0.4952048213E+00 0.1655501791E-01 1 0.6510824360E+00 -0.2953050877E+00 -0.2230738427E+00 -0.4988190957E+00 0.2978445688E-01 2 0.1197657856E+01 0.1140232615E+01 -0.6822194448E-01 -0.3911112294E+00 0.1985784239E-02 3 0.1425138244E+01 0.2411482390E+01 -0.4312109390E-01 -0.3470540788E+00 0.6305574972E-03 4 0.1602207587E+01 0.3793382306E+01 -0.3141774720E-01 -0.3181711793E+00 0.2822958585E-03 LO COEFFICIENT: l,A,B,C 0 0.87959 3.69737 0.00000 LO COEFFICIENT: l,A,B,C 0 0.94585 0.00000 -1.87999 LO COEFFICIENT: l,A,B,C 1 0.89310 2.60667 0.00000 Seclr4(Cholesky complete) : 0.110 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= 0.00000 0.00000 0.00000 1 MATRIX SIZE= 104 WEIGHT= 1.00 EIGENVALUES ARE: -2.1836705 -2.1836705 -0.8332970 -0.8332970 -0.1586765 -0.1586765 -0.1476858 -0.1476858 -0.1476858 -0.1476858 0.6811734 0.6811734 0.7024875 0.7024875 0.7024875 0.7024875 0.9555946 0.9555946 1.0254293 1.0254293 1.0254293 1.0254293 1.0541036 1.0541036 1.1072331 1.1072331 1.1422453 1.1422453 1.1446023 1.1446023 1.1446023 1.1446023 1.2476869 1.2476869 1.2476869 1.2476869 1.2674459 1.2674459 1.2725364 1.2725364 1.2725364 1.2725364 1.8991067 1.8991067 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.05000 0.05000 -0.05000 2 MATRIX SIZE= 104 WEIGHT= 8.00 EIGENVALUES ARE: -2.1832346 -2.1832346 -0.8346166 -0.8346166 -0.1954315 -0.1954315 -0.1481393 -0.1481393 -0.1104767 -0.1104767 0.6767990 0.6767990 0.6959219 0.6959219 0.6986632 0.6986632 0.9469432 0.9469432 1.0254104 1.0254104 1.0299532 1.0299532 1.0595701 1.0595701 1.1183404 1.1183404 1.1440878 1.1440878 1.1459934 1.1459934 1.1468019 1.1468019 1.2252728 1.2252728 1.2367068 1.2367068 1.2565049 1.2565049 1.3060029 1.3060029 1.3071288 1.3071288 1.9078475 1.9078475 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.150 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= 0.10000 0.10000 -0.10000 3 MATRIX SIZE= 106 WEIGHT= 8.00 EIGENVALUES ARE: -2.1819655 -2.1819655 -0.8384162 -0.8384162 -0.2354442 -0.2354442 -0.1494458 -0.1494458 -0.0691493 -0.0691493 0.6619076 0.6619076 0.6806687 0.6806687 0.6878203 0.6878203 0.9316309 0.9316309 1.0253382 1.0253382 1.0330035 1.0330035 1.0755494 1.0755494 1.1393507 1.1393507 1.1507666 1.1507666 1.1521310 1.1521310 1.1558431 1.1558431 1.2075334 1.2075334 1.2238010 1.2238010 1.2602584 1.2602584 1.3548548 1.3548548 1.3584537 1.3584537 1.9342477 1.9342477 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.170 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= 0.15000 0.15000 -0.15000 4 MATRIX SIZE= 106 WEIGHT= 8.00 EIGENVALUES ARE: -2.1799771 -2.1799771 -0.8443206 -0.8443206 -0.2727360 -0.2727360 -0.1514538 -0.1514538 -0.0297811 -0.0297811 0.6352953 0.6352953 0.6641897 0.6641897 0.6717527 0.6717527 0.9207472 0.9207472 1.0252053 1.0252053 1.0324492 1.0324492 1.0926115 1.0926115 1.1403468 1.1403468 1.1493701 1.1493701 1.1582373 1.1582373 1.2025779 1.2025779 1.2092078 1.2092078 1.2267113 1.2267113 1.2669385 1.2669385 1.4109289 1.4109289 1.4194554 1.4194554 1.9785110 1.9785110 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.190 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= 0.20000 0.20000 -0.20000 5 MATRIX SIZE= 102 WEIGHT= 8.00 EIGENVALUES ARE: -2.1774504 -2.1774504 -0.8518495 -0.8518495 -0.3062906 -0.3062906 -0.1539463 -0.1539463 0.0064332 0.0064332 0.6025351 0.6025351 0.6473729 0.6473729 0.6527308 0.6527308 0.9184343 0.9184343 1.0250286 1.0250286 1.0310342 1.0310342 1.1039070 1.1039070 1.1406194 1.1406194 1.1427053 1.1427053 1.1597889 1.1597889 1.2282789 1.2282789 1.2448855 1.2448855 1.2631274 1.2631274 1.2745858 1.2745858 1.4736277 1.4736277 1.4867567 1.4867567 2.0399575 2.0399575 2.4846615 2.4846615 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.25000 0.25000 -0.25000 6 MATRIX SIZE= 102 WEIGHT= 8.00 EIGENVALUES ARE: -2.1746217 -2.1746217 -0.8604030 -0.8604030 -0.3353832 -0.3353832 -0.1566568 -0.1566568 0.0385682 0.0385682 0.5687107 0.5687107 0.6305981 0.6305981 0.6330334 0.6330334 0.9255288 0.9255288 1.0248425 1.0248425 1.0297232 1.0297232 1.1086165 1.1086165 1.1360468 1.1360468 1.1427033 1.1427033 1.1596937 1.1596937 1.2565071 1.2565071 1.2703249 1.2703249 1.2797506 1.2797506 1.3335151 1.3335151 1.5411362 1.5411362 1.5582561 1.5582561 2.1151885 2.1151885 2.3756345 2.3756345 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.240 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= 0.30000 0.30000 -0.30000 7 MATRIX SIZE= 102 WEIGHT= 8.00 EIGENVALUES ARE: -2.1717629 -2.1717629 -0.8691124 -0.8691124 -0.3595179 -0.3595179 -0.1593064 -0.1593064 0.0659651 0.0659651 0.5369445 0.5369445 0.6145830 0.6145830 0.6150362 0.6150362 0.9409359 0.9409359 1.0246730 1.0246730 1.0287605 1.0287605 1.1094573 1.1094573 1.1310212 1.1310212 1.1456565 1.1456565 1.1595426 1.1595426 1.2723643 1.2723643 1.2887126 1.2887126 1.3095155 1.3095155 1.4056273 1.4056273 1.6114199 1.6114199 1.6316379 1.6316379 2.1858744 2.1858744 2.2950905 2.2950905 2.4427093 2.4427093 2.4937515 2.4937515 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= 0.35000 0.35000 -0.35000 8 MATRIX SIZE= 98 WEIGHT= 8.00 EIGENVALUES ARE: -2.1691575 -2.1691575 -0.8769190 -0.8769190 -0.3783789 -0.3783789 -0.1616083 -0.1616083 0.0881237 0.0881237 0.5095055 0.5095055 0.5988632 0.5988632 0.6018067 0.6018067 0.9619584 0.9619584 1.0245395 1.0245395 1.0281412 1.0281412 1.1091934 1.1091934 1.1276047 1.1276047 1.1482344 1.1482344 1.1597029 1.1597029 1.2648919 1.2648919 1.3208706 1.3208706 1.3433939 1.3433939 1.4765591 1.4765591 1.6818170 1.6818170 1.7040529 1.7040529 2.1627725 2.1627725 2.3059667 2.3059667 2.3645492 2.3645492 2.3922363 2.3922363 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.280 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= 0.40000 0.40000 -0.40000 9 MATRIX SIZE= 98 WEIGHT= 8.00 EIGENVALUES ARE: -2.1670716 -2.1670716 -0.8833642 -0.8833642 -0.3919022 -0.3919022 -0.1634418 -0.1634418 0.1045632 0.1045632 0.4882377 0.4882377 0.5869328 0.5869328 0.5917779 0.5917779 0.9842349 0.9842349 1.0244353 1.0244353 1.0277856 1.0277856 1.1091820 1.1091820 1.1254584 1.1254584 1.1500464 1.1500464 1.1602497 1.1602497 1.2531618 1.2531618 1.3486248 1.3486248 1.3731518 1.3731518 1.5399746 1.5399746 1.7478239 1.7478239 1.7710405 1.7710405 2.1034149 2.1034149 2.2340866 2.2340866 2.3021118 2.3021118 2.4317383 2.4317383 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.300 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= 0.45000 0.45000 -0.45000 10 MATRIX SIZE= 94 WEIGHT= 8.00 EIGENVALUES ARE: -2.1657237 -2.1657237 -0.8871226 -0.8871226 -0.3999230 -0.3999230 -0.1644992 -0.1644992 0.1147620 0.1147620 0.4747080 0.4747080 0.5795107 0.5795107 0.5855417 0.5855417 1.0018128 1.0018128 1.0243792 1.0243792 1.0276137 1.0276137 1.1097114 1.1097114 1.1242978 1.1242978 1.1511068 1.1511068 1.1610863 1.1610863 1.2415764 1.2415764 1.3676555 1.3676555 1.3937667 1.3937667 1.5865962 1.5865962 1.7999247 1.7999247 1.8237207 1.8237207 2.0640124 2.0640124 2.1614169 2.1614169 2.2346312 2.2346312 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.320 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= 0.50000 0.50000 -0.50000 11 MATRIX SIZE= 94 WEIGHT= 4.00 EIGENVALUES ARE: -2.1652577 -2.1652577 -0.8885424 -0.8885424 -0.4026184 -0.4026184 -0.1648913 -0.1648913 0.1182287 0.1182287 0.4700558 0.4700558 0.5769956 0.5769956 0.5834286 0.5834286 1.0085888 1.0085888 1.0243583 1.0243583 1.0275653 1.0275653 1.1101038 1.1101038 1.1239311 1.1239311 1.1514554 1.1514554 1.1615702 1.1615702 1.2364990 1.2364990 1.3744583 1.3744583 1.4011766 1.4011766 1.6043699 1.6043699 1.8209771 1.8209771 1.8452703 1.8452703 2.0529559 2.0529559 2.1291682 2.1291682 2.2079361 2.2079361 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.340 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= 0.10000 0.00000 0.00000 12 MATRIX SIZE= 104 WEIGHT= 6.00 EIGENVALUES ARE: -2.1830894 -2.1830894 -0.8350586 -0.8350586 -0.2006006 -0.2006006 -0.1504465 -0.1504465 -0.1031565 -0.1031565 0.6714380 0.6714380 0.6927114 0.6927114 0.7035477 0.7035477 0.9433998 0.9433998 1.0274608 1.0274608 1.0307971 1.0307971 1.0603593 1.0603593 1.1212143 1.1212143 1.1398528 1.1398528 1.1479790 1.1479790 1.1508982 1.1508982 1.2129365 1.2129365 1.2489909 1.2489909 1.2631927 1.2631927 1.2819062 1.2819062 1.3324039 1.3324039 1.9106936 1.9106936 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.360 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= 0.15000 0.05000 -0.05000 13 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.1820986 -2.1820986 -0.8380136 -0.8380136 -0.2303495 -0.2303495 -0.1524276 -0.1524276 -0.0718877 -0.0718877 0.6530763 0.6530763 0.6857604 0.6857604 0.6997651 0.6997651 0.9295468 0.9295468 1.0274801 1.0274801 1.0353105 1.0353105 1.0718339 1.0718339 1.1356283 1.1356283 1.1439895 1.1439895 1.1547967 1.1547967 1.1568678 1.1568678 1.1985959 1.1985959 1.2416910 1.2416910 1.2612625 1.2612625 1.3175727 1.3175727 1.3776895 1.3776895 1.9310209 1.9310209 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= 0.20000 0.10000 -0.10000 14 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.1803505 -2.1803505 -0.8432082 -0.8432082 -0.2647318 -0.2647318 -0.1543368 -0.1543368 -0.0363490 -0.0363490 0.6282750 0.6282750 0.6730514 0.6730514 0.6880931 0.6880931 0.9171475 0.9171475 1.0263656 1.0263656 1.0361203 1.0361203 1.0885730 1.0885730 1.1339119 1.1339119 1.1537859 1.1537859 1.1604418 1.1604418 1.1831399 1.1831399 1.2032497 1.2032497 1.2392118 1.2392118 1.2676087 1.2676087 1.3699840 1.3699840 1.4333864 1.4333864 1.9690902 1.9690902 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.25000 0.15000 -0.15000 15 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.1780035 -2.1780035 -0.8500608 -0.8500608 -0.2976817 -0.2976817 -0.1567213 -0.1567213 -0.0019842 -0.0019842 0.6004976 0.6004976 0.6555342 0.6555342 0.6718717 0.6718717 0.9121174 0.9121174 1.0253116 1.0253116 1.0350624 1.0350624 1.1016338 1.1016338 1.1325032 1.1325032 1.1479706 1.1479706 1.1615646 1.1615646 1.2112928 1.2112928 1.2436898 1.2436898 1.2564774 1.2564774 1.2760089 1.2760089 1.4308766 1.4308766 1.4957921 1.4957921 2.0246385 2.0246385 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.30000 0.20000 -0.20000 16 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1752752 -2.1752752 -0.8581463 -0.8581463 -0.3272170 -0.3272170 -0.1594533 -0.1594533 0.0291370 0.0291370 0.5719467 0.5719467 0.6362741 0.6362741 0.6536596 0.6536596 0.9163070 0.9163070 1.0246673 1.0246673 1.0335222 1.0335222 1.1079528 1.1079528 1.1313562 1.1313562 1.1439575 1.1439575 1.1603777 1.1603777 1.2366047 1.2366047 1.2743403 1.2743403 1.2859975 1.2859975 1.3133990 1.3133990 1.4983356 1.4983356 1.5622977 1.5622977 2.0954860 2.0954860 2.3976042 2.3976042 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.35000 0.25000 -0.25000 17 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1724253 -2.1724253 -0.8666847 -0.8666847 -0.3523740 -0.3523740 -0.1622695 -0.1622695 0.0559606 0.0559606 0.5444581 0.5444581 0.6182339 0.6182339 0.6353026 0.6353026 0.9293359 0.9293359 1.0244522 1.0244522 1.0319750 1.0319750 1.1092865 1.1092865 1.1289330 1.1289330 1.1443237 1.1443237 1.1592685 1.1592685 1.2605802 1.2605802 1.2866827 1.2866827 1.3132964 1.3132964 1.3836956 1.3836956 1.5704545 1.5704545 1.6304658 1.6304658 2.1713944 2.1713944 2.3033335 2.3033335 2.4488156 2.4488156 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.40000 0.30000 -0.30000 18 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1697335 -2.1697335 -0.8747715 -0.8747715 -0.3726214 -0.3726214 -0.1648787 -0.1648787 0.0778936 0.0778936 0.5197855 0.5197855 0.6033378 0.6033378 0.6183633 0.6183633 0.9491898 0.9491898 1.0245149 1.0245149 1.0305804 1.0305804 1.1088089 1.1088089 1.1261736 1.1261736 1.1463955 1.1463955 1.1587581 1.1587581 1.2668905 1.2668905 1.3073277 1.3073277 1.3454911 1.3454911 1.4558580 1.4558580 1.6448206 1.6448206 1.6976625 1.6976625 2.1742212 2.1742212 2.2959188 2.2959188 2.3589455 2.3589455 2.4640882 2.4640882 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.500 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= 0.45000 0.35000 -0.35000 19 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1674722 -2.1674722 -0.8816244 -0.8816244 -0.3877022 -0.3877022 -0.1670467 -0.1670467 0.0945818 0.0945818 0.4995965 0.4995965 0.5925295 0.5925295 0.6041893 0.6041893 0.9722888 0.9722888 1.0245941 1.0245941 1.0293734 1.0293734 1.1082486 1.1082486 1.1240478 1.1240478 1.1482540 1.1482540 1.1588076 1.1588076 1.2594013 1.2594013 1.3344484 1.3344484 1.3736948 1.3736948 1.5237667 1.5237667 1.7174917 1.7174917 1.7604145 1.7604145 2.1098107 2.1098107 2.2539133 2.2539133 2.3458965 2.3458965 2.4183685 2.4183685 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.520 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= 0.50000 0.40000 -0.40000 20 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1658763 -2.1658763 -0.8864108 -0.8864108 -0.3974823 -0.3974823 -0.1685494 -0.1685494 0.1057376 0.1057376 0.4853749 0.4853749 0.5858431 0.5858431 0.5941808 0.5941808 0.9934990 0.9934990 1.0242891 1.0242891 1.0283128 1.0283128 1.1081626 1.1081626 1.1226905 1.1226905 1.1494861 1.1494861 1.1592863 1.1592863 1.2486371 1.2486371 1.3572261 1.3572261 1.3931095 1.3931095 1.5789270 1.5789270 1.7802893 1.7802893 1.8126819 1.8126819 2.0583419 2.0583419 2.1842086 2.1842086 2.2724781 2.2724781 2.4890779 2.4890779 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.540 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= 0.55000 0.45000 -0.45000 21 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1651150 -2.1651150 -0.8886918 -0.8886918 -0.4019416 -0.4019416 -0.1692707 -0.1692707 0.1110790 0.1110790 0.4783036 0.4783036 0.5820164 0.5820164 0.5903845 0.5903845 1.0065949 1.0065949 1.0233305 1.0233305 1.0273058 1.0273058 1.1083128 1.1083128 1.1221341 1.1221341 1.1500441 1.1500441 1.1597744 1.1597744 1.2415263 1.2415263 1.3704244 1.3704244 1.4003921 1.4003921 1.6088031 1.6088031 1.8168008 1.8168008 1.8425106 1.8425106 2.0337423 2.0337423 2.1453022 2.1453022 2.2257773 2.2257773 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.560 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= 0.60000 0.50000 -0.50000 22 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1652701 -2.1652701 -0.8882005 -0.8882005 -0.4010732 -0.4010732 -0.1691394 -0.1691394 0.1103932 0.1103932 0.4790842 0.4790842 0.5806471 0.5806471 0.5934753 0.5934753 1.0045887 1.0045887 1.0235714 1.0235714 1.0269167 1.0269167 1.1081337 1.1081337 1.1224556 1.1224556 1.1499336 1.1499336 1.1596051 1.1596051 1.2433138 1.2433138 1.3703389 1.3703389 1.3950963 1.3950963 1.6022416 1.6022416 1.8108420 1.8108420 1.8355638 1.8355638 2.0376596 2.0376596 2.1582626 2.1582626 2.2322713 2.2322713 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.580 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= 0.65000 0.55000 -0.55000 23 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1663250 -2.1663250 -0.8849989 -0.8849989 -0.3948803 -0.3948803 -0.1681609 -0.1681609 0.1036355 0.1036355 0.4877869 0.4877869 0.5830449 0.5830449 0.6019492 0.6019492 0.9887131 0.9887131 1.0237097 1.0237097 1.0281958 1.0281958 1.1078715 1.1078715 1.1235604 1.1235604 1.1491768 1.1491768 1.1589148 1.1589148 1.2529120 1.2529120 1.3555003 1.3555003 1.3796992 1.3796992 1.5621789 1.5621789 1.7654816 1.7654816 1.7959184 1.7959184 2.0709348 2.0709348 2.2140833 2.2140833 2.2896627 2.2896627 2.4659330 2.4659330 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.600 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= 0.70000 0.60000 -0.60000 24 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1681667 -2.1681667 -0.8795111 -0.8795111 -0.3833892 -0.3833892 -0.1664245 -0.1664245 0.0909387 0.0909387 0.5038459 0.5038459 0.5896451 0.5896451 0.6146881 0.6146881 0.9664904 0.9664904 1.0231126 1.0231126 1.0299237 1.0299237 1.1081265 1.1081265 1.1253728 1.1253728 1.1477926 1.1477926 1.1583398 1.1583398 1.2644508 1.2644508 1.3289519 1.3289519 1.3566371 1.3566371 1.5017550 1.5017550 1.6992422 1.6992422 1.7385563 1.7385563 2.1285004 2.1285004 2.2845260 2.2845260 2.3660716 2.3660716 2.4004352 2.4004352 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.620 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= 0.75000 0.65000 -0.65000 25 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1706009 -2.1706009 -0.8721435 -0.8721435 -0.3666231 -0.3666231 -0.1640310 -0.1640310 0.0725606 0.0725606 0.5261966 0.5261966 0.6002523 0.6002523 0.6306860 0.6306860 0.9441427 0.9441427 1.0225147 1.0225147 1.0315964 1.0315964 1.1088710 1.1088710 1.1279301 1.1279301 1.1459101 1.1459101 1.1581473 1.1581473 1.2726534 1.2726534 1.2965971 1.2965971 1.3280555 1.3280555 1.4322068 1.4322068 1.6261374 1.6261374 1.6729795 1.6729795 2.1879209 2.1879209 2.2780845 2.2780845 2.4043348 2.4043348 2.4873747 2.4873747 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.650 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= 0.80000 0.70000 -0.70000 26 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1733770 -2.1733770 -0.8638958 -0.8638958 -0.3447823 -0.3447823 -0.1612294 -0.1612294 0.0488243 0.0488243 0.5534117 0.5534117 0.6142798 0.6142798 0.6486527 0.6486527 0.9263647 0.9263647 1.0221484 1.0221484 1.0332782 1.0332782 1.1092440 1.1092440 1.1309010 1.1309010 1.1443534 1.1443534 1.1584182 1.1584182 1.2626871 1.2626871 1.2744920 1.2744920 1.2981196 1.2981196 1.3610432 1.3610432 1.5527526 1.5527526 1.6041469 1.6041469 2.1476104 2.1476104 2.3248323 2.3248323 2.4980148 2.4980148 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.670 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= 0.85000 0.75000 -0.75000 27 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.1762169 -2.1762169 -0.8554117 -0.8554117 -0.3181886 -0.3181886 -0.1582061 -0.1582061 0.0201972 0.0201972 0.5837328 0.5837328 0.6308059 0.6308059 0.6668737 0.6668737 0.9162047 0.9162047 1.0221846 1.0221846 1.0349559 1.0349559 1.1069354 1.1069354 1.1330316 1.1330316 1.1456810 1.1456810 1.1592499 1.1592499 1.2320606 1.2320606 1.2580103 1.2580103 1.2797092 1.2797092 1.2950909 1.2950909 1.4825522 1.4825522 1.5352254 1.5352254 2.0707307 2.0707307 2.4277319 2.4277319 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.700 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= 0.90000 0.80000 -0.80000 28 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.1788447 -2.1788447 -0.8476562 -0.8476562 -0.2875250 -0.2875250 -0.1552374 -0.1552374 -0.0125586 -0.0125586 0.6149584 0.6149584 0.6486061 0.6486061 0.6831091 0.6831091 0.9151262 0.9151262 1.0227527 1.0227527 1.0363719 1.0363719 1.0986459 1.0986459 1.1347703 1.1347703 1.1501410 1.1501410 1.1607556 1.1607556 1.2065152 1.2065152 1.2203323 1.2203323 1.2505793 1.2505793 1.2715973 1.2715973 1.4180316 1.4180316 1.4687299 1.4687299 2.0045014 2.0045014 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.720 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= 0.95000 0.85000 -0.85000 29 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.1810125 -2.1810125 -0.8412649 -0.8412649 -0.2540181 -0.2540181 -0.1525159 -0.1525159 -0.0481082 -0.0481082 0.6440767 0.6440767 0.6663076 0.6663076 0.6947610 0.6947610 0.9228246 0.9228246 1.0238570 1.0238570 1.0367078 1.0367078 1.0840641 1.0840641 1.1373276 1.1373276 1.1513938 1.1513938 1.1603609 1.1603609 1.1729951 1.1729951 1.1964830 1.1964830 1.2354648 1.2354648 1.2640595 1.2640595 1.3618342 1.3618342 1.4069229 1.4069229 1.9546276 1.9546276 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.750 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 0.90000 -0.90000 30 MATRIX SIZE= 104 WEIGHT=12.00 EIGENVALUES ARE: -2.1825211 -2.1825211 -0.8367621 -0.8367621 -0.2203869 -0.2203869 -0.1500448 -0.1500448 -0.0837712 -0.0837712 0.6664504 0.6664504 0.6830119 0.6830119 0.6996137 0.6996137 0.9362278 0.9362278 1.0251361 1.0251361 1.0341418 1.0341418 1.0682277 1.0682277 1.1340390 1.1340390 1.1424874 1.1424874 1.1484322 1.1484322 1.1548609 1.1548609 1.2060330 1.2060330 1.2357105 1.2357105 1.2586827 1.2586827 1.3191935 1.3191935 1.3520085 1.3520085 1.9224141 1.9224141 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.20000 0.00000 0.00000 31 MATRIX SIZE= 104 WEIGHT= 6.00 EIGENVALUES ARE: -2.1813999 -2.1813999 -0.8400487 -0.8400487 -0.2422778 -0.2422778 -0.1583307 -0.1583307 -0.0559339 -0.0559339 0.6314474 0.6314474 0.6892820 0.6892820 0.7070071 0.7070071 0.9166896 0.9166896 1.0320965 1.0320965 1.0395342 1.0395342 1.0750204 1.0750204 1.1294433 1.1294433 1.1473657 1.1473657 1.1620490 1.1620490 1.1634484 1.1634484 1.1932659 1.1932659 1.2586630 1.2586630 1.2694707 1.2694707 1.3043209 1.3043209 1.4166464 1.4166464 1.9449536 1.9449536 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.800 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= 0.25000 0.05000 -0.05000 32 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.1799317 -2.1799317 -0.8442619 -0.8442619 -0.2660205 -0.2660205 -0.1623483 -0.1623483 -0.0313096 -0.0313096 0.6084387 0.6084387 0.6854282 0.6854282 0.7044750 0.7044750 0.9028131 0.9028131 1.0325721 1.0325721 1.0417338 1.0417338 1.0868081 1.0868081 1.1246202 1.1246202 1.1463570 1.1463570 1.1688414 1.1688414 1.1829699 1.1829699 1.2035067 1.2035067 1.2626479 1.2626479 1.2752185 1.2752185 1.3383225 1.3383225 1.4665962 1.4665962 1.9763068 1.9763068 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.820 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= 0.30000 0.10000 -0.10000 33 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.1778268 -2.1778268 -0.8501693 -0.8501693 -0.2938032 -0.2938032 -0.1653630 -0.1653630 -0.0048269 -0.0048269 0.5867513 0.5867513 0.6740047 0.6740047 0.6936925 0.6936925 0.8949100 0.8949100 1.0310896 1.0310896 1.0410140 1.0410140 1.0996497 1.0996497 1.1221029 1.1221029 1.1409262 1.1409262 1.1706544 1.1706544 1.2038135 1.2038135 1.2368152 1.2368152 1.2751616 1.2751616 1.2880650 1.2880650 1.3911153 1.3911153 1.5231835 1.5231835 2.0250874 2.0250874 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.35000 0.15000 -0.15000 34 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.1752787 -2.1752787 -0.8575423 -0.8575423 -0.3210814 -0.3210814 -0.1683882 -0.1683882 0.0201061 0.0201061 0.5674094 0.5674094 0.6569323 0.6569323 0.6781218 0.6781218 0.8958924 0.8958924 1.0295891 1.0295891 1.0391425 1.0391425 1.1069890 1.1069890 1.1214763 1.1214763 1.1380001 1.1380001 1.1671601 1.1671601 1.2211780 1.2211780 1.2835377 1.2835377 1.3001660 1.3001660 1.3107506 1.3107506 1.4537125 1.4537125 1.5833738 1.5833738 2.0899154 2.0899154 2.4059286 2.4059286 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.40000 0.20000 -0.20000 35 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1725282 -2.1725282 -0.8655356 -0.8655356 -0.3455978 -0.3455978 -0.1715851 -0.1715851 0.0419093 0.0419093 0.5504680 0.5504680 0.6380228 0.6380228 0.6605085 0.6605085 0.9061688 0.9061688 1.0286868 1.0286868 1.0369171 1.0369171 1.1084835 1.1084835 1.1211762 1.1211762 1.1388008 1.1388008 1.1628340 1.1628340 1.2388107 1.2388107 1.3045443 1.3045443 1.3321583 1.3321583 1.3673654 1.3673654 1.5237268 1.5237268 1.6447054 1.6447054 2.1639227 2.1639227 2.3045419 2.3045419 2.4357665 2.4357665 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.45000 0.25000 -0.25000 36 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1698425 -2.1698425 -0.8733405 -0.8733405 -0.3661882 -0.3661882 -0.1747619 -0.1747619 0.0599438 0.0599438 0.5354127 0.5354127 0.6212974 0.6212974 0.6427374 0.6427374 0.9245179 0.9245179 1.0282777 1.0282777 1.0346755 1.0346755 1.1075120 1.1075120 1.1202289 1.1202289 1.1411643 1.1411643 1.1596972 1.1596972 1.2529814 1.2529814 1.3157373 1.3157373 1.3644977 1.3644977 1.4378096 1.4378096 1.5988279 1.5988279 1.7048510 1.7048510 2.1772986 2.1772986 2.2808507 2.2808507 2.3504178 2.3504178 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.900 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 0.30000 -0.30000 37 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1674906 -2.1674906 -0.8802418 -0.8802418 -0.3822415 -0.3822415 -0.1776318 -0.1776318 0.0741136 0.0741136 0.5218122 0.5218122 0.6093694 0.6093694 0.6265716 0.6265716 0.9483064 0.9483064 1.0278721 1.0278721 1.0325475 1.0325475 1.1059426 1.1059426 1.1192493 1.1192493 1.1432542 1.1432542 1.1579114 1.1579114 1.2586498 1.2586498 1.3281065 1.3281065 1.3916236 1.3916236 1.5088982 1.5088982 1.6754475 1.6754475 1.7612170 1.7612170 2.1051244 2.1051244 2.2593547 2.2593547 2.3619531 2.3619531 2.4739136 2.4739136 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.930 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= 0.55000 0.35000 -0.35000 38 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1657144 -2.1657144 -0.8854622 -0.8854622 -0.3934228 -0.3934228 -0.1798722 -0.1798722 0.0845322 0.0845322 0.5100276 0.5100276 0.6019546 0.6019546 0.6146808 0.6146808 0.9735088 0.9735088 1.0266138 1.0266138 1.0305054 1.0305054 1.1043515 1.1043515 1.1186539 1.1186539 1.1446966 1.1446966 1.1571094 1.1571094 1.2559848 1.2559848 1.3421496 1.3421496 1.4090068 1.4090068 1.5719510 1.5719510 1.7467906 1.7467906 1.8097213 1.8097213 2.0412672 2.0412672 2.1978031 2.1978031 2.3406207 2.3406207 2.4895758 2.4895758 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.950 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= 0.60000 0.40000 -0.40000 39 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1647010 -2.1647010 -0.8884455 -0.8884455 -0.3995716 -0.3995716 -0.1812230 -0.1812230 0.0912499 0.0912499 0.5012510 0.5012510 0.5948773 0.5948773 0.6119084 0.6119084 0.9950647 0.9950647 1.0231461 1.0231461 1.0283268 1.0283268 1.1030259 1.1030259 1.1186750 1.1186750 1.1455135 1.1455135 1.1568118 1.1568118 1.2514323 1.2514323 1.3540694 1.3540694 1.4132399 1.4132399 1.6137676 1.6137676 1.7994948 1.7994948 1.8419795 1.8419795 2.0015569 2.0015569 2.1644866 2.1644866 2.2788927 2.2788927 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.970 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= 0.65000 0.45000 -0.45000 40 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1645587 -2.1645587 -0.8888770 -0.8888770 -0.4006221 -0.4006221 -0.1815077 -0.1815077 0.0941004 0.0941004 0.4968977 0.4968977 0.5885346 0.5885346 0.6175742 0.6175742 1.0052137 1.0052137 1.0186690 1.0186690 1.0262767 1.0262767 1.1023876 1.1023876 1.1194402 1.1194402 1.1457076 1.1457076 1.1564744 1.1564744 1.2519415 1.2519415 1.3602618 1.3602618 1.4034825 1.4034825 1.6180957 1.6180957 1.8165104 1.8165104 1.8461791 1.8461791 1.9945847 1.9945847 2.1735173 2.1735173 2.2547508 2.2547508 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.990 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= 0.70000 0.50000 -0.50000 41 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1653028 -2.1653028 -0.8867515 -0.8867515 -0.3965719 -0.3965719 -0.1806546 -0.1806546 0.0926884 0.0926884 0.4980865 0.4980865 0.5855540 0.5855540 0.6283475 0.6283475 0.9917458 0.9917458 1.0223554 1.0223554 1.0259575 1.0259575 1.1027296 1.1027296 1.1208715 1.1208715 1.1453172 1.1453172 1.1558486 1.1558486 1.2595047 1.2595047 1.3578743 1.3578743 1.3825293 1.3825293 1.5833138 1.5833138 1.7902053 1.7902053 1.8204620 1.8204620 2.0199464 2.0199464 2.2153791 2.2153791 2.2920018 2.2920018 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) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.75000 0.55000 -0.55000 42 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1668535 -2.1668535 -0.8822218 -0.8822218 -0.3874571 -0.3874571 -0.1786730 -0.1786730 0.0865025 0.0865025 0.5054201 0.5054201 0.5867466 0.5867466 0.6424358 0.6424358 0.9691861 0.9691861 1.0215833 1.0215833 1.0302160 1.0302160 1.1039166 1.1039166 1.1228106 1.1228106 1.1444918 1.1444918 1.1551626 1.1551626 1.2701552 1.2701552 1.3414935 1.3414935 1.3590267 1.3590267 1.5254325 1.5254325 1.7307946 1.7307946 1.7752242 1.7752242 2.0717950 2.0717950 2.2705105 2.2705105 2.3701748 2.3701748 2.4455168 2.4455168 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.030 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= 0.80000 0.60000 -0.60000 43 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1690469 -2.1690469 -0.8758149 -0.8758149 -0.3734274 -0.3734274 -0.1756853 -0.1756853 0.0750861 0.0750861 0.5189330 0.5189330 0.5922416 0.5922416 0.6583226 0.6583226 0.9456964 0.9456964 1.0201070 1.0201070 1.0339502 1.0339502 1.1057513 1.1057513 1.1250470 1.1250470 1.1435062 1.1435062 1.1546861 1.1546861 1.2784119 1.2784119 1.3105878 1.3105878 1.3381802 1.3381802 1.4590621 1.4590621 1.6572724 1.6572724 1.7189269 1.7189269 2.1409314 2.1409314 2.2828925 2.2828925 2.4022008 2.4022008 2.4928751 2.4928751 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= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.85000 0.65000 -0.65000 44 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1716552 -2.1716552 -0.8682414 -0.8682414 -0.3547882 -0.3547882 -0.1718780 -0.1718780 0.0582280 0.0582280 0.5381149 0.5381149 0.6018386 0.6018386 0.6742915 0.6742915 0.9260321 0.9260321 1.0189976 1.0189976 1.0369214 1.0369214 1.1079978 1.1079978 1.1268119 1.1268119 1.1432108 1.1432108 1.1546643 1.1546643 1.2754997 1.2754997 1.2815414 1.2815414 1.3137582 1.3137582 1.3931901 1.3931901 1.5814105 1.5814105 1.6566352 1.6566352 2.1853129 2.1853129 2.2512508 2.2512508 2.4694626 2.4694626 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) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.90000 0.70000 -0.70000 45 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1744150 -2.1744150 -0.8602437 -0.8602437 -0.3321055 -0.3321055 -0.1674615 -0.1674615 0.0361500 0.0361500 0.5619647 0.5619647 0.6150249 0.6150249 0.6882337 0.6882337 0.9132782 0.9132782 1.0186059 1.0186059 1.0393041 1.0393041 1.1094484 1.1094484 1.1269667 1.1269667 1.1453305 1.1453305 1.1555718 1.1555718 1.2439269 1.2439269 1.2702290 1.2702290 1.2905078 1.2905078 1.3344925 1.3344925 1.5094642 1.5094642 1.5916784 1.5916784 2.1163110 2.1163110 2.3388478 2.3388478 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.090 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= 0.95000 0.75000 -0.75000 46 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.1770554 -2.1770554 -0.8526253 -0.8526253 -0.3063818 -0.3063818 -0.1626290 -0.1626290 0.0096694 0.0096694 0.5890512 0.5890512 0.6309675 0.6309675 0.6976674 0.6976674 0.9089612 0.9089612 1.0192466 1.0192466 1.0408247 1.0408247 1.1061174 1.1061174 1.1279041 1.1279041 1.1493823 1.1493823 1.1586695 1.1586695 1.2154381 1.2154381 1.2393482 1.2393482 1.2788015 1.2788015 1.2887390 1.2887390 1.4456068 1.4456068 1.5267782 1.5267782 2.0469728 2.0469728 2.4484959 2.4484959 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.110 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= 1.00000 0.80000 -0.80000 47 MATRIX SIZE= 106 WEIGHT=12.00 EIGENVALUES ARE: -2.1793247 -2.1793247 -0.8461482 -0.8461482 -0.2793515 -0.2793515 -0.1575350 -0.1575350 -0.0195256 -0.0195256 0.6174223 0.6174223 0.6485215 0.6485215 0.7001695 0.7001695 0.9129839 0.9129839 1.0211052 1.0211052 1.0404585 1.0404585 1.0960728 1.0960728 1.1320769 1.1320769 1.1516882 1.1516882 1.1642825 1.1642825 1.1926242 1.1926242 1.2061965 1.2061965 1.2566497 1.2566497 1.2705970 1.2705970 1.3941710 1.3941710 1.4644032 1.4644032 1.9923178 1.9923178 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.30000 0.00000 0.00000 48 MATRIX SIZE= 104 WEIGHT= 6.00 EIGENVALUES ARE: -2.1787584 -2.1787584 -0.8473852 -0.8473852 -0.2773751 -0.2773751 -0.1702456 -0.1702456 -0.0191494 -0.0191494 0.5901711 0.5901711 0.6912077 0.6912077 0.7134635 0.7134635 0.8856818 0.8856818 1.0369568 1.0369568 1.0464535 1.0464535 1.0903830 1.0903830 1.1173943 1.1173943 1.1344369 1.1344369 1.1781228 1.1781228 1.1983252 1.1983252 1.2125709 1.2125709 1.2852729 1.2852729 1.2873630 1.2873630 1.3341726 1.3341726 1.5096521 1.5096521 2.0004524 2.0004524 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.160 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= 0.35000 0.05000 -0.05000 49 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.1769363 -2.1769363 -0.8523256 -0.8523256 -0.2961382 -0.2961382 -0.1758564 -0.1758564 -0.0044906 -0.0044906 0.5762430 0.5762430 0.6889865 0.6889865 0.7124159 0.7124159 0.8732823 0.8732823 1.0376551 1.0376551 1.0470692 1.0470692 1.0987821 1.0987821 1.1135531 1.1135531 1.1270164 1.1270164 1.1816832 1.1816832 1.2127227 1.2127227 1.2361027 1.2361027 1.3000339 1.3000339 1.3083229 1.3083229 1.3665752 1.3665752 1.5584131 1.5584131 2.0417340 2.0417340 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.180 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= 0.40000 0.10000 -0.10000 50 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.1746325 -2.1746325 -0.8586763 -0.8586763 -0.3180504 -0.3180504 -0.1801524 -0.1801524 0.0099931 0.0099931 0.5671182 0.5671182 0.6791101 0.6791101 0.7028307 0.7028307 0.8696205 0.8696205 1.0367014 1.0367014 1.0450613 1.0450613 1.1045079 1.1045079 1.1130712 1.1130712 1.1252986 1.1252986 1.1785757 1.1785757 1.2193340 1.2193340 1.2785846 1.2785846 1.3226936 1.3226936 1.3353619 1.3353619 1.4181245 1.4181245 1.6101041 1.6101041 2.0993480 2.0993480 2.4046707 2.4046707 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.45000 0.15000 -0.15000 51 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1720631 -2.1720631 -0.8657735 -0.8657735 -0.3397711 -0.3397711 -0.1842113 -0.1842113 0.0231669 0.0231669 0.5618285 0.5618285 0.6639256 0.6639256 0.6882523 0.6882523 0.8758402 0.8758402 1.0355204 1.0355204 1.0422465 1.0422465 1.1053395 1.1053395 1.1128425 1.1128425 1.1290601 1.1290601 1.1718500 1.1718500 1.2276242 1.2276242 1.3212334 1.3212334 1.3522600 1.3522600 1.3719543 1.3719543 1.4813623 1.4813623 1.6627971 1.6627971 2.1682214 2.1682214 2.3016019 2.3016019 2.4190678 2.4190678 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.20000 -0.20000 52 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1694756 -2.1694756 -0.8729821 -0.8729821 -0.3592769 -0.3592769 -0.1883715 -0.1883715 0.0347927 0.0347927 0.5581642 0.5581642 0.6477406 0.6477406 0.6716631 0.6716631 0.8913526 0.8913526 1.0345100 1.0345100 1.0393150 1.0393150 1.1041123 1.1041123 1.1127201 1.1127201 1.1333689 1.1333689 1.1653159 1.1653159 1.2371978 1.2371978 1.3407172 1.3407172 1.3899391 1.3899391 1.4259047 1.4259047 1.5531495 1.5531495 1.7150964 1.7150964 2.1786242 2.1786242 2.2723740 2.2723740 2.3413032 2.3413032 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.240 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= 0.55000 0.25000 -0.25000 53 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1671265 -2.1671265 -0.8795458 -0.8795458 -0.3754011 -0.3754011 -0.1924236 -0.1924236 0.0450700 0.0450700 0.5531288 0.5531288 0.6349323 0.6349323 0.6556594 0.6556594 0.9143959 0.9143959 1.0332719 1.0332719 1.0365581 1.0365581 1.1018050 1.1018050 1.1132634 1.1132634 1.1362374 1.1362374 1.1605181 1.1605181 1.2455650 1.2455650 1.3474219 1.3474219 1.4185521 1.4185521 1.4930886 1.4930886 1.6296417 1.6296417 1.7658601 1.7658601 2.0971802 2.0971802 2.2608255 2.2608255 2.3558778 2.3558778 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.260 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 0.30000 -0.30000 54 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1652551 -2.1652551 -0.8848127 -0.8848127 -0.3874794 -0.3874794 -0.1959118 -0.1959118 0.0542238 0.0542238 0.5447966 0.5447966 0.6255625 0.6255625 0.6448864 0.6448864 0.9419920 0.9419920 1.0309804 1.0309804 1.0338601 1.0338601 1.0989398 1.0989398 1.1141731 1.1141731 1.1378298 1.1378298 1.1575049 1.1575049 1.2509008 1.2509008 1.3486018 1.3486018 1.4354770 1.4354770 1.5586226 1.5586226 1.7046235 1.7046235 1.8130861 1.8130861 2.0228212 2.0228212 2.2069879 2.2069879 2.3896379 2.3896379 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.280 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= 0.65000 0.35000 -0.35000 55 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1640566 -2.1640566 -0.8882092 -0.8882092 -0.3951310 -0.3951310 -0.1983426 -0.1983426 0.0622858 0.0622858 0.5343677 0.5343677 0.6146850 0.6146850 0.6450677 0.6450677 0.9699765 0.9699765 1.0264500 1.0264500 1.0305533 1.0305533 1.0961445 1.0961445 1.1153056 1.1153056 1.1386388 1.1386388 1.1557341 1.1557341 1.2538289 1.2538289 1.3477429 1.3477429 1.4384237 1.4384237 1.6079339 1.6079339 1.7675327 1.7675327 1.8508195 1.8508195 1.9705196 1.9705196 2.1794009 2.1794009 2.3446140 2.3446140 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.310 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= 0.70000 0.40000 -0.40000 56 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1636583 -2.1636583 -0.8893867 -0.8893867 -0.3981574 -0.3981574 -0.1993166 -0.1993166 0.0689435 0.0689435 0.5246875 0.5246875 0.6038469 0.6038469 0.6531548 0.6531548 0.9934582 0.9934582 1.0167811 1.0167811 1.0273476 1.0273476 1.0945492 1.0945492 1.1166971 1.1166971 1.1389813 1.1389813 1.1545582 1.1545582 1.2580944 1.2580944 1.3463904 1.3463904 1.4268167 1.4268167 1.6213053 1.6213053 1.8044014 1.8044014 1.8684870 1.8684870 1.9539555 1.9539555 2.1890680 2.1890680 2.2969593 2.2969593 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.330 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= 0.75000 0.45000 -0.45000 57 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1641029 -2.1641029 -0.8882453 -0.8882453 -0.3964907 -0.3964907 -0.1985858 -0.1985858 0.0734995 0.0734995 0.5180887 0.5180887 0.5956575 0.5956575 0.6649688 0.6649688 0.9957470 0.9957470 1.0141701 1.0141701 1.0246186 1.0246186 1.0949852 1.0949852 1.1184854 1.1184854 1.1389641 1.1389641 1.1535340 1.1535340 1.2669488 1.2669488 1.3441462 1.3441462 1.4029724 1.4029724 1.5917409 1.5917409 1.8066617 1.8066617 1.8591203 1.8591203 1.9695601 1.9695601 2.2248150 2.2248150 2.3030967 2.3030967 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.350 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= 0.80000 0.50000 -0.50000 58 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1653430 -2.1653430 -0.8848766 -0.8848766 -0.3901867 -0.3901867 -0.1960657 -0.1960657 0.0749468 0.0749468 0.5160746 0.5160746 0.5911714 0.5911714 0.6781354 0.6781354 0.9737143 0.9737143 1.0206809 1.0206809 1.0258682 1.0258682 1.0970019 1.0970019 1.1208355 1.1208355 1.1386953 1.1386953 1.1525426 1.1525426 1.2786319 1.2786319 1.3396924 1.3396924 1.3713443 1.3713443 1.5374459 1.5374459 1.7747795 1.7747795 1.8174757 1.8174757 2.0119825 2.0119825 2.2663952 2.2663952 2.3719220 2.3719220 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.370 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= 0.85000 0.55000 -0.55000 59 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1672472 -2.1672472 -0.8796613 -0.8796613 -0.3794658 -0.3794658 -0.1918233 -0.1918233 0.0721367 0.0721367 0.5195535 0.5195535 0.5908685 0.5908685 0.6907435 0.6907435 0.9498995 0.9498995 1.0188851 1.0188851 1.0324758 1.0324758 1.0998544 1.0998544 1.1237070 1.1237070 1.1384355 1.1384355 1.1516294 1.1516294 1.2876341 1.2876341 1.3291425 1.3291425 1.3387848 1.3387848 1.4766915 1.4766915 1.7128296 1.7128296 1.7639254 1.7639254 2.0734510 2.0734510 2.2944060 2.2944060 2.4285721 2.4285721 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.390 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= 0.90000 0.60000 -0.60000 60 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1696170 -2.1696170 -0.8731730 -0.8731730 -0.3647735 -0.3647735 -0.1860413 -0.1860413 0.0641053 0.0641053 0.5289558 0.5289558 0.5949221 0.5949221 0.7008686 0.7008686 0.9293394 0.9293394 1.0172222 1.0172222 1.0371436 1.0371436 1.1033755 1.1033755 1.1262390 1.1262390 1.1389736 1.1389736 1.1509699 1.1509699 1.2889981 1.2889981 1.2990476 1.2990476 1.3208634 1.3208634 1.4196650 1.4196650 1.6361374 1.6361374 1.7080545 1.7080545 2.1486508 2.1486508 2.2535195 2.2535195 2.4597580 2.4597580 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.420 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= 0.95000 0.65000 -0.65000 61 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1722113 -2.1722113 -0.8660377 -0.8660377 -0.3468546 -0.3468546 -0.1789749 -0.1789749 0.0504671 0.0504671 0.5442079 0.5442079 0.6032492 0.6032492 0.7065060 0.7065060 0.9149691 0.9149691 1.0164829 1.0164829 1.0402399 1.0402399 1.1074374 1.1074374 1.1263648 1.1263648 1.1419235 1.1419235 1.1511161 1.1511161 1.2652555 1.2652555 1.2822121 1.2822121 1.3030444 1.3030444 1.3708822 1.3708822 1.5605012 1.5605012 1.6488093 1.6488093 2.1742891 2.1742891 2.2426954 2.2426954 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= 1.00000 0.70000 -0.70000 62 MATRIX SIZE= 100 WEIGHT=12.00 EIGENVALUES ARE: -2.1747730 -2.1747730 -0.8589626 -0.8589626 -0.3268539 -0.3268539 -0.1709724 -0.1709724 0.0317495 0.0317495 0.5646715 0.5646715 0.6154920 0.6154920 0.7057966 0.7057966 0.9081824 0.9081824 1.0170775 1.0170775 1.0417635 1.0417635 1.1100421 1.1100421 1.1248995 1.1248995 1.1465237 1.1465237 1.1534454 1.1534454 1.2368539 1.2368539 1.2623142 1.2623142 1.2889772 1.2889772 1.3286052 1.3286052 1.4948165 1.4948165 1.5876205 1.5876205 2.1050059 2.1050059 2.3419818 2.3419818 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.40000 0.00000 0.00000 63 MATRIX SIZE= 104 WEIGHT= 6.00 EIGENVALUES ARE: -2.1754128 -2.1754128 -0.8561176 -0.8561176 -0.3051374 -0.3051374 -0.1847037 -0.1847037 -0.0032129 -0.0032129 0.5720990 0.5720990 0.6968669 0.6968669 0.7231570 0.7231570 0.8547676 0.8547676 1.0407711 1.0407711 1.0506181 1.0506181 1.0997184 1.0997184 1.1099749 1.1099749 1.1161770 1.1161770 1.1889886 1.1889886 1.2235665 1.2235665 1.2488773 1.2488773 1.3270790 1.3270790 1.3311344 1.3311344 1.3704143 1.3704143 1.5976767 1.5976767 2.0750048 2.0750048 2.4667856 2.4667856 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.45000 0.05000 -0.05000 64 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.1733957 -2.1733957 -0.8613246 -0.8613246 -0.3192896 -0.3192896 -0.1912898 -0.1912898 -0.0017124 -0.0017124 0.5740525 0.5740525 0.6967033 0.6967033 0.7235077 0.7235077 0.8445464 0.8445464 1.0413173 1.0413173 1.0500835 1.0500835 1.0996117 1.0996117 1.1090083 1.1090083 1.1151014 1.1151014 1.1893174 1.1893174 1.2262906 1.2262906 1.2789664 1.2789664 1.3533484 1.3533484 1.3622601 1.3622601 1.4020432 1.4020432 1.6387494 1.6387494 2.1245823 2.1245823 2.3891627 2.3891627 2.4739822 2.4739822 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.500 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= 0.50000 0.10000 -0.10000 65 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1710733 -2.1710733 -0.8674090 -0.8674090 -0.3358737 -0.3358737 -0.1968366 -0.1968366 0.0005249 0.0005249 0.5800892 0.5800892 0.6892317 0.6892317 0.7151343 0.7151343 0.8449396 0.8449396 1.0406858 1.0406858 1.0474116 1.0474116 1.0992287 1.0992287 1.1063478 1.1063478 1.1216968 1.1216968 1.1835332 1.1835332 1.2268129 1.2268129 1.3209002 1.3209002 1.3818559 1.3818559 1.3993599 1.3993599 1.4501360 1.4501360 1.6808581 1.6808581 2.1865266 2.1865266 2.2930040 2.2930040 2.3997045 2.3997045 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.520 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= 0.55000 0.15000 -0.15000 66 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1686679 -2.1686679 -0.8737498 -0.8737498 -0.3524332 -0.3524332 -0.2024263 -0.2024263 0.0043330 0.0043330 0.5867649 0.5867649 0.6776280 0.6776280 0.7019604 0.7019604 0.8558042 0.8558042 1.0394922 1.0394922 1.0442886 1.0442886 1.0984194 1.0984194 1.1060507 1.1060507 1.1271810 1.1271810 1.1749779 1.1749779 1.2298327 1.2298327 1.3601871 1.3601871 1.4129898 1.4129898 1.4377347 1.4377347 1.5124059 1.5124059 1.7244549 1.7244549 2.1785442 2.1785442 2.2734495 2.2734495 2.3314602 2.3314602 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.540 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= 0.60000 0.20000 -0.20000 67 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1664155 -2.1664155 -0.8796869 -0.8796869 -0.3672873 -0.3672873 -0.2082008 -0.2082008 0.0102169 0.0102169 0.5892748 0.5892748 0.6664748 0.6664748 0.6882864 0.6882864 0.8758908 0.8758908 1.0375156 1.0375156 1.0414679 1.0414679 1.0964976 1.0964976 1.1074513 1.1074513 1.1305592 1.1305592 1.1669855 1.1669855 1.2345780 1.2345780 1.3768001 1.3768001 1.4475623 1.4475623 1.4831644 1.4831644 1.5841877 1.5841877 1.7705342 1.7705342 2.0879089 2.0879089 2.2615093 2.2615093 2.3531687 2.3531687 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.560 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= 0.65000 0.25000 -0.25000 68 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1645436 -2.1645436 -0.8846678 -0.8846678 -0.3793986 -0.3793986 -0.2135661 -0.2135661 0.0181504 0.0181504 0.5837866 0.5837866 0.6554821 0.6554821 0.6814189 0.6814189 0.9031570 0.9031570 1.0345231 1.0345231 1.0385183 1.0385183 1.0936689 1.0936689 1.1094844 1.1094844 1.1321156 1.1321156 1.1609832 1.1609832 1.2396843 1.2396843 1.3749952 1.3749952 1.4670954 1.4670954 1.5399966 1.5399966 1.6583275 1.6583275 1.8191745 1.8191745 2.0054753 2.0054753 2.2159380 2.2159380 2.3966163 2.3966163 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.580 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= 0.70000 0.30000 -0.30000 69 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1632453 -2.1632453 -0.8881608 -0.8881608 -0.3881211 -0.3881211 -0.2176443 -0.2176443 0.0276836 0.0276836 0.5718781 0.5718781 0.6410365 0.6410365 0.6857538 0.6857538 0.9344492 0.9344492 1.0302703 1.0302703 1.0340252 1.0340252 1.0905066 1.0905066 1.1115934 1.1115934 1.1325216 1.1325216 1.1569916 1.1569916 1.2450489 1.2450489 1.3645084 1.3645084 1.4700219 1.4700219 1.5895490 1.5895490 1.7258400 1.7258400 1.8660509 1.8660509 1.9429717 1.9429717 2.1945468 2.1945468 2.3851724 2.3851724 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.75000 0.35000 -0.35000 70 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1626576 -2.1626576 -0.8898239 -0.8898239 -0.3930649 -0.3930649 -0.2196591 -0.2196591 0.0380724 0.0380724 0.5579121 0.5579121 0.6259851 0.6259851 0.6957233 0.6957233 0.9655204 0.9655204 1.0211092 1.0211092 1.0293274 1.0293274 1.0882051 1.0882051 1.1136161 1.1136161 1.1324785 1.1324785 1.1543990 1.1543990 1.2524230 1.2524230 1.3517010 1.3517010 1.4575521 1.4575521 1.6097780 1.6097780 1.7757923 1.7757923 1.8893459 1.8893459 1.9282206 1.9282206 2.2046751 2.2046751 2.3390923 2.3390923 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.620 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= 0.80000 0.40000 -0.40000 71 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1628429 -2.1628429 -0.8895109 -0.8895109 -0.3940265 -0.3940265 -0.2190989 -0.2190989 0.0483110 0.0483110 0.5449423 0.5449423 0.6126886 0.6126886 0.7068895 0.7068895 0.9911549 0.9911549 1.0053671 1.0053671 1.0256733 1.0256733 1.0879730 1.0879730 1.1156881 1.1156881 1.1324637 1.1324637 1.1525692 1.1525692 1.2643150 1.2643150 1.3400965 1.3400965 1.4325919 1.4325919 1.5882552 1.5882552 1.7997873 1.7997873 1.8996622 1.8996622 1.9407920 1.9407920 2.2339232 2.2339232 2.3193846 2.3193846 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.640 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= 0.85000 0.45000 -0.45000 72 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1637820 -2.1637820 -0.8872909 -0.8872909 -0.3909899 -0.3909899 -0.2157527 -0.2157527 0.0571273 0.0571273 0.5347294 0.5347294 0.6023689 0.6023689 0.7166708 0.7166708 0.9812487 0.9812487 1.0126951 1.0126951 1.0226613 1.0226613 1.0898867 1.0898867 1.1182271 1.1182271 1.1326503 1.1326503 1.1511257 1.1511257 1.2804927 1.2804927 1.3306540 1.3306540 1.3997262 1.3997262 1.5407473 1.5407473 1.7957994 1.7957994 1.8862360 1.8862360 1.9595774 1.9595774 2.2598209 2.2598209 2.3730739 2.3730739 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.660 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= 0.90000 0.50000 -0.50000 73 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1653756 -2.1653756 -0.8833602 -0.8833602 -0.3841494 -0.3841494 -0.2096715 -0.2096715 0.0630300 0.0630300 0.5285375 0.5285375 0.5958244 0.5958244 0.7230120 0.7230120 0.9583992 0.9583992 1.0187364 1.0187364 1.0263539 1.0263539 1.0932273 1.0932273 1.1216419 1.1216419 1.1330578 1.1330578 1.1499242 1.1499242 1.2950037 1.2950037 1.3238527 1.3238527 1.3635952 1.3635952 1.4877457 1.4877457 1.7659246 1.7659246 1.8236944 1.8236944 2.0104169 2.0104169 2.2907451 2.2907451 2.4492815 2.4492815 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.690 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= 0.95000 0.55000 -0.55000 74 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1674574 -2.1674574 -0.8781714 -0.8781714 -0.3739719 -0.3739719 -0.2011357 -0.2011357 0.0644771 0.0644771 0.5274875 0.5274875 0.5936054 0.5936054 0.7241289 0.7241289 0.9381414 0.9381414 1.0169610 1.0169610 1.0337953 1.0337953 1.0974751 1.0974751 1.1255671 1.1255671 1.1339463 1.1339463 1.1490550 1.1490550 1.2982645 1.2982645 1.3202602 1.3202602 1.3283598 1.3283598 1.4406700 1.4406700 1.7067193 1.7067193 1.7598075 1.7598075 2.0752218 2.0752218 2.2907964 2.2907964 2.4655740 2.4655740 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.710 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 0.60000 -0.60000 75 MATRIX SIZE= 100 WEIGHT=12.00 EIGENVALUES ARE: -2.1698144 -2.1698144 -0.8722055 -0.8722055 -0.3612037 -0.3612037 -0.1906379 -0.1906379 0.0603389 0.0603389 0.5325548 0.5325548 0.5960476 0.5960476 0.7187568 0.7187568 0.9232528 0.9232528 1.0160109 1.0160109 1.0382657 1.0382657 1.1024505 1.1024505 1.1274936 1.1274936 1.1369371 1.1369371 1.1490843 1.1490843 1.2898363 1.2898363 1.2961346 1.2961346 1.3152184 1.3152184 1.4034441 1.4034441 1.6304139 1.6304139 1.7046081 1.7046081 2.1520955 2.1520955 2.2405663 2.2405663 2.4864286 2.4864286 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.730 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.00000 0.00000 76 MATRIX SIZE= 100 WEIGHT= 6.00 EIGENVALUES ARE: -2.1716817 -2.1716817 -0.8653114 -0.8653114 -0.3252674 -0.3252674 -0.2000707 -0.2000707 -0.0137229 -0.0137229 0.5870129 0.5870129 0.7073426 0.7073426 0.7356043 0.7356043 0.8262198 0.8262198 1.0431084 1.0431084 1.0516865 1.0516865 1.0961093 1.0961093 1.1031590 1.1031590 1.1156803 1.1156803 1.1948424 1.1948424 1.2325105 1.2325105 1.2931346 1.2931346 1.3809375 1.3809375 1.3869363 1.3869363 1.4205802 1.4205802 1.6674571 1.6674571 2.1658669 2.1658669 2.3483260 2.3483260 2.4402710 2.4402710 2.4862762 2.4862762 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.760 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= 0.55000 0.05000 -0.05000 77 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1696504 -2.1696504 -0.8702394 -0.8702394 -0.3350344 -0.3350344 -0.2071100 -0.2071100 -0.0235010 -0.0235010 0.6029825 0.6029825 0.7104112 0.7104112 0.7369041 0.7369041 0.8187107 0.8187107 1.0432055 1.0432055 1.0501860 1.0501860 1.0947955 1.0947955 1.1000443 1.1000443 1.1201312 1.1201312 1.1935835 1.1935835 1.2322982 1.2322982 1.3224674 1.3224674 1.4123989 1.4123989 1.4192091 1.4192091 1.4544607 1.4544607 1.6967564 1.6967564 2.2202534 2.2202534 2.2738112 2.2738112 2.3778407 2.3778407 2.4458153 2.4458153 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.780 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= 0.60000 0.10000 -0.10000 78 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1674950 -2.1674950 -0.8755704 -0.8755704 -0.3467265 -0.3467265 -0.2141150 -0.2141150 -0.0285392 -0.0285392 0.6175223 0.6175223 0.7076664 0.7076664 0.7297266 0.7297266 0.8231663 0.8231663 1.0422501 1.0422501 1.0475742 1.0475742 1.0940048 1.0940048 1.1001951 1.1001951 1.1246076 1.1246076 1.1865990 1.1865990 1.2303333 1.2303333 1.3620979 1.3620979 1.4455923 1.4455923 1.4586839 1.4586839 1.4925536 1.4925536 1.7298519 1.7298519 2.1725585 2.1725585 2.2869936 2.2869936 2.3207276 2.3207276 2.4360648 2.4360648 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.800 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= 0.65000 0.15000 -0.15000 79 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1654256 -2.1654256 -0.8807020 -0.8807020 -0.3585786 -0.3585786 -0.2219245 -0.2219245 -0.0275751 -0.0275751 0.6247678 0.6247678 0.7020297 0.7020297 0.7207994 0.7207994 0.8382517 0.8382517 1.0401562 1.0401562 1.0450975 1.0450975 1.0927561 1.0927561 1.1021528 1.1021528 1.1276835 1.1276835 1.1769949 1.1769949 1.2303828 1.2303828 1.3979684 1.3979684 1.4691468 1.4691468 1.4970950 1.4970950 1.5457071 1.5457071 1.7709427 1.7709427 2.0769860 2.0769860 2.2614566 2.2614566 2.3518580 2.3518580 2.4565863 2.4565863 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= 0.70000 0.20000 -0.20000 80 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1636490 -2.1636490 -0.8851359 -0.8851359 -0.3693653 -0.3693653 -0.2298296 -0.2298296 -0.0209379 -0.0209379 0.6207876 0.6207876 0.6900504 0.6900504 0.7212329 0.7212329 0.8623739 0.8623739 1.0370189 1.0370189 1.0424123 1.0424123 1.0906927 1.0906927 1.1047512 1.1047512 1.1290416 1.1290416 1.1679880 1.1679880 1.2322606 1.2322606 1.4080375 1.4080375 1.4950124 1.4950124 1.5276181 1.5276181 1.6122554 1.6122554 1.8216409 1.8216409 1.9906765 1.9906765 2.2253670 2.2253670 2.3753967 2.3753967 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) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.75000 0.25000 -0.25000 81 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1623470 -2.1623470 -0.8884349 -0.8884349 -0.3782982 -0.3782982 -0.2362710 -0.2362710 -0.0099130 -0.0099130 0.6082314 0.6082314 0.6726125 0.6726125 0.7302571 0.7302571 0.8934065 0.8934065 1.0330593 1.0330593 1.0380416 1.0380416 1.0878955 1.0878955 1.1074178 1.1074178 1.1290163 1.1290163 1.1610716 1.1610716 1.2355828 1.2355828 1.3954667 1.3954667 1.5032698 1.5032698 1.5648199 1.5648199 1.6789029 1.6789029 1.8762760 1.8762760 1.9242316 1.9242316 2.2109125 2.2109125 2.3771962 2.3771962 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.870 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= 0.80000 0.30000 -0.30000 82 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1616554 -2.1616554 -0.8902922 -0.8902922 -0.3848353 -0.3848353 -0.2397960 -0.2397960 0.0039958 0.0039958 0.5918918 0.5918918 0.6538322 0.6538322 0.7409412 0.7409412 0.9280606 0.9280606 1.0262766 1.0262766 1.0320496 1.0320496 1.0852171 1.0852171 1.1099138 1.1099138 1.1283206 1.1283206 1.1563032 1.1563032 1.2412665 1.2412665 1.3752007 1.3752007 1.4915824 1.4915824 1.5884920 1.5884920 1.7359689 1.7359689 1.8726054 1.8726054 1.9447541 1.9447541 2.2212990 2.2212990 2.3536230 2.3536230 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.890 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= 0.85000 0.35000 -0.35000 83 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1616477 -2.1616477 -0.8905606 -0.8905606 -0.3885720 -0.3885720 -0.2395120 -0.2395120 0.0193428 0.0193428 0.5747249 0.5747249 0.6356856 0.6356856 0.7495311 0.7495311 0.9619599 0.9619599 1.0122913 1.0122913 1.0275786 1.0275786 1.0839177 1.0839177 1.1122449 1.1122449 1.1278013 1.1278013 1.1531139 1.1531139 1.2513363 1.2513363 1.3553940 1.3553940 1.4662550 1.4662550 1.5787126 1.5787126 1.7758588 1.7758588 1.8720904 1.8720904 1.9856516 1.9856516 2.2384262 2.2384262 2.3320358 2.3320358 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.910 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= 0.90000 0.40000 -0.40000 84 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1623251 -2.1623251 -0.8892767 -0.8892767 -0.3892537 -0.3892537 -0.2351268 -0.2351268 0.0346832 0.0346832 0.5583326 0.5583326 0.6195313 0.6195313 0.7536031 0.7536031 0.9881012 0.9881012 0.9955890 0.9955890 1.0239871 1.0239871 1.0846886 1.0846886 1.1147450 1.1147450 1.1280645 1.1280645 1.1509461 1.1509461 1.2671151 1.2671151 1.3390718 1.3390718 1.4328624 1.4328624 1.5431683 1.5431683 1.7941300 1.7941300 1.9010341 1.9010341 1.9796508 1.9796508 2.2427814 2.2427814 2.3745116 2.3745116 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.940 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= 0.95000 0.45000 -0.45000 85 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1636168 -2.1636168 -0.8865898 -0.8865898 -0.3868399 -0.3868399 -0.2268288 -0.2268288 0.0484567 0.0484567 0.5439534 0.5439534 0.6065291 0.6065291 0.7512719 0.7512719 0.9712035 0.9712035 1.0122471 1.0122471 1.0212918 1.0212918 1.0874967 1.0874967 1.1180049 1.1180049 1.1291785 1.1291785 1.1494916 1.1494916 1.2863471 1.2863471 1.3265729 1.3265729 1.3963501 1.3963501 1.5015892 1.5015892 1.7897839 1.7897839 1.9049988 1.9049988 1.9592655 1.9592655 2.2693286 2.2693286 2.4427319 2.4427319 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.960 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 0.50000 -0.50000 86 MATRIX SIZE= 98 WEIGHT=12.00 EIGENVALUES ARE: -2.1653881 -2.1653881 -0.8827882 -0.8827882 -0.3815741 -0.3815741 -0.2151913 -0.2151913 0.0589383 0.0589383 0.5330610 0.5330610 0.5976423 0.5976423 0.7414098 0.7414098 0.9524831 0.9524831 1.0178697 1.0178697 1.0265875 1.0265875 1.0919413 1.0919413 1.1221584 1.1221584 1.1309255 1.1309255 1.1487420 1.1487420 1.3005231 1.3005231 1.3192941 1.3192941 1.3604622 1.3604622 1.4661584 1.4661584 1.7629473 1.7629473 1.8273121 1.8273121 2.0106407 2.0106407 2.2954053 2.2954053 2.4816689 2.4816689 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 1.980 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= 0.60000 0.00000 0.00000 87 MATRIX SIZE= 100 WEIGHT= 6.00 EIGENVALUES ARE: -2.1679271 -2.1679271 -0.8739849 -0.8739849 -0.3377728 -0.3377728 -0.2148082 -0.2148082 -0.0451449 -0.0451449 0.6266400 0.6266400 0.7258057 0.7258057 0.7495864 0.7495864 0.8014514 0.8014514 1.0439556 1.0439556 1.0497650 1.0497650 1.0935258 1.0935258 1.0961336 1.0961336 1.1219666 1.1219666 1.1981706 1.1981706 1.2367697 1.2367697 1.3361591 1.3361591 1.4189518 1.4189518 1.4562387 1.4562387 1.4888354 1.4888354 1.7112402 1.7112402 2.2295259 2.2295259 2.2697306 2.2697306 2.3525199 2.3525199 2.3594878 2.3594878 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.010 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= 0.65000 0.05000 -0.05000 88 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1660671 -2.1660671 -0.8782186 -0.8782186 -0.3434257 -0.3434257 -0.2220361 -0.2220361 -0.0601590 -0.0601590 0.6459724 0.6459724 0.7357054 0.7357054 0.7511915 0.7511915 0.7972363 0.7972363 1.0435850 1.0435850 1.0478042 1.0478042 1.0928956 1.0928956 1.0961558 1.0961558 1.1248201 1.1248201 1.1962159 1.1962159 1.2355393 1.2355393 1.3636464 1.3636464 1.4472426 1.4472426 1.4874505 1.4874505 1.5219509 1.5219509 1.7301959 1.7301959 2.1506733 2.1506733 2.2952011 2.2952011 2.3233055 2.3233055 2.3578080 2.3578080 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.030 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= 0.70000 0.10000 -0.10000 89 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1642506 -2.1642506 -0.8824483 -0.8824483 -0.3506695 -0.3506695 -0.2311371 -0.2311371 -0.0654357 -0.0654357 0.6551608 0.6551608 0.7373141 0.7373141 0.7510376 0.7510376 0.8058413 0.8058413 1.0418635 1.0418635 1.0460150 1.0460150 1.0920967 1.0920967 1.0983569 1.0983569 1.1271491 1.1271491 1.1886178 1.1886178 1.2322644 1.2322644 1.4003371 1.4003371 1.4905761 1.4905761 1.5069714 1.5069714 1.5481214 1.5481214 1.7631701 1.7631701 2.0600039 2.0600039 2.2584262 2.2584262 2.3297884 2.3297884 2.4261933 2.4261933 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.060 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.000 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.75000 0.15000 -0.15000 90 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1626576 -2.1626576 -0.8861657 -0.8861657 -0.3584175 -0.3584175 -0.2418730 -0.2418730 -0.0608153 -0.0608153 0.6520187 0.6520187 0.7244857 0.7244857 0.7620877 0.7620877 0.8246283 0.8246283 1.0389109 1.0389109 1.0443014 1.0443014 1.0908778 1.0908778 1.1010344 1.1010344 1.1281983 1.1281983 1.1783126 1.1783126 1.2304690 1.2304690 1.4320600 1.4320600 1.5063834 1.5063834 1.5391800 1.5391800 1.5785869 1.5785869 1.8134811 1.8134811 1.9768067 1.9768067 2.2339489 2.2339489 2.3352448 2.3352448 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.80000 0.20000 -0.20000 91 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1614496 -2.1614496 -0.8890488 -0.8890488 -0.3661218 -0.3661218 -0.2515506 -0.2515506 -0.0485867 -0.0485867 0.6400014 0.6400014 0.7061772 0.7061772 0.7747777 0.7747777 0.8522641 0.8522641 1.0353031 1.0353031 1.0411951 1.0411951 1.0886959 1.0886959 1.1037267 1.1037267 1.1278969 1.1278969 1.1685539 1.1685539 1.2306347 1.2306347 1.4324153 1.4324153 1.5201440 1.5201440 1.5552867 1.5552867 1.6315793 1.6315793 1.8653618 1.8653618 1.9208335 1.9208335 2.2269311 2.2269311 2.3423181 2.3423181 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.85000 0.25000 -0.25000 92 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1607516 -2.1607516 -0.8909006 -0.8909006 -0.3734536 -0.3734536 -0.2573065 -0.2573065 -0.0314558 -0.0314558 0.6231527 0.6231527 0.6851394 0.6851394 0.7844076 0.7844076 0.8865559 0.8865559 1.0305863 1.0305863 1.0356560 1.0356560 1.0858143 1.0858143 1.1062784 1.1062784 1.1267055 1.1267055 1.1609548 1.1609548 1.2331135 1.2331135 1.4089025 1.4089025 1.5220269 1.5220269 1.5662858 1.5662858 1.6891361 1.6891361 1.8486410 1.8486410 1.9638228 1.9638228 2.2353970 2.2353970 2.3398390 2.3398390 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.90000 0.30000 -0.30000 93 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1606371 -2.1606371 -0.8915233 -0.8915233 -0.3798808 -0.3798808 -0.2575464 -0.2575464 -0.0115584 -0.0115584 0.6038929 0.6038929 0.6630407 0.6630407 0.7884523 0.7884523 0.9239849 0.9239849 1.0210179 1.0210179 1.0301548 1.0301548 1.0833511 1.0833511 1.1087169 1.1087169 1.1255150 1.1255150 1.1556734 1.1556734 1.2392073 1.2392073 1.3821259 1.3821259 1.5000686 1.5000686 1.5673338 1.5673338 1.7387555 1.7387555 1.8393156 1.8393156 2.0282351 2.0282351 2.2321260 2.2321260 2.3399525 2.3399525 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.140 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= 0.95000 0.35000 -0.35000 94 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1611191 -2.1611191 -0.8907795 -0.8907795 -0.3846291 -0.3846291 -0.2520406 -0.2520406 0.0094618 0.0094618 0.5835345 0.5835345 0.6414881 0.6414881 0.7849222 0.7849222 0.9600542 0.9600542 1.0056705 1.0056705 1.0263128 1.0263128 1.0824489 1.0824489 1.1112321 1.1112321 1.1253188 1.1253188 1.1522538 1.1522538 1.2505240 1.2505240 1.3589589 1.3589589 1.4676908 1.4676908 1.5486603 1.5486603 1.7743571 1.7743571 1.8606522 1.8606522 2.0546047 2.0546047 2.2118872 2.2118872 2.3755698 2.3755698 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 0.40000 -0.40000 95 MATRIX SIZE= 96 WEIGHT=12.00 EIGENVALUES ARE: -2.1621478 -2.1621478 -0.8891220 -0.8891220 -0.3870507 -0.3870507 -0.2414301 -0.2414301 0.0300055 0.0300055 0.5630615 0.5630615 0.6221460 0.6221460 0.7725062 0.7725062 0.9854580 0.9854580 0.9930373 0.9930373 1.0232651 1.0232651 1.0837535 1.0837535 1.1142443 1.1142443 1.1266005 1.1266005 1.1502630 1.1502630 1.2673870 1.2673870 1.3404111 1.3404111 1.4318374 1.4318374 1.5229559 1.5229559 1.7919522 1.7919522 1.8991853 1.8991853 2.0032372 2.0032372 2.2347011 2.2347011 2.4172851 2.4172851 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.70000 0.00000 0.00000 96 MATRIX SIZE= 94 WEIGHT= 6.00 EIGENVALUES ARE: -2.1645199 -2.1645199 -0.8813566 -0.8813566 -0.3431015 -0.3431015 -0.2276061 -0.2276061 -0.0857737 -0.0857737 0.6675103 0.6675103 0.7605866 0.7605866 0.7633592 0.7633592 0.7814104 0.7814104 1.0442048 1.0442048 1.0461551 1.0461551 1.0941274 1.0941274 1.0943311 1.0943311 1.1264014 1.1264014 1.2003855 1.2003855 1.2393319 1.2393319 1.3755041 1.3755041 1.4491827 1.4491827 1.5240651 1.5240651 1.5585891 1.5585891 1.7305405 1.7305405 2.0996972 2.0996972 2.2696432 2.2696432 2.3091273 2.3091273 2.3821801 2.3821801 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.200 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= 0.75000 0.05000 -0.05000 97 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1630028 -2.1630028 -0.8846151 -0.8846151 -0.3451539 -0.3451539 -0.2351279 -0.2351279 -0.0997858 -0.0997858 0.6780172 0.6780172 0.7620039 0.7620039 0.7795152 0.7795152 0.7844150 0.7844150 1.0430572 1.0430572 1.0452924 1.0452924 1.0936676 1.0936676 1.0964804 1.0964804 1.1280375 1.1280375 1.1980597 1.1980597 1.2376260 1.2376260 1.3997176 1.3997176 1.4740779 1.4740779 1.5465042 1.5465042 1.5829536 1.5829536 1.7471947 1.7471947 2.0270349 2.0270349 2.2482495 2.2482495 2.3018713 2.3018713 2.4487797 2.4487797 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.220 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= 0.80000 0.10000 -0.10000 98 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1616650 -2.1616650 -0.8875570 -0.8875570 -0.3486370 -0.3486370 -0.2472175 -0.2472175 -0.0992269 -0.0992269 0.6765470 0.6765470 0.7523907 0.7523907 0.7931674 0.7931674 0.8016804 0.8016804 1.0402737 1.0402737 1.0452256 1.0452256 1.0931896 1.0931896 1.0989056 1.0989056 1.1288136 1.1288136 1.1900152 1.1900152 1.2334974 1.2334974 1.4322325 1.4322325 1.5156553 1.5156553 1.5418452 1.5418452 1.5945158 1.5945158 1.7919879 1.7919879 1.9551902 1.9551902 2.2380500 2.2380500 2.3079166 2.3079166 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.240 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= 0.85000 0.15000 -0.15000 99 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1606410 -2.1606410 -0.8898755 -0.8898755 -0.3533762 -0.3533762 -0.2606138 -0.2606138 -0.0867075 -0.0867075 0.6661811 0.6661811 0.7368867 0.7368867 0.8149173 0.8149173 0.8157279 0.8157279 1.0371471 1.0371471 1.0439070 1.0439070 1.0917502 1.0917502 1.1012233 1.1012233 1.1283814 1.1283814 1.1791553 1.1791553 1.2304993 1.2304993 1.4600420 1.4600420 1.5168985 1.5168985 1.5644938 1.5644938 1.6028734 1.6028734 1.8431077 1.8431077 1.9101090 1.9101090 2.2384127 2.2384127 2.3214375 2.3214375 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.260 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= 0.90000 0.20000 -0.20000 100 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1600359 -2.1600359 -0.8914214 -0.8914214 -0.3599927 -0.3599927 -0.2696859 -0.2696859 -0.0667942 -0.0667942 0.6501771 0.6501771 0.7162611 0.7162611 0.8215074 0.8215074 0.8464875 0.8464875 1.0336312 1.0336312 1.0402120 1.0402120 1.0889825 1.0889825 1.1034474 1.1034474 1.1269576 1.1269576 1.1688384 1.1688384 1.2297271 1.2297271 1.4491944 1.4491944 1.5190671 1.5190671 1.5735080 1.5735080 1.6401692 1.6401692 1.8314598 1.8314598 1.9572603 1.9572603 2.2420129 2.2420129 2.3360938 2.3360938 2.4981263 2.4981263 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.280 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= 0.95000 0.25000 -0.25000 101 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1599131 -2.1599131 -0.8920733 -0.8920733 -0.3684970 -0.3684970 -0.2710429 -0.2710429 -0.0428206 -0.0428206 0.6304216 0.6304216 0.6921363 0.6921363 0.8195043 0.8195043 0.8832368 0.8832368 1.0286564 1.0286564 1.0341383 1.0341383 1.0856118 1.0856118 1.1057241 1.1057241 1.1252937 1.1252937 1.1608312 1.1608312 1.2319924 1.2319924 1.4162387 1.4162387 1.5224627 1.5224627 1.5628344 1.5628344 1.6924282 1.6924282 1.8175688 1.8175688 2.0327124 2.0327124 2.2257926 2.2257926 2.3538111 2.3538111 2.4970444 2.4970444 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= 1.00000 0.30000 -0.30000 102 MATRIX SIZE= 96 WEIGHT=12.00 EIGENVALUES ARE: -2.1602867 -2.1602867 -0.8918869 -0.8918869 -0.3773515 -0.3773515 -0.2646235 -0.2646235 -0.0168966 -0.0168966 0.6079452 0.6079452 0.6664522 0.6664522 0.8074112 0.8074112 0.9226238 0.9226238 1.0186911 1.0186911 1.0294290 1.0294290 1.0830285 1.0830285 1.1082441 1.1082441 1.1244688 1.1244688 1.1554118 1.1554118 1.2385498 1.2385498 1.3850007 1.3850007 1.5005480 1.5005480 1.5559860 1.5559860 1.7391181 1.7391181 1.8292668 1.8292668 2.0852358 2.0852358 2.1950771 2.1950771 2.3709887 2.3709887 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.320 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= 0.80000 0.00000 0.00000 103 MATRIX SIZE= 94 WEIGHT= 6.00 EIGENVALUES ARE: -2.1618024 -2.1618024 -0.8869422 -0.8869422 -0.3425783 -0.3425783 -0.2374591 -0.2374591 -0.1247949 -0.1247949 0.6915724 0.6915724 0.7666318 0.7666318 0.7750716 0.7750716 0.8116335 0.8116335 1.0425602 1.0425602 1.0456393 1.0456393 1.0958157 1.0958157 1.0962038 1.0962038 1.1293149 1.1293149 1.2020166 1.2020166 1.2411221 1.2411221 1.4074815 1.4074815 1.4725128 1.4725128 1.5797135 1.5797135 1.6155313 1.6155313 1.7354189 1.7354189 1.9756593 1.9756593 2.2396371 2.2396371 2.2988241 2.2988241 2.4956095 2.4956095 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.350 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= 0.85000 0.05000 -0.05000 104 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1607670 -2.1607670 -0.8890664 -0.8890664 -0.3421447 -0.3421447 -0.2456266 -0.2456266 -0.1326507 -0.1326507 0.6940223 0.6940223 0.7645665 0.7645665 0.7780972 0.7780972 0.8336484 0.8336484 1.0406441 1.0406441 1.0468751 1.0468751 1.0960406 1.0960406 1.0981489 1.0981489 1.1300486 1.1300486 1.1993761 1.1993761 1.2390780 1.2390780 1.4261640 1.4261640 1.4933151 1.4933151 1.5858254 1.5858254 1.6247442 1.6247442 1.7607137 1.7607137 1.9199114 1.9199114 2.2412016 2.2412016 2.3111999 2.3111999 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.370 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= 0.90000 0.10000 -0.10000 105 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1599998 -2.1599998 -0.8907199 -0.8907199 -0.3433533 -0.3433533 -0.2605380 -0.2605380 -0.1222641 -0.1222641 0.6865800 0.6865800 0.7595130 0.7595130 0.7878583 0.7878583 0.8465218 0.8465218 1.0383723 1.0383723 1.0470495 1.0470495 1.0953750 1.0953750 1.0998713 1.0998713 1.1297131 1.1297131 1.1908978 1.1908978 1.2342905 1.2342905 1.4528168 1.4528168 1.5310667 1.5310667 1.5549532 1.5549532 1.6220329 1.6220329 1.8163408 1.8163408 1.8791261 1.8791261 2.2484081 2.2484081 2.3327719 2.3327719 2.4908702 2.4908702 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.390 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= 0.95000 0.15000 -0.15000 106 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1595789 -2.1595789 -0.8917596 -0.8917596 -0.3475458 -0.3475458 -0.2735999 -0.2735999 -0.1005256 -0.1005256 0.6724624 0.6724624 0.7431972 0.7431972 0.8112951 0.8112951 0.8492146 0.8492146 1.0358361 1.0358361 1.0450126 1.0450126 1.0930674 1.0930674 1.1015157 1.1015157 1.1283417 1.1283417 1.1795827 1.1795827 1.2305426 1.2305426 1.4789833 1.4789833 1.5103695 1.5103695 1.5776663 1.5776663 1.6135622 1.6135622 1.8242288 1.8242288 1.9143247 1.9143247 2.2512517 2.2512517 2.3567876 2.3567876 2.4655836 2.4655836 2.4806817 2.4806817 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.410 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 0.20000 -0.20000 107 MATRIX SIZE= 96 WEIGHT=12.00 EIGENVALUES ARE: -2.1595484 -2.1595484 -0.8921989 -0.8921989 -0.3565171 -0.3565171 -0.2773644 -0.2773644 -0.0730584 -0.0730584 0.6534654 0.6534654 0.7198128 0.7198128 0.8380339 0.8380339 0.8464578 0.8464578 1.0329299 1.0329299 1.0402317 1.0402317 1.0893768 1.0893768 1.1033819 1.1033819 1.1265405 1.1265405 1.1689273 1.1689273 1.2294455 1.2294455 1.4561084 1.4561084 1.5131591 1.5131591 1.5803521 1.5803521 1.6419922 1.6419922 1.8124459 1.8124459 1.9852064 1.9852064 2.2391041 2.2391041 2.3670109 2.3670109 2.4711174 2.4711174 2.4716590 2.4716590 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.440 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= 0.90000 0.00000 0.00000 108 MATRIX SIZE= 94 WEIGHT= 6.00 EIGENVALUES ARE: -2.1600513 -2.1600513 -0.8904005 -0.8904005 -0.3390972 -0.3390972 -0.2436473 -0.2436473 -0.1534028 -0.1534028 0.7028423 0.7028423 0.7576852 0.7576852 0.7828448 0.7828448 0.8559169 0.8559169 1.0400789 1.0400789 1.0490025 1.0490025 1.0981379 1.0981379 1.0983299 1.0983299 1.1310055 1.1310055 1.2031216 1.2031216 1.2423559 1.2423559 1.4273929 1.4273929 1.4874712 1.4874712 1.6153628 1.6153628 1.6506515 1.6506515 1.7395004 1.7395004 1.8803871 1.8803871 2.2515261 2.2515261 2.3330835 2.3330835 2.4890631 2.4890631 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.460 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= 0.95000 0.05000 -0.05000 109 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1595884 -2.1595884 -0.8913413 -0.8913413 -0.3383293 -0.3383293 -0.2520776 -0.2520776 -0.1513097 -0.1513097 0.7006842 0.7006842 0.7606678 0.7606678 0.7819864 0.7819864 0.8662549 0.8662549 1.0390086 1.0390086 1.0499780 1.0499780 1.0981803 1.0981803 1.0993628 1.0993628 1.1310284 1.1310284 1.2001054 1.2001054 1.2399174 1.2399174 1.4390959 1.4390959 1.5034680 1.5034680 1.6037916 1.6037916 1.6444282 1.6444282 1.7772702 1.7772702 1.8493411 1.8493411 2.2628252 2.2628252 2.3626626 2.3626626 2.4551198 2.4551198 2.4725691 2.4725691 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.480 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= 1.00000 0.10000 -0.10000 110 MATRIX SIZE= 94 WEIGHT=12.00 EIGENVALUES ARE: -2.1594251 -2.1594251 -0.8917859 -0.8917859 -0.3402759 -0.3402759 -0.2662588 -0.2662588 -0.1303481 -0.1303481 0.6896127 0.6896127 0.7614853 0.7614853 0.7864727 0.7864727 0.8640806 0.8640806 1.0375858 1.0375858 1.0486510 1.0486510 1.0965160 1.0965160 1.1002357 1.1002357 1.1299854 1.1299854 1.1912090 1.1912090 1.2345885 1.2345885 1.4593816 1.4593816 1.5363971 1.5363971 1.5575342 1.5575342 1.6306708 1.6306708 1.8270506 1.8270506 1.8499452 1.8499452 2.2631932 2.2631932 2.3790328 2.3790328 2.4464726 2.4464726 2.4479102 2.4479102 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.500 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= 1.00000 0.00000 0.00000 111 MATRIX SIZE= 94 WEIGHT= 3.00 EIGENVALUES ARE: -2.1594467 -2.1594467 -0.8915695 -0.8915695 -0.3370799 -0.3370799 -0.2457556 -0.2457556 -0.1641105 -0.1641105 0.7062379 0.7062379 0.7546724 0.7546724 0.7855828 0.7855828 0.8729010 0.8729010 1.0392065 1.0392065 1.0511887 1.0511887 1.0988996 1.0988996 1.0996050 1.0996050 1.1315684 1.1315684 1.2035242 1.2035242 1.2428327 1.2428327 1.4336387 1.4336387 1.4926417 1.4926417 1.6276973 1.6276973 1.6620555 1.6620555 1.7455256 1.7455256 1.8398566 1.8398566 2.2707003 2.2707003 2.3867674 2.3867674 2.4402953 2.4402953 2.4421112 2.4421112 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.530 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= 0.20000 0.10000 0.00000 112 MATRIX SIZE= 106 WEIGHT=24.00 EIGENVALUES ARE: -2.1808686 -2.1808686 -0.8416299 -0.8416299 -0.2542691 -0.2542691 -0.1562196 -0.1562196 -0.0455627 -0.0455627 0.6300206 0.6300206 0.6773254 0.6773254 0.7012374 0.7012374 0.9166750 0.9166750 1.0272051 1.0272051 1.0390655 1.0390655 1.0829313 1.0829313 1.1316996 1.1316996 1.1538280 1.1538280 1.1610915 1.1610915 1.1711151 1.1711151 1.1952834 1.1952834 1.2473579 1.2473579 1.2666410 1.2666410 1.3419237 1.3419237 1.4258855 1.4258855 1.9569948 1.9569948 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.550 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= 0.25000 0.15000 -0.05000 113 MATRIX SIZE= 104 WEIGHT=48.00 EIGENVALUES ARE: -2.1789417 -2.1789417 -0.8471370 -0.8471370 -0.2831414 -0.2831414 -0.1597605 -0.1597605 -0.0154090 -0.0154090 0.6049069 0.6049069 0.6611598 0.6611598 0.6971269 0.6971269 0.9070949 0.9070949 1.0253201 1.0253201 1.0402058 1.0402058 1.0966967 1.0966967 1.1282541 1.1282541 1.1494886 1.1494886 1.1649435 1.1649435 1.1964661 1.1964661 1.2159430 1.2159430 1.2606539 1.2606539 1.2754043 1.2754043 1.3889954 1.3889954 1.4830085 1.4830085 2.0004884 2.0004884 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.580 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= 0.30000 0.20000 -0.10000 114 MATRIX SIZE= 102 WEIGHT=48.00 EIGENVALUES ARE: -2.1764936 -2.1764936 -0.8542561 -0.8542561 -0.3118892 -0.3118892 -0.1632924 -0.1632924 0.0137368 0.0137368 0.5799492 0.5799492 0.6422829 0.6422829 0.6863416 0.6863416 0.9053318 0.9053318 1.0239058 1.0239058 1.0391369 1.0391369 1.1061409 1.1061409 1.1263579 1.1263579 1.1444886 1.1444886 1.1625467 1.1625467 1.2188430 1.2188430 1.2569332 1.2569332 1.2840197 1.2840197 1.2938305 1.2938305 1.4486556 1.4486556 1.5451520 1.5451520 2.0607701 2.0607701 2.4386416 2.4386416 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.35000 0.25000 -0.15000 115 MATRIX SIZE= 100 WEIGHT=48.00 EIGENVALUES ARE: -2.1737535 -2.1737535 -0.8622432 -0.8622432 -0.3380521 -0.3380521 -0.1668416 -0.1668416 0.0396462 0.0396462 0.5563520 0.5563520 0.6239013 0.6239013 0.6710347 0.6710347 0.9126139 0.9126139 1.0233339 1.0233339 1.0371927 1.0371927 1.1089163 1.1089163 1.1259589 1.1259589 1.1422805 1.1422805 1.1595878 1.1595878 1.2422738 1.2422738 1.2867787 1.2867787 1.3028036 1.3028036 1.3461728 1.3461728 1.5167609 1.5167609 1.6096225 1.6096225 2.1341425 2.1341425 2.3313024 2.3313024 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= 0.40000 0.30000 -0.20000 116 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1709850 -2.1709850 -0.8703547 -0.8703547 -0.3603604 -0.3603604 -0.1702445 -0.1702445 0.0612211 0.0612211 0.5350312 0.5350312 0.6083780 0.6083780 0.6537713 0.6537713 0.9282360 0.9282360 1.0234820 1.0234820 1.0349339 1.0349339 1.1081165 1.1081165 1.1248593 1.1248593 1.1429841 1.1429841 1.1577106 1.1577106 1.2615868 1.2615868 1.2998491 1.2998491 1.3335496 1.3335496 1.4126781 1.4126781 1.5904814 1.5904814 1.6738860 1.6738860 2.1898067 2.1898067 2.2624089 2.2624089 2.4130873 2.4130873 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.640 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= 0.45000 0.35000 -0.25000 117 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1684625 -2.1684625 -0.8778085 -0.8778085 -0.3781259 -0.3781259 -0.1732531 -0.1732531 0.0779941 0.0779941 0.5169292 0.5169292 0.5971101 0.5971101 0.6367583 0.6367583 0.9499677 0.9499677 1.0240541 1.0240541 1.0324789 1.0324789 1.1066335 1.1066335 1.1230738 1.1230738 1.1446293 1.1446293 1.1568900 1.1568900 1.2668630 1.2668630 1.3184393 1.3184393 1.3625741 1.3625741 1.4826163 1.4826163 1.6663708 1.6663708 1.7351524 1.7351524 2.1318204 2.1318204 2.2894780 2.2894780 2.3608963 2.3608963 2.4678454 2.4678454 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.660 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= 0.50000 0.40000 -0.30000 118 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1664434 -2.1664434 -0.8837926 -0.8837926 -0.3909784 -0.3909784 -0.1756126 -0.1756126 0.0898791 0.0898791 0.5030488 0.5030488 0.5905618 0.5905618 0.6218374 0.6218374 0.9740526 0.9740526 1.0245534 1.0245534 1.0297674 1.0297674 1.1053960 1.1053960 1.1214515 1.1214515 1.1460406 1.1460406 1.1567916 1.1567916 1.2608781 1.2608781 1.3400412 1.3400412 1.3856666 1.3856666 1.5482841 1.5482841 1.7385130 1.7385130 1.7895746 1.7895746 2.0658762 2.0658762 2.2327252 2.2327252 2.3437330 2.3437330 2.4593204 2.4593204 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.680 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= 0.55000 0.45000 -0.35000 119 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1651390 -2.1651390 -0.8876358 -0.8876358 -0.3987335 -0.3987335 -0.1771116 -0.1771116 0.0969499 0.0969499 0.4942996 0.4942996 0.5882392 0.5882392 0.6108361 0.6108361 0.9953116 0.9953116 1.0231756 1.0231756 1.0276356 1.0276356 1.1046299 1.1046299 1.1203344 1.1203344 1.1469432 1.1469432 1.1570724 1.1570724 1.2523505 1.2523505 1.3562898 1.3562898 1.4004456 1.4004456 1.5990028 1.5990028 1.7950862 1.7950862 1.8302010 1.8302010 2.0201433 2.0201433 2.1799517 2.1799517 2.2755883 2.2755883 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.700 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= 0.60000 0.50000 -0.40000 120 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1646880 -2.1646880 -0.8889698 -0.8889698 -0.4013256 -0.4013256 -0.1776273 -0.1776273 0.0992941 0.0992941 0.4913084 0.4913084 0.5881303 0.5881303 0.6064332 0.6064332 1.0060101 1.0060101 1.0197572 1.0197572 1.0273310 1.0273310 1.1043749 1.1043749 1.1199226 1.1199226 1.1472561 1.1472561 1.1572688 1.1572688 1.2484090 1.2484090 1.3622693 1.3622693 1.4055153 1.4055153 1.6191379 1.6191379 1.8173194 1.8173194 1.8460806 1.8460806 2.0039905 2.0039905 2.1598763 2.1598763 2.2457415 2.2457415 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.720 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= 0.30000 0.10000 0.00000 121 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.1782858 -2.1782858 -0.8487173 -0.8487173 -0.2859592 -0.2859592 -0.1678045 -0.1678045 -0.0116681 -0.0116681 0.5885374 0.5885374 0.6794210 0.6794210 0.7066306 0.7066306 0.8903494 0.8903494 1.0329279 1.0329279 1.0439451 1.0439451 1.0960880 1.0960880 1.1197407 1.1197407 1.1383187 1.1383187 1.1737935 1.1737935 1.2024265 1.2024265 1.2205301 1.2205301 1.2787949 1.2787949 1.2883365 1.2883365 1.3659957 1.3659957 1.5166732 1.5166732 2.0127911 2.0127911 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.740 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= 0.35000 0.15000 -0.05000 122 MATRIX SIZE= 102 WEIGHT=48.00 EIGENVALUES ARE: -2.1760807 -2.1760807 -0.8549043 -0.8549043 -0.3094205 -0.3094205 -0.1724860 -0.1724860 0.0087120 0.0087120 0.5720716 0.5720716 0.6646114 0.6646114 0.7032716 0.7032716 0.8848962 0.8848962 1.0314016 1.0314016 1.0435330 1.0435330 1.1047390 1.1047390 1.1176110 1.1176110 1.1336040 1.1336040 1.1724801 1.1724801 1.2160840 1.2160840 1.2553285 1.2553285 1.2999896 1.2999896 1.3105384 1.3105384 1.4151719 1.4151719 1.5716196 1.5716196 2.0661080 2.0661080 2.4394859 2.4394859 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.760 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= 0.40000 0.20000 -0.10000 123 MATRIX SIZE= 100 WEIGHT=48.00 EIGENVALUES ARE: -2.1735212 -2.1735212 -0.8621206 -0.8621206 -0.3328502 -0.3328502 -0.1769235 -0.1769235 0.0273737 0.0273737 0.5591764 0.5591764 0.6464397 0.6464397 0.6936058 0.6936058 0.8885488 0.8885488 1.0300975 1.0300975 1.0415386 1.0415386 1.1069991 1.1069991 1.1183009 1.1183009 1.1332629 1.1332629 1.1672938 1.1672938 1.2290645 1.2290645 1.2970843 1.2970843 1.3207743 1.3207743 1.3480600 1.3480600 1.4775981 1.4775981 1.6287195 1.6287195 2.1337364 2.1337364 2.3318310 2.3318310 2.4856591 2.4856591 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= 0.45000 0.25000 -0.15000 124 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1708514 -2.1708514 -0.8696686 -0.8696686 -0.3540896 -0.3540896 -0.1812662 -0.1812662 0.0432068 0.0432068 0.5488603 0.5488603 0.6290783 0.6290783 0.6796958 0.6796958 0.9012707 0.9012707 1.0294736 1.0294736 1.0388767 1.0388767 1.1056333 1.1056333 1.1185518 1.1185518 1.1358182 1.1358182 1.1620669 1.1620669 1.2425033 1.2425033 1.3209618 1.3209618 1.3523967 1.3523967 1.4004910 1.4004910 1.5491041 1.5491041 1.6858375 1.6858375 2.1925272 2.1925272 2.2520247 2.2520247 2.4039354 2.4039354 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.30000 -0.20000 125 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1683335 -2.1683335 -0.8768282 -0.8768282 -0.3718905 -0.3718905 -0.1853424 -0.1853424 0.0559461 0.0559461 0.5395170 0.5395170 0.6159901 0.6159901 0.6640177 0.6640177 0.9216575 0.9216575 1.0293304 1.0293304 1.0358526 1.0358526 1.1035490 1.1035490 1.1180512 1.1180512 1.1383673 1.1383673 1.1583826 1.1583826 1.2534296 1.2534296 1.3308840 1.3308840 1.3847501 1.3847501 1.4647378 1.4647378 1.6256027 1.6256027 1.7410336 1.7410336 2.1300042 2.1300042 2.2847589 2.2847589 2.3503961 2.3503961 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.820 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= 0.55000 0.35000 -0.25000 126 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1662218 -2.1662218 -0.8828439 -0.8828439 -0.3855296 -0.3855296 -0.1888151 -0.1888151 0.0657601 0.0657601 0.5301394 0.5301394 0.6088606 0.6088606 0.6490658 0.6490658 0.9469887 0.9469887 1.0289178 1.0289178 1.0325662 1.0325662 1.1012711 1.1012711 1.1175363 1.1175363 1.1400503 1.1400503 1.1562883 1.1562883 1.2587469 1.2587469 1.3370280 1.3370280 1.4090889 1.4090889 1.5315844 1.5315844 1.7011107 1.7011107 1.7919831 1.7919831 2.0555703 2.0555703 2.2380561 2.2380561 2.3839579 2.3839579 2.4952907 2.4952907 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.840 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= 0.60000 0.40000 -0.30000 127 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1647351 -2.1647351 -0.8870837 -0.8870837 -0.3946030 -0.3946030 -0.1913274 -0.1913274 0.0729032 0.0729032 0.5213837 0.5213837 0.6060549 0.6060549 0.6380296 0.6380296 0.9732022 0.9732022 1.0253968 1.0253968 1.0304494 1.0304494 1.0990153 1.0990153 1.1173371 1.1173371 1.1410320 1.1410320 1.1552742 1.1552742 1.2585213 1.2585213 1.3419056 1.3419056 1.4230193 1.4230193 1.5896887 1.5896887 1.7655528 1.7655528 1.8338310 1.8338310 1.9980337 1.9980337 2.1920426 2.1920426 2.3426944 2.3426944 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.860 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= 0.65000 0.45000 -0.35000 128 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1640306 -2.1640306 -0.8891069 -0.8891069 -0.3989020 -0.3989020 -0.1925890 -0.1925890 0.0774791 0.0774791 0.5148958 0.5148958 0.6028230 0.6028230 0.6354712 0.6354712 0.9951986 0.9951986 1.0170989 1.0170989 1.0292701 1.0292701 1.0974413 1.0974413 1.1176133 1.1176133 1.1415067 1.1415067 1.1547544 1.1547544 1.2575603 1.2575603 1.3449651 1.3449651 1.4248362 1.4248362 1.6216248 1.6216248 1.8043938 1.8043938 1.8566668 1.8566668 1.9693170 1.9693170 2.1779996 2.1779996 2.2908440 2.2908440 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.890 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= 0.70000 0.50000 -0.40000 129 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1641836 -2.1641836 -0.8887105 -0.8887105 -0.3983429 -0.3983429 -0.1924224 -0.1924224 0.0793241 0.0793241 0.5120812 0.5120812 0.5977674 0.5977674 0.6421698 0.6421698 0.9974238 0.9974238 1.0154511 1.0154511 1.0278060 1.0278060 1.0974126 1.0974126 1.1184381 1.1184381 1.1415239 1.1415239 1.1543012 1.1543012 1.2609642 1.2609642 1.3444415 1.3444415 1.4147596 1.4147596 1.6106196 1.6106196 1.8070930 1.8070930 1.8530586 1.8530586 1.9745812 1.9745812 2.1943126 2.1943126 2.2895406 2.2895406 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.910 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= 0.75000 0.55000 -0.45000 130 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1651777 -2.1651777 -0.8859187 -0.8859187 -0.3929375 -0.3929375 -0.1907796 -0.1907796 0.0780106 0.0780106 0.5136835 0.5136835 0.5942661 0.5942661 0.6541372 0.6541372 0.9765295 0.9765295 1.0234303 1.0234303 1.0272339 1.0272339 1.0988499 1.0988499 1.1198204 1.1198204 1.1411392 1.1411392 1.1538542 1.1538542 1.2682983 1.2682983 1.3389820 1.3389820 1.3955282 1.3955282 1.5642332 1.5642332 1.7721504 1.7721504 1.8223161 1.8223161 2.0106440 2.0106440 2.2314339 2.2314339 2.3454324 2.3454324 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.930 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= 0.80000 0.60000 -0.50000 131 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1669071 -2.1669071 -0.8810364 -0.8810364 -0.3828148 -0.3828148 -0.1877476 -0.1877476 0.0729335 0.0729335 0.5198334 0.5198334 0.5946318 0.5946318 0.6683115 0.6683115 0.9519010 0.9519010 1.0233679 1.0233679 1.0319160 1.0319160 1.1010357 1.1010357 1.1216616 1.1216616 1.1404594 1.1404594 1.1536589 1.1536589 1.2735753 1.2735753 1.3284954 1.3284954 1.3710975 1.3710975 1.5026176 1.5026176 1.7090652 1.7090652 1.7748588 1.7748588 2.0697264 2.0697264 2.2798502 2.2798502 2.3947834 2.3947834 2.4837816 2.4837816 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.950 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= 0.85000 0.65000 -0.55000 132 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1691901 -2.1691901 -0.8745877 -0.8745877 -0.3682639 -0.3682639 -0.1835166 -0.1835166 0.0634872 0.0634872 0.5302224 0.5302224 0.5998957 0.5998957 0.6825166 0.6825166 0.9290534 0.9290534 1.0220647 1.0220647 1.0362012 1.0362012 1.1036630 1.1036630 1.1235414 1.1235414 1.1396356 1.1396356 1.1541457 1.1541457 1.2697242 1.2697242 1.3153459 1.3153459 1.3441037 1.3441037 1.4392351 1.4392351 1.6334941 1.6334941 1.7200495 1.7200495 2.1435465 2.1435465 2.2699029 2.2699029 2.4110910 2.4110910 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 2.970 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= 0.90000 0.70000 -0.60000 133 MATRIX SIZE= 100 WEIGHT=48.00 EIGENVALUES ARE: -2.1717921 -2.1717921 -0.8672677 -0.8672677 -0.3498224 -0.3498224 -0.1783401 -0.1783401 0.0493077 0.0493077 0.5443577 0.5443577 0.6102929 0.6102929 0.6946373 0.6946373 0.9117026 0.9117026 1.0213172 1.0213172 1.0394176 1.0394176 1.1066658 1.1066658 1.1243068 1.1243068 1.1392385 1.1392385 1.1559540 1.1559540 1.2548187 1.2548187 1.2996802 1.2996802 1.3166691 1.3166691 1.3818447 1.3818447 1.5572604 1.5572604 1.6611109 1.6611109 2.1824594 2.1824594 2.2450844 2.2450844 2.4783906 2.4783906 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.000 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= 0.95000 0.75000 -0.65000 134 MATRIX SIZE= 100 WEIGHT=48.00 EIGENVALUES ARE: -2.1744528 -2.1744528 -0.8597720 -0.8597720 -0.3283900 -0.3283900 -0.1724712 -0.1724712 0.0305642 0.0305642 0.5618003 0.5618003 0.6251819 0.6251819 0.7023885 0.7023885 0.9020215 0.9020215 1.0215434 1.0215434 1.0416562 1.0416562 1.1089002 1.1089002 1.1230341 1.1230341 1.1405710 1.1405710 1.1594876 1.1594876 1.2344336 1.2344336 1.2714791 1.2714791 1.2981829 1.2981829 1.3338811 1.3338811 1.4875409 1.4875409 1.6003225 1.6003225 2.1122301 2.1122301 2.3402570 2.3402570 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.020 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= 1.00000 0.80000 -0.70000 135 MATRIX SIZE= 102 WEIGHT=24.00 EIGENVALUES ARE: -2.1769135 -2.1769135 -0.8528423 -0.8528423 -0.3054199 -0.3054199 -0.1661570 -0.1661570 0.0082553 0.0082553 0.5821923 0.5821923 0.6429864 0.6429864 0.7035725 0.7035725 0.9007824 0.9007824 1.0229646 1.0229646 1.0423549 1.0423549 1.1056037 1.1056037 1.1237238 1.1237238 1.1441914 1.1441914 1.1637016 1.1637016 1.2139981 1.2139981 1.2397067 1.2397067 1.2847491 1.2847491 1.2944672 1.2944672 1.4296786 1.4296786 1.5400655 1.5400655 2.0486887 2.0486887 2.4489844 2.4489844 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.040 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= 0.40000 0.10000 0.00000 136 MATRIX SIZE= 104 WEIGHT=24.00 EIGENVALUES ARE: -2.1750157 -2.1750157 -0.8574134 -0.8574134 -0.3118185 -0.3118185 -0.1825425 -0.1825425 0.0036544 0.0036544 0.5696703 0.5696703 0.6852462 0.6852462 0.7155317 0.7155317 0.8623884 0.8623884 1.0383300 1.0383300 1.0476854 1.0476854 1.1024185 1.1024185 1.1119180 1.1119180 1.1209152 1.1209152 1.1830556 1.1830556 1.2213405 1.2213405 1.2611274 1.2611274 1.3245297 1.3245297 1.3353267 1.3353267 1.3956256 1.3956256 1.6040762 1.6040762 2.0872837 2.0872837 2.4276342 2.4276342 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.060 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= 0.45000 0.15000 -0.05000 137 MATRIX SIZE= 100 WEIGHT=48.00 EIGENVALUES ARE: -2.1727017 -2.1727017 -0.8635175 -0.8635175 -0.3300814 -0.3300814 -0.1883681 -0.1883681 0.0116146 0.0116146 0.5681570 0.5681570 0.6726031 0.6726031 0.7130553 0.7130553 0.8608698 0.8608698 1.0375453 1.0375453 1.0458965 1.0458965 1.1020778 1.1020778 1.1124465 1.1124465 1.1226592 1.1226592 1.1783686 1.1783686 1.2266576 1.2266576 1.2978345 1.2978345 1.3502888 1.3502888 1.3697132 1.3697132 1.4454508 1.4454508 1.6515769 1.6515769 2.1477101 2.1477101 2.3269151 2.3269151 2.4594794 2.4594794 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= 0.50000 0.20000 -0.10000 138 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1702135 -2.1702135 -0.8702213 -0.8702213 -0.3483505 -0.3483505 -0.1940518 -0.1940518 0.0191898 0.0191898 0.5694272 0.5694272 0.6567808 0.6567808 0.7048108 0.7048108 0.8692479 0.8692479 1.0366012 1.0366012 1.0430314 1.0430314 1.1005101 1.1005101 1.1119849 1.1119849 1.1278746 1.1278746 1.1710159 1.1710159 1.2326808 1.2326808 1.3364378 1.3364378 1.3778244 1.3778244 1.4080123 1.4080123 1.5100292 1.5100292 1.6999399 1.6999399 2.2012574 2.2012574 2.2449694 2.2449694 2.3892692 2.3892692 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.100 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= 0.55000 0.25000 -0.15000 139 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1677931 -2.1677931 -0.8767633 -0.8767633 -0.3648206 -0.3648206 -0.1996881 -0.1996881 0.0265890 0.0265890 0.5697095 0.5697095 0.6431977 0.6431977 0.6929536 0.6929536 0.8866521 0.8866521 1.0356446 1.0356446 1.0398110 1.0398110 1.0985894 1.0985894 1.1121513 1.1121513 1.1316891 1.1316891 1.1641164 1.1641164 1.2397318 1.2397318 1.3559984 1.3559984 1.4125580 1.4125580 1.4542051 1.4542051 1.5834380 1.5834380 1.7488281 1.7488281 2.1259334 2.1259334 2.2810682 2.2810682 2.3447575 2.3447575 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.120 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 0.30000 -0.20000 140 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1656827 -2.1656827 -0.8824659 -0.8824659 -0.3783540 -0.3783540 -0.2048830 -0.2048830 0.0340156 0.0340156 0.5650739 0.5650739 0.6358716 0.6358716 0.6805294 0.6805294 0.9112926 0.9112926 1.0336307 1.0336307 1.0368924 1.0368924 1.0961490 1.0961490 1.1128565 1.1128565 1.1336852 1.1336852 1.1590623 1.1590623 1.2463764 1.2463764 1.3578614 1.3578614 1.4399749 1.4399749 1.5126443 1.5126443 1.6586459 1.6586459 1.7977852 1.7977852 2.0439461 2.0439461 2.2406064 2.2406064 2.3890182 2.3890182 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) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.010 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.65000 0.35000 -0.25000 141 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1640988 -2.1640988 -0.8867662 -0.8867662 -0.3882575 -0.3882575 -0.2090207 -0.2090207 0.0414756 0.0414756 0.5555698 0.5555698 0.6323911 0.6323911 0.6722736 0.6722736 0.9401946 0.9401946 1.0286620 1.0286620 1.0348097 1.0348097 1.0932762 1.0932762 1.1138720 1.1138720 1.1344330 1.1344330 1.1558915 1.1558915 1.2518135 1.2518135 1.3511522 1.3511522 1.4540895 1.4540895 1.5710427 1.5710427 1.7266102 1.7266102 1.8439380 1.8439380 1.9763932 1.9763932 2.2018663 2.2018663 2.3903244 2.3903244 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.170 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= 0.70000 0.40000 -0.30000 142 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1632073 -2.1632073 -0.8892209 -0.8892209 -0.3941198 -0.3941198 -0.2115051 -0.2115051 0.0487214 0.0487214 0.5448907 0.5448907 0.6256939 0.6256939 0.6733395 0.6733395 0.9691835 0.9691835 1.0196142 1.0196142 1.0324727 1.0324727 1.0907917 1.0907917 1.1150763 1.1150763 1.1346008 1.1346008 1.1540001 1.1540001 1.2571337 1.2571337 1.3418223 1.3418223 1.4543172 1.4543172 1.6099009 1.6099009 1.7762372 1.7762372 1.8764991 1.8764991 1.9382113 1.9382113 2.1932264 2.1932264 2.3432759 2.3432759 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.200 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.000 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.75000 0.45000 -0.35000 143 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1631031 -2.1631031 -0.8895900 -0.8895900 -0.3957277 -0.3957277 -0.2119050 -0.2119050 0.0552224 0.0552224 0.5360410 0.5360410 0.6157727 0.6157727 0.6818631 0.6818631 0.9926952 0.9926952 1.0057571 1.0057571 1.0297389 1.0297389 1.0899915 1.0899915 1.1164859 1.1164859 1.1346168 1.1346168 1.1527456 1.1527456 1.2650160 1.2650160 1.3333782 1.3333782 1.4412097 1.4412097 1.6076982 1.6076982 1.7996963 1.7996963 1.8870771 1.8870771 1.9380790 1.9380790 2.2123858 2.2123858 2.3121048 2.3121048 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.220 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= 0.80000 0.50000 -0.40000 144 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1637974 -2.1637974 -0.8878534 -0.8878534 -0.3930343 -0.3930343 -0.2100111 -0.2100111 0.0601817 0.0601817 0.5305145 0.5305145 0.6064478 0.6064478 0.6930360 0.6930360 0.9814288 0.9814288 1.0138185 1.0138185 1.0270378 1.0270378 1.0913065 1.0913065 1.1182939 1.1182939 1.1346429 1.1346429 1.1517760 1.1517760 1.2759220 1.2759220 1.3270405 1.3270405 1.4176996 1.4176996 1.5673250 1.5673250 1.7941154 1.7941154 1.8743185 1.8743185 1.9595982 1.9595982 2.2369041 2.2369041 2.3469071 2.3469071 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.240 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= 0.85000 0.55000 -0.45000 145 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1652165 -2.1652165 -0.8841769 -0.8841769 -0.3861684 -0.3861684 -0.2058325 -0.2058325 0.0625976 0.0625976 0.5288838 0.5288838 0.6001174 0.6001174 0.7037556 0.7037556 0.9574011 0.9574011 1.0229395 1.0229395 1.0270675 1.0270675 1.0939914 1.0939914 1.1207133 1.1207133 1.1347390 1.1347390 1.1510546 1.1510546 1.2839709 1.2839709 1.3239648 1.3239648 1.3882391 1.3882391 1.5116696 1.5116696 1.7587984 1.7587984 1.8255594 1.8255594 2.0081502 2.0081502 2.2730736 2.2730736 2.4129862 2.4129862 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.260 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= 0.90000 0.60000 -0.50000 146 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1672112 -2.1672112 -0.8789620 -0.8789620 -0.3754821 -0.3754821 -0.1995666 -0.1995666 0.0613935 0.0613935 0.5312221 0.5312221 0.5982720 0.5982720 0.7117613 0.7117613 0.9346088 0.9346088 1.0216731 1.0216731 1.0337324 1.0337324 1.0973759 1.0973759 1.1235253 1.1235253 1.1349647 1.1349647 1.1508427 1.1508427 1.2816911 1.2816911 1.3228690 1.3228690 1.3575600 1.3575600 1.4566955 1.4566955 1.6962665 1.6962665 1.7686384 1.7686384 2.0729412 2.0729412 2.2916087 2.2916087 2.4348410 2.4348410 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.280 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= 0.95000 0.65000 -0.55000 147 MATRIX SIZE= 100 WEIGHT=48.00 EIGENVALUES ARE: -2.1695754 -2.1695754 -0.8727577 -0.8727577 -0.3616043 -0.3616043 -0.1915594 -0.1915594 0.0556931 0.0556931 0.5374419 0.5374419 0.6018658 0.6018658 0.7151204 0.7151204 0.9166734 0.9166734 1.0204482 1.0204482 1.0383842 1.0383842 1.1014040 1.1014040 1.1254993 1.1254993 1.1355814 1.1355814 1.1518909 1.1518909 1.2702393 1.2702393 1.3129454 1.3129454 1.3320270 1.3320270 1.4101425 1.4101425 1.6202018 1.6202018 1.7132573 1.7132573 2.1503333 2.1503333 2.2467312 2.2467312 2.4634435 2.4634435 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.300 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 0.70000 -0.60000 148 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1720709 -2.1720709 -0.8661458 -0.8661458 -0.3454796 -0.3454796 -0.1822899 -0.1822899 0.0451954 0.0451954 0.5475785 0.5475785 0.6110953 0.6110953 0.7122710 0.7122710 0.9055684 0.9055684 1.0203189 1.0203189 1.0411029 1.0411029 1.1059425 1.1059425 1.1247515 1.1247515 1.1373851 1.1373851 1.1550188 1.1550188 1.2533318 1.2533318 1.2913088 1.2913088 1.3142698 1.3142698 1.3716272 1.3716272 1.5470172 1.5470172 1.6570561 1.6570561 2.1762606 2.1762606 2.2413182 2.2413182 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.320 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= 0.50000 0.10000 0.00000 149 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1713703 -2.1713703 -0.8663730 -0.8663730 -0.3307067 -0.3307067 -0.1986872 -0.1986872 -0.0063081 -0.0063081 0.5836177 0.5836177 0.6957998 0.6957998 0.7274977 0.7274977 0.8359519 0.8359519 1.0417860 1.0417860 1.0494160 1.0494160 1.0972456 1.0972456 1.1055820 1.1055820 1.1186818 1.1186818 1.1885047 1.1885047 1.2294427 1.2294427 1.3050131 1.3050131 1.3842787 1.3842787 1.3956036 1.3956036 1.4325704 1.4325704 1.6744863 1.6744863 2.1768908 2.1768908 2.3120288 2.3120288 2.4230483 2.4230483 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.340 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= 0.55000 0.15000 -0.05000 150 MATRIX SIZE= 100 WEIGHT=48.00 EIGENVALUES ARE: -2.1691306 -2.1691306 -0.8720382 -0.8720382 -0.3440810 -0.3440810 -0.2057992 -0.2057992 -0.0085299 -0.0085299 0.5950629 0.5950629 0.6865894 0.6865894 0.7260205 0.7260205 0.8383398 0.8383398 1.0411528 1.0411528 1.0469500 1.0469500 1.0954308 1.0954308 1.1048703 1.1048703 1.1237517 1.1237517 1.1821297 1.1821297 1.2310489 1.2310489 1.3401040 1.3401040 1.4118565 1.4118565 1.4339692 1.4339692 1.4807428 1.4807428 1.7122439 1.7122439 2.2104437 2.2104437 2.2462011 2.2462011 2.3698139 2.3698139 2.4916279 2.4916279 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.360 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= 0.60000 0.20000 -0.10000 151 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1668927 -2.1668927 -0.8776994 -0.8776994 -0.3575062 -0.3575062 -0.2132836 -0.2132836 -0.0072659 -0.0072659 0.6032399 0.6032399 0.6759297 0.6759297 0.7200919 0.7200919 0.8509671 0.8509671 1.0396450 1.0396450 1.0441632 1.0441632 1.0938951 1.0938951 1.1057778 1.1057778 1.1276158 1.1276158 1.1734886 1.1734886 1.2333561 1.2333561 1.3746704 1.3746704 1.4376561 1.4376561 1.4679560 1.4679560 1.5446654 1.5446654 1.7542357 1.7542357 2.1192392 2.1192392 2.2797318 2.2797318 2.3450076 2.3450076 2.4799988 2.4799988 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.380 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= 0.65000 0.25000 -0.15000 152 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1648784 -2.1648784 -0.8828064 -0.8828064 -0.3695964 -0.3695964 -0.2207911 -0.2207911 -0.0023487 -0.0023487 0.6021410 0.6021410 0.6696327 0.6696327 0.7131200 0.7131200 0.8724742 0.8724742 1.0366235 1.0366235 1.0418278 1.0418278 1.0920061 1.0920061 1.1074545 1.1074545 1.1296242 1.1296242 1.1654459 1.1654459 1.2368048 1.2368048 1.3871401 1.3871401 1.4688712 1.4688712 1.5029155 1.5029155 1.6149634 1.6149634 1.8020070 1.8020070 2.0322035 2.0322035 2.2427923 2.2427923 2.3821786 2.3821786 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.400 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= 0.70000 0.30000 -0.20000 153 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1632924 -2.1632924 -0.8868615 -0.8868615 -0.3794415 -0.3794415 -0.2272632 -0.2272632 0.0056228 0.0056228 0.5916560 0.5916560 0.6646263 0.6646263 0.7108765 0.7108765 0.9009477 0.9009477 1.0316163 1.0316163 1.0393793 1.0393793 1.0894664 1.0894664 1.1094692 1.1094692 1.1300282 1.1300282 1.1593819 1.1593819 1.2410996 1.2410996 1.3780818 1.3780818 1.4880108 1.4880108 1.5483265 1.5483265 1.6823346 1.6823346 1.8537647 1.8537647 1.9580845 1.9580845 2.2121782 2.2121782 2.3917541 2.3917541 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.420 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= 0.75000 0.35000 -0.25000 154 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1622993 -2.1622993 -0.8894519 -0.8894519 -0.3864493 -0.3864493 -0.2315442 -0.2315442 0.0156981 0.0156981 0.5774281 0.5774281 0.6543136 0.6543136 0.7163932 0.7163932 0.9332686 0.9332686 1.0233906 1.0233906 1.0361407 1.0361407 1.0867982 1.0867982 1.1115672 1.1115672 1.1295239 1.1295239 1.1553477 1.1553477 1.2468789 1.2468789 1.3604711 1.3604711 1.4887051 1.4887051 1.5872734 1.5872734 1.7378541 1.7378541 1.8893552 1.8893552 1.9212019 1.9212019 2.2081173 2.2081173 2.3695963 2.3695963 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.440 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= 0.80000 0.40000 -0.30000 155 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1620040 -2.1620040 -0.8903428 -0.8903428 -0.3902407 -0.3902407 -0.2327822 -0.2327822 0.0268068 0.0268068 0.5635013 0.5635013 0.6402712 0.6402712 0.7254652 0.7254652 0.9651289 0.9651289 1.0098274 1.0098274 1.0324460 1.0324460 1.0852078 1.0852078 1.1136387 1.1136387 1.1289255 1.1289255 1.1527385 1.1527385 1.2561151 1.2561151 1.3422764 1.3422764 1.4741800 1.4741800 1.5941339 1.5941339 1.7749371 1.7749371 1.8819784 1.8819784 1.9514903 1.9514903 2.2276631 2.2276631 2.3322606 2.3322606 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.470 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= 0.85000 0.45000 -0.35000 156 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1624382 -2.1624382 -0.8894829 -0.8894829 -0.3906128 -0.3906128 -0.2305539 -0.2305539 0.0378053 0.0378053 0.5517209 0.5517209 0.6257685 0.6257685 0.7337330 0.7337330 0.9870999 0.9870999 0.9956887 0.9956887 1.0288715 1.0288715 1.0855619 1.0855619 1.1158351 1.1158351 1.1288258 1.1288258 1.1509669 1.1509669 1.2705670 1.2705670 1.3269440 1.3269440 1.4484207 1.4484207 1.5640597 1.5640597 1.7919481 1.7919481 1.9004784 1.9004784 1.9575290 1.9575290 2.2391815 2.2391815 2.3478380 2.3478380 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.490 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= 0.90000 0.50000 -0.40000 157 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1635561 -2.1635561 -0.8870045 -0.8870045 -0.3875659 -0.3875659 -0.2248454 -0.2248454 0.0474505 0.0474505 0.5428775 0.5428775 0.6130150 0.6130150 0.7383976 0.7383976 0.9669787 0.9669787 1.0132282 1.0132282 1.0258290 1.0258290 1.0877828 1.0877828 1.1185789 1.1185789 1.1293953 1.1293953 1.1497334 1.1497334 1.2878924 1.2878924 1.3156353 1.3156353 1.4164043 1.4164043 1.5178135 1.5178135 1.7849881 1.7849881 1.8980014 1.8980014 1.9571804 1.9571804 2.2595927 2.2595927 2.4107686 2.4107686 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.510 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= 0.95000 0.55000 -0.45000 158 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1652405 -2.1652405 -0.8831003 -0.8831003 -0.3813271 -0.3813271 -0.2159716 -0.2159716 0.0544131 0.0544131 0.5373242 0.5373242 0.6038122 0.6038122 0.7374670 0.7374670 0.9455610 0.9455610 1.0220328 1.0220328 1.0272867 1.0272867 1.0913764 1.0913764 1.1220249 1.1220249 1.1305340 1.1305340 1.1490743 1.1490743 1.2938782 1.2938782 1.3152745 1.3152745 1.3831208 1.3831208 1.4728268 1.4728268 1.7526127 1.7526127 1.8312815 1.8312815 2.0088534 2.0088534 2.2890902 2.2890902 2.4646164 2.4646164 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.540 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 0.60000 -0.50000 159 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1673171 -2.1673171 -0.8782046 -0.8782046 -0.3724180 -0.3724180 -0.2045624 -0.2045624 0.0574321 0.0574321 0.5353367 0.5353367 0.5997423 0.5997423 0.7297508 0.7297508 0.9281856 0.9281856 1.0208919 1.0208919 1.0343765 1.0343765 1.0959948 1.0959948 1.1250450 1.1250450 1.1324057 1.1324057 1.1495122 1.1495122 1.2842031 1.2842031 1.3199746 1.3199746 1.3535736 1.3535736 1.4372224 1.4372224 1.6929134 1.6929134 1.7672646 1.7672646 2.0743805 2.0743805 2.2889451 2.2889451 2.4610476 2.4610476 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.560 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= 0.60000 0.10000 0.00000 160 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1677037 -2.1677037 -0.8747852 -0.8747852 -0.3423017 -0.3423017 -0.2148859 -0.2148859 -0.0364465 -0.0364465 0.6221248 0.6221248 0.7142176 0.7142176 0.7414963 0.7414963 0.8130385 0.8130385 1.0430879 1.0430879 1.0486295 1.0486295 1.0931351 1.0931351 1.0988912 1.0988912 1.1233195 1.1233195 1.1917568 1.1917568 1.2333702 1.2333702 1.3474969 1.3474969 1.4410526 1.4410526 1.4532767 1.4532767 1.4878496 1.4878496 1.7213179 1.7213179 2.1962284 2.1962284 2.2736682 2.2736682 2.3426600 2.3426600 2.4013617 2.4013617 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.580 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= 0.65000 0.15000 -0.05000 161 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1657171 -2.1657171 -0.8794996 -0.8794996 -0.3510838 -0.3510838 -0.2237073 -0.2237073 -0.0423867 -0.0423867 0.6351541 0.6351541 0.7113636 0.7113636 0.7425069 0.7425069 0.8194342 0.8194342 1.0417172 1.0417172 1.0464805 1.0464805 1.0918592 1.0918592 1.1002888 1.1002888 1.1263039 1.1263039 1.1845524 1.1845524 1.2331032 1.2331032 1.3800736 1.3800736 1.4666428 1.4666428 1.4934379 1.4934379 1.5239644 1.5239644 1.7541288 1.7541288 2.1063006 2.1063006 2.2767231 2.2767231 2.3486242 2.3486242 2.4053283 2.4053283 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.610 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= 0.70000 0.20000 -0.10000 162 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1638860 -2.1638860 -0.8838470 -0.8838470 -0.3600824 -0.3600824 -0.2337277 -0.2337277 -0.0405988 -0.0405988 0.6360771 0.6360771 0.7067705 0.7067705 0.7445088 0.7445088 0.8358301 0.8358301 1.0387428 1.0387428 1.0446783 1.0446783 1.0906667 1.0906667 1.1024645 1.1024645 1.1280308 1.1280308 1.1751047 1.1751047 1.2332259 1.2332259 1.4097494 1.4097494 1.4808024 1.4808024 1.5257395 1.5257395 1.5757532 1.5757532 1.7993114 1.7993114 2.0194727 2.0194727 2.2442960 2.2442960 2.3553014 2.3553014 2.4761707 2.4761707 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.630 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= 0.75000 0.25000 -0.15000 163 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1623946 -2.1623946 -0.8874264 -0.8874264 -0.3684661 -0.3684661 -0.2432729 -0.2432729 -0.0323213 -0.0323213 0.6256119 0.6256119 0.6986628 0.6986628 0.7512729 0.7512729 0.8608763 0.8608763 1.0341609 1.0341609 1.0425869 1.0425869 1.0888463 1.0888463 1.1048978 1.1048978 1.1282450 1.1282450 1.1662452 1.1662452 1.2345446 1.2345446 1.4116932 1.4116932 1.5045834 1.5045834 1.5452015 1.5452015 1.6366347 1.6366347 1.8533988 1.8533988 1.9461972 1.9461972 2.2226764 2.2226764 2.3592656 2.3592656 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.650 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= 0.80000 0.30000 -0.20000 164 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1613965 -2.1613965 -0.8899323 -0.8899323 -0.3757349 -0.3757349 -0.2500984 -0.2500984 -0.0195470 -0.0195470 0.6095827 0.6095827 0.6852947 0.6852947 0.7606815 0.7606815 0.8927250 0.8927250 1.0272615 1.0272615 1.0394533 1.0394533 1.0863515 1.0863515 1.1073946 1.1073946 1.1272932 1.1272932 1.1594118 1.1594118 1.2376256 1.2376256 1.3913502 1.3913502 1.5197335 1.5197335 1.5644072 1.5644072 1.6934025 1.6934025 1.8720680 1.8720680 1.9335465 1.9335465 2.2224160 2.2224160 2.3556907 2.3556907 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= 0.85000 0.35000 -0.25000 165 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1609960 -2.1609960 -0.8911043 -0.8911043 -0.3814626 -0.3814626 -0.2525578 -0.2525578 -0.0041251 -0.0041251 0.5921450 0.5921450 0.6683324 0.6683324 0.7685557 0.7685557 0.9280552 0.9280552 1.0162391 1.0162391 1.0354812 1.0354812 1.0840408 1.0840408 1.1098783 1.1098783 1.1259720 1.1259720 1.1547183 1.1547183 1.2438497 1.2438497 1.3665462 1.3665462 1.5084224 1.5084224 1.5759226 1.5759226 1.7386200 1.7386200 1.8534354 1.8534354 1.9871515 1.9871515 2.2359536 2.2359536 2.3369627 2.3369627 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.700 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= 0.90000 0.40000 -0.30000 166 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1612360 -2.1612360 -0.8907792 -0.8907792 -0.3851736 -0.3851736 -0.2499670 -0.2499670 0.0124098 0.0124098 0.5753432 0.5753432 0.6497931 0.6497931 0.7718584 0.7718584 0.9623660 0.9623660 1.0002603 1.0002603 1.0314794 1.0314794 1.0829999 1.0829999 1.1123989 1.1123989 1.1252522 1.1252522 1.1516557 1.1516557 1.2551287 1.2551287 1.3445458 1.3445458 1.4822375 1.4822375 1.5603355 1.5603355 1.7708689 1.7708689 1.8652185 1.8652185 2.0216354 2.0216354 2.2278245 2.2278245 2.3509961 2.3509961 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= 0.95000 0.45000 -0.35000 167 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1620917 -2.1620917 -0.8892560 -0.8892560 -0.3864668 -0.3864668 -0.2424690 -0.2424690 0.0286081 0.0286081 0.5601819 0.5601819 0.6315309 0.6315309 0.7683932 0.7683932 0.9794618 0.9794618 0.9929892 0.9929892 1.0279519 1.0279519 1.0838153 1.0838153 1.1152483 1.1152483 1.1257706 1.1257706 1.1497539 1.1497539 1.2721244 1.2721244 1.3268677 1.3268677 1.4492383 1.4492383 1.5283596 1.5283596 1.7871475 1.7871475 1.8975690 1.8975690 1.9964078 1.9964078 2.2325952 2.2325952 2.4004671 2.4004671 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.740 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= 0.000, Horb= 0.000 K= 1.00000 0.50000 -0.40000 168 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1634742 -2.1634742 -0.8866120 -0.8866120 -0.3851380 -0.3851380 -0.2307663 -0.2307663 0.0430825 0.0430825 0.5472970 0.5472970 0.6155086 0.6155086 0.7568828 0.7568828 0.9612734 0.9612734 1.0130663 1.0130663 1.0252623 1.0252623 1.0866663 1.0866663 1.1187062 1.1187062 1.1275397 1.1275397 1.1488376 1.1488376 1.2913263 1.2913263 1.3133677 1.3133677 1.4149110 1.4149110 1.4964858 1.4964858 1.7818441 1.7818441 1.9065645 1.9065645 1.9593690 1.9593690 2.2641342 2.2641342 2.4467230 2.4467230 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.760 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= 0.70000 0.10000 0.00000 169 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1643777 -2.1643777 -0.8819105 -0.8819105 -0.3468223 -0.3468223 -0.2301639 -0.2301639 -0.0749569 -0.0749569 0.6611769 0.6611769 0.7450596 0.7450596 0.7595587 0.7595587 0.7954204 0.7954204 1.0428479 1.0428479 1.0462557 1.0462557 1.0924255 1.0924255 1.0970585 1.0970585 1.1267861 1.1267861 1.1939008 1.1939008 1.2356803 1.2356803 1.3864005 1.3864005 1.4732041 1.4732041 1.5148857 1.5148857 1.5511928 1.5511928 1.7487603 1.7487603 2.0778630 2.0778630 2.2651947 2.2651947 2.3206802 2.3206802 2.4035132 2.4035132 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.780 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= 0.75000 0.15000 -0.05000 170 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1628004 -2.1628004 -0.8854254 -0.8854254 -0.3514406 -0.3514406 -0.2414645 -0.2414645 -0.0780026 -0.0780026 0.6637711 0.6637711 0.7399226 0.7399226 0.7744899 0.7744899 0.8059226 0.8059226 1.0402970 1.0402970 1.0454054 1.0454054 1.0919635 1.0919635 1.0991587 1.0991587 1.1280997 1.1280997 1.1861900 1.1861900 1.2342955 1.2342955 1.4154570 1.4154570 1.5014671 1.5014671 1.5357274 1.5357274 1.5734922 1.5734922 1.7867190 1.7867190 1.9997489 1.9997489 2.2427667 2.2427667 2.3175997 2.3175997 2.4820738 2.4820738 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.800 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= 0.80000 0.20000 -0.10000 171 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1614926 -2.1614926 -0.8883740 -0.8883740 -0.3566958 -0.3566958 -0.2543234 -0.2543234 -0.0703601 -0.0703601 0.6550114 0.6550114 0.7294145 0.7294145 0.7903470 0.7903470 0.8250502 0.8250502 1.0363778 1.0363778 1.0444041 1.0444041 1.0909713 1.0909713 1.1014359 1.1014359 1.1281994 1.1281994 1.1761565 1.1761565 1.2330302 1.2330302 1.4395498 1.4395498 1.5003615 1.5003615 1.5695261 1.5695261 1.5994691 1.5994691 1.8383049 1.8383049 1.9351827 1.9351827 2.2310536 2.2310536 2.3247405 2.3247405 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.820 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= 0.85000 0.25000 -0.15000 172 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1605878 -2.1605878 -0.8905123 -0.8905123 -0.3627031 -0.3627031 -0.2646344 -0.2646344 -0.0553522 -0.0553522 0.6392770 0.6392770 0.7149598 0.7149598 0.8018360 0.8018360 0.8529849 0.8529849 1.0309607 1.0309607 1.0422727 1.0422727 1.0888715 1.0888715 1.1037737 1.1037737 1.1271064 1.1271064 1.1666903 1.1666903 1.2331190 1.2331190 1.4287844 1.4287844 1.5146956 1.5146956 1.5760844 1.5760844 1.6470438 1.6470438 1.8509881 1.8509881 1.9376513 1.9376513 2.2326731 2.2326731 2.3337929 2.3337929 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.840 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= 0.90000 0.30000 -0.20000 173 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1601798 -2.1601798 -0.8916756 -0.8916756 -0.3696117 -0.3696117 -0.2689598 -0.2689598 -0.0360312 -0.0360312 0.6201460 0.6201460 0.6967257 0.6967257 0.8066521 0.8066521 0.8876802 0.8876802 1.0229201 1.0229201 1.0387875 1.0387875 1.0860204 1.0860204 1.1062085 1.1062085 1.1253799 1.1253799 1.1593197 1.1593197 1.2357265 1.2357265 1.3992961 1.3992961 1.5273527 1.5273527 1.5691917 1.5691917 1.6954612 1.6954612 1.8300070 1.8300070 2.0034377 2.0034377 2.2334686 2.2334686 2.3398621 2.3398621 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.860 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= 0.95000 0.35000 -0.25000 174 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1603122 -2.1603122 -0.8918010 -0.8918010 -0.3767311 -0.3767311 -0.2661113 -0.2661113 -0.0145599 -0.0145599 0.5997756 0.5997756 0.6756290 0.6756290 0.8033405 0.8033405 0.9253656 0.9253656 1.0110538 1.0110538 1.0347272 1.0347272 1.0835468 1.0835468 1.1088349 1.1088349 1.1240169 1.1240169 1.1542722 1.1542722 1.2424155 1.2424155 1.3705054 1.3705054 1.5126364 1.5126364 1.5599988 1.5599988 1.7365678 1.7365678 1.8343210 1.8343210 2.0648575 2.0648575 2.2065997 2.2065997 2.3596955 2.3596955 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.880 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= 1.00000 0.40000 -0.30000 175 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1609721 -2.1609721 -0.8908502 -0.8908502 -0.3827097 -0.3827097 -0.2567870 -0.2567870 0.0074742 0.0074742 0.5794780 0.5794780 0.6532199 0.6532199 0.7906147 0.7906147 0.9614030 0.9614030 0.9962843 0.9962843 1.0309944 1.0309944 1.0825451 1.0825451 1.1118182 1.1118182 1.1240020 1.1240020 1.1512004 1.1512004 1.2546276 1.2546276 1.3463353 1.3463353 1.4828693 1.4828693 1.5443936 1.5443936 1.7691220 1.7691220 1.8603540 1.8603540 2.0661246 2.0661246 2.1986337 2.1986337 2.3848307 2.3848307 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.80000 0.10000 0.00000 176 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1617260 -2.1617260 -0.8872588 -0.8872588 -0.3453655 -0.3453655 -0.2438380 -0.2438380 -0.1108331 -0.1108331 0.6835824 0.6835824 0.7604811 0.7604811 0.7828283 0.7828283 0.8075793 0.8075793 1.0411545 1.0411545 1.0456719 1.0456719 1.0942594 1.0942594 1.0978303 1.0978303 1.1290554 1.1290554 1.1954203 1.1954203 1.2372504 1.2372504 1.4182301 1.4182301 1.4969300 1.4969300 1.5574372 1.5574372 1.6036984 1.6036984 1.7681596 1.7681596 1.9651808 1.9651808 2.2388995 2.2388995 2.3028612 2.3028612 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= 0.85000 0.15000 -0.05000 177 MATRIX SIZE= 94 WEIGHT=48.00 EIGENVALUES ARE: -2.1606739 -2.1606739 -0.8895002 -0.8895002 -0.3467176 -0.3467176 -0.2579678 -0.2579678 -0.1061871 -0.1061871 0.6782819 0.6782819 0.7524361 0.7524361 0.7960182 0.7960182 0.8258430 0.8258430 1.0381387 1.0381387 1.0460408 1.0460408 1.0941944 1.0941944 1.0994995 1.0994995 1.1291473 1.1291473 1.1872826 1.1872826 1.2351102 1.2351102 1.4424178 1.4424178 1.5214733 1.5214733 1.5520869 1.5520869 1.6156134 1.6156134 1.8137296 1.8137296 1.9117040 1.9117040 2.2375227 2.2375227 2.3165141 2.3165141 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.90000 0.20000 -0.10000 178 MATRIX SIZE= 94 WEIGHT=48.00 EIGENVALUES ARE: -2.1599528 -2.1599528 -0.8911200 -0.8911200 -0.3497971 -0.3497971 -0.2721203 -0.2721203 -0.0900871 -0.0900871 0.6647964 0.6647964 0.7399381 0.7399381 0.8182633 0.8182633 0.8358223 0.8358223 1.0342130 1.0342130 1.0451813 1.0451813 1.0927456 1.0927456 1.1012649 1.1012649 1.1281203 1.1281203 1.1767797 1.1767797 1.2329557 1.2329557 1.4625628 1.4625628 1.4996108 1.4996108 1.5892563 1.5892563 1.6183728 1.6183728 1.8349460 1.8349460 1.9134888 1.9134888 2.2408604 2.2408604 2.3366415 2.3366415 2.4881026 2.4881026 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.970 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= 0.95000 0.25000 -0.15000 179 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1596371 -2.1596371 -0.8920454 -0.8920454 -0.3563567 -0.3563567 -0.2793523 -0.2793523 -0.0675203 -0.0675203 0.6459182 0.6459182 0.7224768 0.7224768 0.8353373 0.8353373 0.8495864 0.8495864 1.0288455 1.0288455 1.0425202 1.0425202 1.0897702 1.0897702 1.1033094 1.1033094 1.1263284 1.1263284 1.1668912 1.1668912 1.2324619 1.2324619 1.4384428 1.4384428 1.5100968 1.5100968 1.5925351 1.5925351 1.6494637 1.6494637 1.8173986 1.8173986 1.9799028 1.9799028 2.2359481 2.2359481 2.3566267 2.3566267 2.4651450 2.4651450 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 3.990 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 0.30000 -0.20000 180 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1597607 -2.1597607 -0.8922462 -0.8922462 -0.3662890 -0.3662890 -0.2767840 -0.2767840 -0.0416888 -0.0416888 0.6237285 0.6237285 0.7005716 0.7005716 0.8250241 0.8250241 0.8860753 0.8860753 1.0211496 1.0211496 1.0386029 1.0386029 1.0862369 1.0862369 1.1057856 1.1057856 1.1246229 1.1246229 1.1592648 1.1592648 1.2351324 1.2351324 1.4023191 1.4023191 1.5233808 1.5233808 1.5720728 1.5720728 1.6949568 1.6949568 1.8158275 1.8158275 2.0450034 2.0450034 2.2139903 2.2139903 2.3665445 2.3665445 2.4735523 2.4735523 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.010 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= 0.90000 0.10000 0.00000 181 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1600178 -2.1600178 -0.8905672 -0.8905672 -0.3407569 -0.3407569 -0.2546302 -0.2546302 -0.1358420 -0.1358420 0.6940305 0.6940305 0.7626132 0.7626132 0.7818575 0.7818575 0.8515113 0.8515113 1.0390335 1.0390335 1.0481900 1.0481900 1.0969658 1.0969658 1.0989228 1.0989228 1.1303412 1.1303412 1.1964031 1.1964031 1.2383049 1.2383049 1.4382511 1.4382511 1.5122087 1.5122087 1.5766285 1.5766285 1.6370940 1.6370940 1.7873703 1.7873703 1.8778702 1.8778702 2.2491541 2.2491541 2.3332013 2.3332013 2.4891290 2.4891290 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.040 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= 0.95000 0.15000 -0.05000 182 MATRIX SIZE= 94 WEIGHT=48.00 EIGENVALUES ARE: -2.1595534 -2.1595534 -0.8915781 -0.8915781 -0.3410970 -0.3410970 -0.2694872 -0.2694872 -0.1214173 -0.1214173 0.6845997 0.6845997 0.7570561 0.7570561 0.7933522 0.7933522 0.8584458 0.8584458 1.0366436 1.0366436 1.0481699 1.0481699 1.0964332 1.0964332 1.0997312 1.0997312 1.1295991 1.1295991 1.1878521 1.1878521 1.2355900 1.2355900 1.4565428 1.4565428 1.5296768 1.5296768 1.5557002 1.5557002 1.6376164 1.6376164 1.8259792 1.8259792 1.8648859 1.8648859 2.2552730 2.2552730 2.3606032 2.3606032 2.4539757 2.4539757 2.4807990 2.4807990 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.060 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 0.20000 -0.10000 183 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1594216 -2.1594216 -0.8920437 -0.8920437 -0.3456757 -0.3456757 -0.2800237 -0.2800237 -0.0968970 -0.0968970 0.6679377 0.6679377 0.7432270 0.7432270 0.8164463 0.8164463 0.8534810 0.8534810 1.0333690 1.0333690 1.0460989 1.0460989 1.0937104 1.0937104 1.1012034 1.1012034 1.1280299 1.1280299 1.1769891 1.1769891 1.2329539 1.2329539 1.4750244 1.4750244 1.4920237 1.4920237 1.5944118 1.5944118 1.6254909 1.6254909 1.8185931 1.8185931 1.9226830 1.9226830 2.2495726 2.2495726 2.3736032 2.3736032 2.4411029 2.4411029 2.4738343 2.4738343 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.080 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 0.10000 0.00000 184 MATRIX SIZE= 94 WEIGHT=12.00 EIGENVALUES ARE: -2.1594282 -2.1594282 -0.8916843 -0.8916843 -0.3380914 -0.3380914 -0.2591397 -0.2591397 -0.1447600 -0.1447600 0.6971699 0.6971699 0.7618242 0.7618242 0.7829671 0.7829671 0.8687024 0.8687024 1.0382080 1.0382080 1.0500833 1.0500833 1.0987986 1.0987986 1.0988563 1.0988563 1.1307572 1.1307572 1.1967534 1.1967534 1.2387088 1.2387088 1.4445549 1.4445549 1.5175040 1.5175040 1.5815552 1.5815552 1.6482135 1.6482135 1.8043196 1.8043196 1.8357023 1.8357023 2.2665768 2.2665768 2.3829263 2.3829263 2.4380772 2.4380772 2.4497779 2.4497779 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.100 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= 0.40000 0.20000 0.00000 185 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1738637 -2.1738637 -0.8608920 -0.8608920 -0.3275567 -0.3275567 -0.1800139 -0.1800139 0.0222325 0.0222325 0.5620496 0.5620496 0.6476406 0.6476406 0.7107295 0.7107295 0.8819722 0.8819722 1.0300715 1.0300715 1.0438280 1.0438280 1.1058351 1.1058351 1.1180988 1.1180988 1.1301164 1.1301164 1.1690144 1.1690144 1.2293855 1.2293855 1.2788346 1.2788346 1.3213025 1.3213025 1.3465726 1.3465726 1.4617167 1.4617167 1.6236458 1.6236458 2.1225897 2.1225897 2.3376292 2.3376292 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.120 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= 0.45000 0.25000 -0.05000 186 MATRIX SIZE= 100 WEIGHT=48.00 EIGENVALUES ARE: -2.1713839 -2.1713839 -0.8675929 -0.8675929 -0.3459469 -0.3459469 -0.1874479 -0.1874479 0.0339705 0.0339705 0.5557537 0.5557537 0.6309205 0.6309205 0.7111136 0.7111136 0.8877385 0.8877385 1.0292235 1.0292235 1.0419694 1.0419694 1.1028030 1.1028030 1.1199096 1.1199096 1.1309267 1.1309267 1.1632919 1.1632919 1.2412026 1.2412026 1.3100277 1.3100277 1.3425171 1.3425171 1.3849805 1.3849805 1.5257837 1.5257837 1.6770196 1.6770196 2.1888956 2.1888956 2.2401697 2.2401697 2.4603613 2.4603613 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.140 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 0.30000 -0.10000 187 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1688802 -2.1688802 -0.8743351 -0.8743351 -0.3628238 -0.3628238 -0.1944286 -0.1944286 0.0432148 0.0432148 0.5508749 0.5508749 0.6184950 0.6184950 0.7053797 0.7053797 0.9019241 0.9019241 1.0291688 1.0291688 1.0387734 1.0387734 1.0996396 1.0996396 1.1196404 1.1196404 1.1333443 1.1333443 1.1581063 1.1581063 1.2520627 1.2520627 1.3328571 1.3328571 1.3692551 1.3692551 1.4283877 1.4283877 1.6000373 1.6000373 1.7303704 1.7303704 2.1435827 2.1435827 2.2638584 2.2638584 2.4029236 2.4029236 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.170 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= 0.55000 0.35000 -0.15000 188 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1666007 -2.1666007 -0.8804794 -0.8804794 -0.3769517 -0.3769517 -0.2005487 -0.2005487 0.0499226 0.0499226 0.5451542 0.5451542 0.6131628 0.6131628 0.6955433 0.6955433 0.9231942 0.9231942 1.0295408 1.0295408 1.0344121 1.0344121 1.0968089 1.0968089 1.1187244 1.1187244 1.1348045 1.1348045 1.1547545 1.1547545 1.2609861 1.2609861 1.3379570 1.3379570 1.4000870 1.4000870 1.4817708 1.4817708 1.6756528 1.6756528 1.7828336 1.7828336 2.0647707 2.0647707 2.2768673 2.2768673 2.3946384 2.3946384 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.190 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= 0.60000 0.40000 -0.20000 189 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1647773 -2.1647773 -0.8853853 -0.8853853 -0.3875170 -0.3875170 -0.2053502 -0.2053502 0.0543664 0.0543664 0.5387308 0.5387308 0.6145342 0.6145342 0.6839762 0.6839762 0.9489743 0.9489743 1.0264465 1.0264465 1.0316060 1.0316060 1.0940992 1.0940992 1.1178157 1.1178157 1.1352872 1.1352872 1.1531357 1.1531357 1.2662583 1.2662583 1.3339613 1.3339613 1.4257282 1.4257282 1.5409432 1.5409432 1.7412349 1.7412349 1.8325425 1.8325425 1.9985210 1.9985210 2.2341088 2.2341088 2.3940265 2.3940265 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.210 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= 0.65000 0.45000 -0.25000 190 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1635997 -2.1635997 -0.8885445 -0.8885445 -0.3940271 -0.3940271 -0.2084209 -0.2084209 0.0568751 0.0568751 0.5337132 0.5337132 0.6191063 0.6191063 0.6737381 0.6737381 0.9752615 0.9752615 1.0161921 1.0161921 1.0320980 1.0320980 1.0917546 1.0917546 1.1172163 1.1172163 1.1353685 1.1353685 1.1525458 1.1525458 1.2674470 1.2674470 1.3287431 1.3287431 1.4427690 1.4427690 1.5928302 1.5928302 1.7842312 1.7842312 1.8694372 1.8694372 1.9528464 1.9528464 2.2055512 2.2055512 2.3430219 2.3430219 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.230 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= 0.70000 0.50000 -0.30000 191 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1631927 -2.1631927 -0.8896336 -0.8896336 -0.3962238 -0.3962238 -0.2094779 -0.2094779 0.0576834 0.0576834 0.5318458 0.5318458 0.6217361 0.6217361 0.6692887 0.6692887 0.9939239 0.9939239 1.0037953 1.0037953 1.0323873 1.0323873 1.0907528 1.0907528 1.1170182 1.1170182 1.1353703 1.1353703 1.1524164 1.1524164 1.2671078 1.2671078 1.3267047 1.3267047 1.4488152 1.4488152 1.6153999 1.6153999 1.7980745 1.7980745 1.8797718 1.8797718 1.9392470 1.9392470 2.2014105 2.2014105 2.3122250 2.3122250 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.250 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= 0.50000 0.20000 0.00000 192 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1704685 -2.1704685 -0.8692181 -0.8692181 -0.3438315 -0.3438315 -0.1970193 -0.1970193 0.0136567 0.0136567 0.5732547 0.5732547 0.6582337 0.6582337 0.7215212 0.7215212 0.8613513 0.8613513 1.0370733 1.0370733 1.0445503 1.0445503 1.0981637 1.0981637 1.1129837 1.1129837 1.1250797 1.1250797 1.1731810 1.1731810 1.2346613 1.2346613 1.3209798 1.3209798 1.3768759 1.3768759 1.4046543 1.4046543 1.4969995 1.4969995 1.6951267 1.6951267 2.2065117 2.2065117 2.2340142 2.2340142 2.4240989 2.4240989 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.270 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= 0.55000 0.25000 -0.05000 193 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1681467 -2.1681467 -0.8751353 -0.8751353 -0.3575995 -0.3575995 -0.2058898 -0.2058898 0.0164110 0.0164110 0.5782148 0.5782148 0.6454127 0.6454127 0.7237193 0.7237193 0.8711451 0.8711451 1.0364985 1.0364985 1.0416690 1.0416690 1.0949909 1.0949909 1.1132609 1.1132609 1.1284094 1.1284094 1.1661431 1.1661431 1.2414787 1.2414787 1.3478036 1.3478036 1.4021306 1.4021306 1.4362373 1.4362373 1.5648993 1.5648993 1.7413033 1.7413033 2.1405043 2.1405043 2.2667717 2.2667717 2.3893892 2.3893892 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.290 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= 0.60000 0.30000 -0.10000 194 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1659642 -2.1659642 -0.8806965 -0.8806965 -0.3700173 -0.3700173 -0.2144131 -0.2144131 0.0199994 0.0199994 0.5772645 0.5772645 0.6405419 0.6405419 0.7206784 0.7206784 0.8892386 0.8892386 1.0349700 1.0349700 1.0385300 1.0385300 1.0924577 1.0924577 1.1136276 1.1136276 1.1302760 1.1302760 1.1597416 1.1597416 1.2477999 1.2477999 1.3601769 1.3601769 1.4323529 1.4323529 1.4721152 1.4721152 1.6372720 1.6372720 1.7909167 1.7909167 2.0580525 2.0580525 2.2710189 2.2710189 2.3941046 2.3941046 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.310 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= 0.65000 0.35000 -0.15000 195 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1641409 -2.1641409 -0.8853283 -0.8853283 -0.3800968 -0.3800968 -0.2217331 -0.2217331 0.0242786 0.0242786 0.5693594 0.5693594 0.6441181 0.6441181 0.7146388 0.7146388 0.9140697 0.9140697 1.0292125 1.0292125 1.0375227 1.0375227 1.0900143 1.0900143 1.1141591 1.1141591 1.1304576 1.1304576 1.1552697 1.1552697 1.2539275 1.2539275 1.3528102 1.3528102 1.4612275 1.4612275 1.5188078 1.5188078 1.7028983 1.7028983 1.8428065 1.8428065 1.9863750 1.9863750 2.2342323 2.2342323 2.4037458 2.4037458 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.70000 0.40000 -0.20000 196 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1628648 -2.1628648 -0.8885713 -0.8885713 -0.3871852 -0.3871852 -0.2269701 -0.2269701 0.0289133 0.0289133 0.5595697 0.5595697 0.6491280 0.6491280 0.7092118 0.7092118 0.9428782 0.9428782 1.0189857 1.0189857 1.0370515 1.0370515 1.0875992 1.0875992 1.1149066 1.1149066 1.1296983 1.1296983 1.1527029 1.1527029 1.2601851 1.2601851 1.3367756 1.3367756 1.4784983 1.4784983 1.5680638 1.5680638 1.7513984 1.7513984 1.8862372 1.8862372 1.9346048 1.9346048 2.2123735 2.2123735 2.3781009 2.3781009 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= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.75000 0.45000 -0.25000 197 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1622699 -2.1622699 -0.8900847 -0.8900847 -0.3908846 -0.3908846 -0.2294356 -0.2294356 0.0334704 0.0334704 0.5517810 0.5517810 0.6485935 0.6485935 0.7089222 0.7089222 0.9714610 0.9714610 1.0034060 1.0034060 1.0361637 1.0361637 1.0859851 1.0859851 1.1158292 1.1158292 1.1289302 1.1289302 1.1513477 1.1513477 1.2676057 1.2676057 1.3212535 1.3212535 1.4822257 1.4822257 1.5971675 1.5971675 1.7766548 1.7766548 1.8891525 1.8891525 1.9347039 1.9347039 2.2191603 2.2191603 2.3373254 2.3373254 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) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.80000 0.50000 -0.30000 198 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1624193 -2.1624193 -0.8897824 -0.8897824 -0.3910100 -0.3910100 -0.2287581 -0.2287581 0.0374691 0.0374691 0.5476025 0.5476025 0.6410879 0.6410879 0.7144288 0.7144288 0.9798211 0.9798211 0.9980351 0.9980351 1.0347462 1.0347462 1.0860468 1.0860468 1.1168450 1.1168450 1.1287542 1.1287542 1.1506457 1.1506457 1.2759010 1.2759010 1.3124494 1.3124494 1.4723833 1.4723833 1.5848129 1.5848129 1.7840813 1.7840813 1.8950813 1.8950813 1.9395160 1.9395160 2.2251157 2.2251157 2.3396106 2.3396106 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.390 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= 0.85000 0.55000 -0.35000 199 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1632974 -2.1632974 -0.8876973 -0.8876973 -0.3875616 -0.3875616 -0.2249099 -0.2249099 0.0404318 0.0404318 0.5472839 0.5472839 0.6304248 0.6304248 0.7217438 0.7217438 0.9552048 0.9552048 1.0155098 1.0155098 1.0330534 1.0330534 1.0877608 1.0877608 1.1180255 1.1180255 1.1293350 1.1293350 1.1504641 1.1504641 1.2782672 1.2782672 1.3167777 1.3167777 1.4512219 1.4512219 1.5416130 1.5416130 1.7700990 1.7700990 1.8895029 1.8895029 1.9498601 1.9498601 2.2347557 2.2347557 2.3874183 2.3874183 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.410 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= 0.90000 0.60000 -0.40000 200 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1648114 -2.1648114 -0.8839984 -0.8839984 -0.3807389 -0.3807389 -0.2181797 -0.2181797 0.0418950 0.0418950 0.5499036 0.5499036 0.6207418 0.6207418 0.7270819 0.7270819 0.9303332 0.9303332 1.0269674 1.0269674 1.0317989 1.0317989 1.0904556 1.0904556 1.1194078 1.1194078 1.1303917 1.1303917 1.1511401 1.1511401 1.2726940 1.2726940 1.3295939 1.3295939 1.4226035 1.4226035 1.4914658 1.4914658 1.7292549 1.7292549 1.8374201 1.8374201 2.0021322 2.0021322 2.2670576 2.2670576 2.4272921 2.4272921 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.430 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= 0.95000 0.65000 -0.45000 201 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1668033 -2.1668033 -0.8790769 -0.8790769 -0.3709975 -0.3709975 -0.2091382 -0.2091382 0.0414504 0.0414504 0.5532136 0.5532136 0.6159960 0.6159960 0.7279479 0.7279479 0.9094312 0.9094312 1.0293412 1.0293412 1.0355348 1.0355348 1.0937653 1.0937653 1.1206701 1.1206701 1.1311052 1.1311052 1.1534603 1.1534603 1.2639657 1.2639657 1.3357311 1.3357311 1.3918760 1.3918760 1.4482038 1.4482038 1.6659471 1.6659471 1.7801722 1.7801722 2.0699055 2.0699055 2.2860635 2.2860635 2.4297147 2.4297147 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.460 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 0.70000 -0.50000 202 MATRIX SIZE= 100 WEIGHT=24.00 EIGENVALUES ARE: -2.1690696 -2.1690696 -0.8734330 -0.8734330 -0.3590671 -0.3590671 -0.1985738 -0.1985738 0.0388147 0.0388147 0.5548725 0.5548725 0.6195084 0.6195084 0.7228374 0.7228374 0.8948268 0.8948268 1.0289278 1.0289278 1.0398188 1.0398188 1.0978616 1.0978616 1.1211737 1.1211737 1.1308260 1.1308260 1.1578803 1.1578803 1.2534250 1.2534250 1.3263530 1.3263530 1.3655138 1.3655138 1.4151527 1.4151527 1.5929178 1.5929178 1.7272339 1.7272339 2.1486263 2.1486263 2.2514599 2.2514599 2.4376914 2.4376914 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.480 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= 0.60000 0.20000 0.00000 203 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1670582 -2.1670582 -0.8769821 -0.8769821 -0.3534290 -0.3534290 -0.2158721 -0.2158721 -0.0135038 -0.0135038 0.6079011 0.6079011 0.6776327 0.6776327 0.7358118 0.7358118 0.8423902 0.8423902 1.0403420 1.0403420 1.0449728 1.0449728 1.0921960 1.0921960 1.1058011 1.1058011 1.1264333 1.1264333 1.1759541 1.1759541 1.2361809 1.2361809 1.3614621 1.3614621 1.4346303 1.4346303 1.4653114 1.4653114 1.5344999 1.5344999 1.7490808 1.7490808 2.1306677 2.1306677 2.2761565 2.2761565 2.3715907 2.3715907 2.4448855 2.4448855 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.500 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= 0.65000 0.25000 -0.05000 204 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1650583 -2.1650583 -0.8816966 -0.8816966 -0.3626808 -0.3626808 -0.2267799 -0.2267799 -0.0136679 -0.0136679 0.6108386 0.6108386 0.6744182 0.6744182 0.7411426 0.7411426 0.8558585 0.8558585 1.0375464 1.0375464 1.0432024 1.0432024 1.0900763 1.0900763 1.1071993 1.1071993 1.1281964 1.1281964 1.1680655 1.1680655 1.2403488 1.2403488 1.3816853 1.3816853 1.4516241 1.4516241 1.4943665 1.4943665 1.5986335 1.5986335 1.7943382 1.7943382 2.0484810 2.0484810 2.2637497 2.2637497 2.3866479 2.3866479 2.4589131 2.4589131 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.520 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 205 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1633305 -2.1633305 -0.8858235 -0.8858235 -0.3709391 -0.3709391 -0.2372257 -0.2372257 -0.0096076 -0.0096076 0.6019115 0.6019115 0.6786991 0.6786991 0.7436967 0.7436967 0.8773629 0.8773629 1.0318063 1.0318063 1.0422088 1.0422088 1.0883246 1.0883246 1.1087446 1.1087446 1.1283736 1.1283736 1.1608317 1.1608317 1.2442027 1.2442027 1.3811071 1.3811071 1.4795806 1.4795806 1.5220166 1.5220166 1.6608391 1.6608391 1.8463041 1.8463041 1.9759128 1.9759128 2.2335645 2.2335645 2.3804980 2.3804980 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.540 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= 0.75000 0.35000 -0.15000 206 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1620511 -2.1620511 -0.8888817 -0.8888817 -0.3776219 -0.3776219 -0.2454327 -0.2454327 -0.0025691 -0.0025691 0.5882707 0.5882707 0.6817454 0.6817454 0.7462411 0.7462411 0.9054228 0.9054228 1.0225155 1.0225155 1.0411730 1.0411730 1.0864047 1.0864047 1.1105200 1.1105200 1.1271310 1.1271310 1.1555310 1.1555310 1.2488709 1.2488709 1.3620816 1.3620816 1.5088970 1.5088970 1.5500096 1.5500096 1.7120453 1.7120453 1.8850303 1.8850303 1.9324303 1.9324303 2.2175652 2.2175652 2.3712670 2.3712670 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.560 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 -0.20000 207 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1613534 -2.1613534 -0.8906132 -0.8906132 -0.3823740 -0.3823740 -0.2499100 -0.2499100 0.0061275 0.0061275 0.5751213 0.5751213 0.6776875 0.6776875 0.7507286 0.7507286 0.9371469 0.9371469 1.0084430 1.0084430 1.0396426 1.0396426 1.0845846 1.0845846 1.1125957 1.1125957 1.1252822 1.1252822 1.1521871 1.1521871 1.2559250 1.2559250 1.3388957 1.3388957 1.5172419 1.5172419 1.5749794 1.5749794 1.7450607 1.7450607 1.8696981 1.8696981 1.9607006 1.9607006 2.2271730 2.2271730 2.3469986 2.3469986 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.590 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= 0.85000 0.45000 -0.25000 208 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1613111 -2.1613111 -0.8908042 -0.8908042 -0.3849145 -0.3849145 -0.2498001 -0.2498001 0.0153479 0.0153479 0.5646994 0.5646994 0.6668802 0.6668802 0.7556938 0.7556938 0.9679797 0.9679797 0.9895487 0.9895487 1.0375842 1.0375842 1.0836464 1.0836464 1.1148743 1.1148743 1.1238780 1.1238780 1.1502077 1.1502077 1.2674154 1.2674154 1.3188573 1.3188573 1.5060675 1.5060675 1.5731770 1.5731770 1.7643859 1.7643859 1.8705311 1.8705311 1.9872972 1.9872972 2.2345565 2.2345565 2.3364580 2.3364580 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.610 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= 0.90000 0.50000 -0.30000 209 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1619289 -2.1619289 -0.8895998 -0.8895998 -0.3850361 -0.3850361 -0.2449691 -0.2449691 0.0241334 0.0241334 0.5578682 0.5578682 0.6521924 0.6521924 0.7579216 0.7579216 0.9653696 0.9653696 0.9959850 0.9959850 1.0352581 1.0352581 1.0840713 1.0840713 1.1171355 1.1171355 1.1238306 1.1238306 1.1491459 1.1491459 1.2832610 1.2832610 1.3048237 1.3048237 1.4818941 1.4818941 1.5430717 1.5430717 1.7746601 1.7746601 1.8921478 1.8921478 1.9787563 1.9787563 2.2270886 2.2270886 2.3743992 2.3743992 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.640 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.020 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.95000 0.55000 -0.35000 210 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1631421 -2.1631421 -0.8871059 -0.8871059 -0.3826360 -0.3826360 -0.2358922 -0.2358922 0.0317414 0.0317414 0.5546182 0.5546182 0.6365305 0.6365305 0.7547538 0.7547538 0.9428619 0.9428619 1.0151722 1.0151722 1.0330645 1.0330645 1.0859077 1.0859077 1.1190793 1.1190793 1.1255655 1.1255655 1.1489891 1.1489891 1.2859535 1.2859535 1.3106885 1.3106885 1.4509473 1.4509473 1.5048085 1.5048085 1.7629708 1.7629708 1.9012854 1.9012854 1.9569452 1.9569452 2.2483018 2.2483018 2.4180414 2.4180414 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.660 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 0.60000 -0.40000 211 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1648244 -2.1648244 -0.8834609 -0.8834609 -0.3778185 -0.3778185 -0.2235035 -0.2235035 0.0376196 0.0376196 0.5538680 0.5538680 0.6230895 0.6230895 0.7447829 0.7447829 0.9234654 0.9234654 1.0270971 1.0270971 1.0317514 1.0317514 1.0891340 1.0891340 1.1203886 1.1203886 1.1284346 1.1284346 1.1502253 1.1502253 1.2756632 1.2756632 1.3276658 1.3276658 1.4195387 1.4195387 1.4717685 1.4717685 1.7255838 1.7255838 1.8402838 1.8402838 2.0042719 2.0042719 2.2770789 2.2770789 2.4519815 2.4519815 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.680 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= 0.70000 0.20000 0.00000 212 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1639691 -2.1639691 -0.8833777 -0.8833777 -0.3561303 -0.3561303 -0.2357845 -0.2357845 -0.0476896 -0.0476896 0.6409556 0.6409556 0.7106407 0.7106407 0.7569716 0.7569716 0.8272512 0.8272512 1.0392154 1.0392154 1.0453063 1.0453063 1.0903894 1.0903894 1.1019165 1.1019165 1.1276875 1.1276875 1.1777959 1.1777959 1.2366550 1.2366550 1.3982301 1.3982301 1.4735470 1.4735470 1.5308461 1.5308461 1.5664792 1.5664792 1.7914282 1.7914282 2.0314003 2.0314003 2.2536841 2.2536841 2.3487855 2.3487855 2.4535250 2.4535250 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.700 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= 0.75000 0.25000 -0.05000 213 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1624241 -2.1624241 -0.8867933 -0.8867933 -0.3611205 -0.3611205 -0.2492664 -0.2492664 -0.0447531 -0.0447531 0.6331629 0.6331629 0.7120098 0.7120098 0.7706040 0.7706040 0.8438936 0.8438936 1.0342329 1.0342329 1.0446337 1.0446337 1.0894827 1.0894827 1.1037012 1.1037012 1.1279562 1.1279562 1.1693398 1.1693398 1.2392642 1.2392642 1.4096688 1.4096688 1.4770046 1.4770046 1.5581510 1.5581510 1.6189491 1.6189491 1.8390876 1.8390876 1.9646087 1.9646087 2.2316975 2.2316975 2.3425368 2.3425368 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.720 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= 0.80000 0.30000 -0.10000 214 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1612385 -2.1612385 -0.8894522 -0.8894522 -0.3658948 -0.3658948 -0.2612034 -0.2612034 -0.0357447 -0.0357447 0.6180274 0.6180274 0.7110761 0.7110761 0.7824538 0.7824538 0.8682213 0.8682213 1.0263866 1.0263866 1.0438465 1.0438465 1.0882790 1.0882790 1.1056210 1.1056210 1.1268670 1.1268670 1.1615117 1.1615117 1.2417129 1.2417129 1.3949864 1.3949864 1.4998375 1.4998375 1.5741782 1.5741782 1.6693538 1.6693538 1.8665652 1.8665652 1.9379768 1.9379768 2.2206309 2.2206309 2.3445691 2.3445691 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.740 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= 0.85000 0.35000 -0.15000 215 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1605345 -2.1605345 -0.8911177 -0.8911177 -0.3706851 -0.3706851 -0.2684763 -0.2684763 -0.0230983 -0.0230983 0.6010857 0.6010857 0.7045473 0.7045473 0.7905125 0.7905125 0.8991001 0.8991001 1.0147601 1.0147601 1.0424572 1.0424572 1.0864637 1.0864637 1.1079152 1.1079152 1.1247871 1.1247871 1.1555796 1.1555796 1.2457223 1.2457223 1.3677196 1.3677196 1.5254246 1.5254246 1.5779086 1.5779086 1.7080497 1.7080497 1.8475404 1.8475404 1.9802867 1.9802867 2.2253343 2.2253343 2.3424108 2.3424108 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.760 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= 0.90000 0.40000 -0.20000 216 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1603862 -2.1603862 -0.8916404 -0.8916404 -0.3754903 -0.3754903 -0.2691900 -0.2691900 -0.0087623 -0.0087623 0.5851696 0.5851696 0.6922109 0.6922109 0.7931330 0.7931330 0.9333528 0.9333528 0.9988665 0.9988665 1.0403520 1.0403520 1.0845814 1.0845814 1.1106990 1.1106990 1.1226156 1.1226156 1.1516750 1.1516750 1.2534138 1.2534138 1.3415991 1.3415991 1.5288423 1.5288423 1.5715127 1.5715127 1.7338466 1.7338466 1.8452006 1.8452006 2.0287457 2.0287457 2.2213249 2.2213249 2.3439341 2.3439341 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.780 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= 0.95000 0.45000 -0.25000 217 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1608096 -2.1608096 -0.8910548 -0.8910548 -0.3796577 -0.3796577 -0.2631758 -0.2631758 0.0058161 0.0058161 0.5717433 0.5717433 0.6753669 0.6753669 0.7886569 0.7886569 0.9658872 0.9658872 0.9805578 0.9805578 1.0378022 1.0378022 1.0834228 1.0834228 1.1139573 1.1139573 1.1213984 1.1213984 1.1494027 1.1494027 1.2667048 1.2667048 1.3203505 1.3203505 1.5094065 1.5094065 1.5526863 1.5526863 1.7572641 1.7572641 1.8620448 1.8620448 2.0471288 2.0471288 2.2014901 2.2014901 2.3692777 2.3692777 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.800 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= 1.00000 0.50000 -0.30000 218 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1617610 -2.1617610 -0.8894858 -0.8894858 -0.3822487 -0.3822487 -0.2515214 -0.2515214 0.0195697 0.0195697 0.5615424 0.5615424 0.6559566 0.6559566 0.7758305 0.7758305 0.9596205 0.9596205 0.9953612 0.9953612 1.0352466 1.0352466 1.0836526 1.0836526 1.1172507 1.1172507 1.1220737 1.1220737 1.1484898 1.1484898 1.2851902 1.2851902 1.3039863 1.3039863 1.4809795 1.4809795 1.5267816 1.5267816 1.7713838 1.7713838 1.8903282 1.8903282 2.0017306 2.0017306 2.2184864 2.2184864 2.3952007 2.3952007 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.820 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= 0.80000 0.20000 0.00000 219 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1615091 -2.1615091 -0.8881088 -0.8881088 -0.3525293 -0.3525293 -0.2559704 -0.2559704 -0.0783081 -0.0783081 0.6597679 0.6597679 0.7372096 0.7372096 0.7962968 0.7962968 0.8180649 0.8180649 1.0364559 1.0364559 1.0455155 1.0455155 1.0920621 1.0920621 1.1004846 1.1004846 1.1283735 1.1283735 1.1790256 1.1790256 1.2369251 1.2369251 1.4291748 1.4291748 1.4925230 1.4925230 1.5761730 1.5761730 1.5976092 1.5976092 1.8246913 1.8246913 1.9439205 1.9439205 2.2309808 2.2309808 2.3184935 2.3184935 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.840 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= 0.85000 0.25000 -0.05000 220 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1605063 -2.1605063 -0.8902356 -0.8902356 -0.3539277 -0.3539277 -0.2715187 -0.2715187 -0.0686638 -0.0686638 0.6462215 0.6462215 0.7332946 0.7332946 0.8143984 0.8143984 0.8364399 0.8364399 1.0303638 1.0303638 1.0455810 1.0455810 1.0917752 1.0917752 1.1018501 1.1018501 1.1275553 1.1275553 1.1701440 1.1701440 1.2385953 1.2385953 1.4303937 1.4303937 1.4845210 1.4845210 1.6073963 1.6073963 1.6280325 1.6280325 1.8466261 1.8466261 1.9271116 1.9271116 2.2247848 2.2247848 2.3310455 2.3310455 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.860 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 0.30000 -0.10000 221 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1598946 -2.1598946 -0.8916268 -0.8916268 -0.3570551 -0.3570551 -0.2825378 -0.2825378 -0.0528423 -0.0528423 0.6277863 0.6277863 0.7262281 0.7262281 0.8238101 0.8238101 0.8626699 0.8626699 1.0215384 1.0215384 1.0448685 1.0448685 1.0902509 1.0902509 1.1037195 1.1037195 1.1257165 1.1257165 1.1618799 1.1618799 1.2403210 1.2403210 1.4031833 1.4031833 1.5025201 1.5025201 1.6094550 1.6094550 1.6684916 1.6684916 1.8297978 1.8297978 1.9737564 1.9737564 2.2235210 2.2235210 2.3463704 2.3463704 2.4778069 2.4778069 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.890 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= 0.95000 0.35000 -0.15000 222 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1597379 -2.1597379 -0.8922049 -0.8922049 -0.3634381 -0.3634381 -0.2845331 -0.2845331 -0.0338877 -0.0338877 0.6079051 0.6079051 0.7140847 0.7140847 0.8225883 0.8225883 0.8958931 0.8958931 1.0095243 1.0095243 1.0430803 1.0430803 1.0876728 1.0876728 1.1063831 1.1063831 1.1234543 1.1234543 1.1555397 1.1555397 1.2442386 1.2442386 1.3711985 1.3711985 1.5203007 1.5203007 1.5961126 1.5961126 1.7005582 1.7005582 1.8244300 1.8244300 2.0343062 2.0343062 2.2100948 2.2100948 2.3603843 2.3603843 2.4639652 2.4639652 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.910 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 0.40000 -0.20000 223 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1600535 -2.1600535 -0.8919911 -0.8919911 -0.3718876 -0.3718876 -0.2772301 -0.2772301 -0.0138640 -0.0138640 0.5887396 0.5887396 0.6967224 0.6967224 0.8107872 0.8107872 0.9320597 0.9320597 0.9949796 0.9949796 1.0405299 1.0405299 1.0850211 1.0850211 1.1098645 1.1098645 1.1217205 1.1217205 1.1514444 1.1514444 1.2525670 1.2525670 1.3432924 1.3432924 1.5232872 1.5232872 1.5736833 1.5736833 1.7289474 1.7289474 1.8385453 1.8385453 2.0758163 2.0758163 2.1858527 2.1858527 2.3694608 2.3694608 2.4863428 2.4863428 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.930 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= 0.90000 0.20000 0.00000 224 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1599258 -2.1599258 -0.8910100 -0.8910100 -0.3450378 -0.3450378 -0.2738311 -0.2738311 -0.0986747 -0.0986747 0.6695528 0.6695528 0.7478014 0.7478014 0.8096780 0.8096780 0.8421893 0.8421893 1.0340259 1.0340259 1.0470083 1.0470083 1.0950407 1.0950407 1.0997645 1.0997645 1.1286323 1.1286323 1.1797603 1.1797603 1.2371762 1.2371762 1.4517435 1.4517435 1.4952315 1.4952315 1.5849093 1.5849093 1.6345813 1.6345813 1.8317278 1.8317278 1.8971037 1.8971037 2.2379269 2.2379269 2.3385029 2.3385029 2.4827124 2.4827124 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.960 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= 0.95000 0.25000 -0.05000 225 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1594967 -2.1594967 -0.8919639 -0.8919639 -0.3452508 -0.3452508 -0.2882280 -0.2882280 -0.0813067 -0.0813067 0.6526936 0.6526936 0.7413381 0.7413381 0.8312239 0.8312239 0.8478297 0.8478297 1.0279266 1.0279266 1.0469822 1.0469822 1.0942784 1.0942784 1.1006337 1.1006337 1.1272040 1.1272040 1.1705434 1.1705434 1.2383296 1.2383296 1.4433393 1.4433393 1.4808180 1.4808180 1.6237339 1.6237339 1.6400269 1.6400269 1.8207334 1.8207334 1.9373139 1.9373139 2.2358600 2.2358600 2.3629683 2.3629683 2.4444088 2.4444088 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 4.980 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 0.30000 -0.10000 226 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1594314 -2.1594314 -0.8923412 -0.8923412 -0.3515988 -0.3515988 -0.2923951 -0.2923951 -0.0587040 -0.0587040 0.6311602 0.6311602 0.7306204 0.7306204 0.8409504 0.8409504 0.8609150 0.8609150 1.0196405 1.0196405 1.0455258 1.0455258 1.0913819 1.0913819 1.1029527 1.1029527 1.1252422 1.1252422 1.1619962 1.1619962 1.2398852 1.2398852 1.4062635 1.4062635 1.4999609 1.4999609 1.6220613 1.6220613 1.6661630 1.6661630 1.8146220 1.8146220 1.9937711 1.9937711 2.2230323 2.2230323 2.3729900 2.3729900 2.4353086 2.4353086 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.000 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 0.20000 0.00000 227 MATRIX SIZE= 94 WEIGHT=12.00 EIGENVALUES ARE: -2.1593796 -2.1593796 -0.8919845 -0.8919845 -0.3404044 -0.3404044 -0.2820455 -0.2820455 -0.1057164 -0.1057164 0.6727098 0.6727098 0.7506690 0.7506690 0.8085021 0.8085021 0.8590942 0.8590942 1.0331066 1.0331066 1.0482664 1.0482664 1.0969999 1.0969999 1.0989515 1.0989515 1.1286740 1.1286740 1.1800080 1.1800080 1.2372993 1.2372993 1.4613527 1.4613527 1.4921832 1.4921832 1.5866211 1.5866211 1.6478655 1.6478655 1.8220747 1.8220747 1.8917207 1.8917207 2.2514442 2.2514442 2.3778896 2.3778896 2.4302474 2.4302474 2.4753333 2.4753333 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.020 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= 0.60000 0.30000 0.00000 228 MATRIX SIZE= 98 WEIGHT=24.00 EIGENVALUES ARE: -2.1660624 -2.1660624 -0.8800257 -0.8800257 -0.3664872 -0.3664872 -0.2186506 -0.2186506 0.0151498 0.0151498 0.5814600 0.5814600 0.6422749 0.6422749 0.7374328 0.7374328 0.8815066 0.8815066 1.0353824 1.0353824 1.0389810 1.0389810 1.0908593 1.0908593 1.1141938 1.1141938 1.1290208 1.1290208 1.1599408 1.1599408 1.2503556 1.2503556 1.3561368 1.3561368 1.4252618 1.4252618 1.4606028 1.4606028 1.6314496 1.6314496 1.7893731 1.7893731 2.0631643 2.0631643 2.2785050 2.2785050 2.4191866 2.4191866 2.4804925 2.4804925 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.040 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= 0.65000 0.35000 -0.05000 229 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1641669 -2.1641669 -0.8844261 -0.8844261 -0.3741357 -0.3741357 -0.2308751 -0.2308751 0.0151144 0.0151144 0.5763714 0.5763714 0.6499922 0.6499922 0.7453569 0.7453569 0.8992432 0.8992432 1.0294699 1.0294699 1.0384675 1.0384675 1.0879992 1.0879992 1.1147458 1.1147458 1.1283351 1.1283351 1.1546489 1.1546489 1.2581554 1.2581554 1.3513676 1.3513676 1.4529327 1.4529327 1.4904677 1.4904677 1.6930228 1.6930228 1.8446479 1.8446479 1.9947974 1.9947974 2.2564661 2.2564661 2.4134248 2.4134248 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.060 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 0.40000 -0.10000 230 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1626522 -2.1626522 -0.8878922 -0.8878922 -0.3799240 -0.3799240 -0.2409959 -0.2409959 0.0157092 0.0157092 0.5685231 0.5685231 0.6620676 0.6620676 0.7481441 0.7481441 0.9229639 0.9229639 1.0183681 1.0183681 1.0390235 1.0390235 1.0859292 1.0859292 1.1152945 1.1152945 1.1262192 1.1262192 1.1513901 1.1513901 1.2655871 1.2655871 1.3333137 1.3333137 1.4848423 1.4848423 1.5258762 1.5258762 1.7377592 1.7377592 1.8922934 1.8922934 1.9476430 1.9476430 2.2284069 2.2284069 2.3895141 2.3895141 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.080 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= 0.75000 0.45000 -0.15000 231 MATRIX SIZE= 98 WEIGHT=48.00 EIGENVALUES ARE: -2.1616747 -2.1616747 -0.8901047 -0.8901047 -0.3834976 -0.3834976 -0.2476718 -0.2476718 0.0163395 0.0163395 0.5625591 0.5625591 0.6722403 0.6722403 0.7476902 0.7476902 0.9501859 0.9501859 1.0013925 1.0013925 1.0395990 1.0395990 1.0844741 1.0844741 1.1160963 1.1160963 1.1237722 1.1237722 1.1498928 1.1498928 1.2736146 1.2736146 1.3126965 1.3126965 1.5083428 1.5083428 1.5618100 1.5618100 1.7588946 1.7588946 1.8827333 1.8827333 1.9609108 1.9609108 2.2232962 2.2232962 2.3581120 2.3581120 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.100 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= 0.80000 0.50000 -0.20000 232 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1613370 -2.1613370 -0.8908164 -0.8908164 -0.3846942 -0.3846942 -0.2499976 -0.2499976 0.0165989 0.0165989 0.5604050 0.5604050 0.6762609 0.6762609 0.7469785 0.7469785 0.9736283 0.9736283 0.9819358 0.9819358 1.0398343 1.0398343 1.0839162 1.0839162 1.1166475 1.1166475 1.1225751 1.1225751 1.1494848 1.1494848 1.2793890 1.2793890 1.3016321 1.3016321 1.5166338 1.5166338 1.5790200 1.5790200 1.7615268 1.7615268 1.8726568 1.8726568 1.9723494 1.9723494 2.2350935 2.2350935 2.3333980 2.3333980 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.130 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= 0.70000 0.30000 0.00000 233 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1633450 -2.1633450 -0.8853831 -0.8853831 -0.3671849 -0.3671849 -0.2417040 -0.2417040 -0.0148776 -0.0148776 0.6053601 0.6053601 0.6828416 0.6828416 0.7583000 0.7583000 0.8693323 0.8693323 1.0318650 1.0318650 1.0429536 1.0429536 1.0878801 1.0878801 1.1085448 1.1085448 1.1279371 1.1279371 1.1613578 1.1613578 1.2474654 1.2474654 1.3790547 1.3790547 1.4627288 1.4627288 1.5233470 1.5233470 1.6545646 1.6545646 1.8441593 1.8441593 1.9841449 1.9841449 2.2430718 2.2430718 2.3756510 2.3756510 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.150 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= 0.75000 0.35000 -0.05000 234 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1619247 -2.1619247 -0.8884176 -0.8884176 -0.3706370 -0.3706370 -0.2557118 -0.2557118 -0.0122612 -0.0122612 0.5938151 0.5938151 0.6941135 0.6941135 0.7711251 0.7711251 0.8898871 0.8898871 1.0219688 1.0219688 1.0431230 1.0431230 1.0867228 1.0867228 1.1097947 1.1097947 1.1262569 1.1262569 1.1554744 1.1554744 1.2538188 1.2538188 1.3610761 1.3610761 1.4857862 1.4857862 1.5510573 1.5510573 1.7003536 1.7003536 1.8796973 1.8796973 1.9508281 1.9508281 2.2205566 2.2205566 2.3636960 2.3636960 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.170 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= 0.80000 0.40000 -0.10000 235 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1609429 -2.1609429 -0.8904977 -0.8904977 -0.3731440 -0.3731440 -0.2661368 -0.2661368 -0.0075429 -0.0075429 0.5823533 0.5823533 0.7015443 0.7015443 0.7794900 0.7794900 0.9162457 0.9162457 1.0069438 1.0069438 1.0432164 1.0432164 1.0858762 1.0858762 1.1114190 1.1114190 1.1233815 1.1233815 1.1514869 1.1514869 1.2606664 1.2606664 1.3357476 1.3357476 1.5149926 1.5149926 1.5715068 1.5715068 1.7277926 1.7277926 1.8643543 1.8643543 1.9794311 1.9794311 2.2134397 2.2134397 2.3546578 2.3546578 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.190 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= 0.85000 0.45000 -0.15000 236 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1605016 -2.1605016 -0.8914574 -0.8914574 -0.3750932 -0.3750932 -0.2707960 -0.2707960 -0.0021637 -0.0021637 0.5736895 0.5736895 0.7021319 0.7021319 0.7836140 0.7836140 0.9457992 0.9457992 0.9866723 0.9866723 1.0428988 1.0428988 1.0850861 1.0850861 1.1138314 1.1138314 1.1202364 1.1202364 1.1493022 1.1493022 1.2702500 1.2702500 1.3125877 1.3125877 1.5325431 1.5325431 1.5797692 1.5797692 1.7368406 1.7368406 1.8552879 1.8552879 2.0084210 2.0084210 2.2229145 2.2229145 2.3409861 2.3409861 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.210 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= 0.90000 0.50000 -0.20000 237 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1606475 -2.1606475 -0.8912482 -0.8912482 -0.3766285 -0.3766285 -0.2686633 -0.2686633 0.0029316 0.0029316 0.5689838 0.5689838 0.6953628 0.6953628 0.7832825 0.7832825 0.9610079 0.9610079 0.9764344 0.9764344 1.0420441 1.0420441 1.0845535 1.0845535 1.1168124 1.1168124 1.1180103 1.1180103 1.1484607 1.1484607 1.2834278 1.2834278 1.2966369 1.2966369 1.5258723 1.5258723 1.5710957 1.5710957 1.7451791 1.7451791 1.8610812 1.8610812 2.0183343 2.0183343 2.2134661 2.2134661 2.3509284 2.3509284 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.230 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= 0.95000 0.55000 -0.25000 238 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1613653 -2.1613653 -0.8899252 -0.8899252 -0.3773494 -0.3773494 -0.2601791 -0.2601791 0.0073404 0.0073404 0.5685283 0.5685283 0.6825616 0.6825616 0.7773106 0.7773106 0.9372418 0.9372418 1.0002756 1.0002756 1.0408031 1.0408031 1.0845512 1.0845512 1.1160580 1.1160580 1.1212094 1.1212094 1.1488439 1.1488439 1.2793940 1.2793940 1.3085051 1.3085051 1.5020756 1.5020756 1.5472608 1.5472608 1.7501985 1.7501985 1.8789303 1.8789303 1.9932036 1.9932036 2.2100987 2.2100987 2.3731572 2.3731572 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.250 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 0.60000 -0.30000 239 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1625802 -2.1625802 -0.8875741 -0.8875741 -0.3766277 -0.3766277 -0.2468856 -0.2468856 0.0111960 0.0111960 0.5717210 0.5717210 0.6661775 0.6661775 0.7646353 0.7646353 0.9157077 0.9157077 1.0181508 1.0181508 1.0394939 1.0394939 1.0854945 1.0854945 1.1153647 1.1153647 1.1252021 1.1252021 1.1507910 1.1507910 1.2687680 1.2687680 1.3319146 1.3319146 1.4752717 1.4752717 1.5175343 1.5175343 1.7333183 1.7333183 1.8932349 1.8932349 1.9575269 1.9575269 2.2329213 2.2329213 2.3925428 2.3925428 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.270 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= 0.80000 0.30000 0.00000 240 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1611855 -2.1611855 -0.8892666 -0.8892666 -0.3612345 -0.3612345 -0.2664852 -0.2664852 -0.0413476 -0.0413476 0.6209576 0.6209576 0.7191909 0.7191909 0.7925304 0.7925304 0.8601749 0.8601749 1.0260641 1.0260641 1.0451022 1.0451022 1.0893323 1.0893323 1.1047941 1.1047941 1.1268980 1.1268980 1.1622974 1.1622974 1.2454306 1.2454306 1.3943444 1.3943444 1.4799422 1.4799422 1.5876526 1.5876526 1.6615069 1.6615069 1.8619220 1.8619220 1.9447476 1.9447476 2.2167022 2.2167022 2.3401303 2.3401303 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.300 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.010, DIAG= 0.000 CPTIME Hsoset= 0.010, Horb= 0.000 K= 0.85000 0.35000 -0.05000 241 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1602960 -2.1602960 -0.8910522 -0.8910522 -0.3610200 -0.3610200 -0.2814034 -0.2814034 -0.0331281 -0.0331281 0.6058833 0.6058833 0.7235720 0.7235720 0.8079926 0.8079926 0.8831337 0.8831337 1.0137117 1.0137117 1.0455126 1.0455126 1.0892841 1.0892841 1.1060555 1.1060555 1.1246958 1.1246958 1.1559741 1.1559741 1.2510656 1.2510656 1.3667685 1.3667685 1.4968402 1.4968402 1.6072158 1.6072158 1.6937370 1.6937370 1.8453824 1.8453824 1.9804961 1.9804961 2.2069089 2.2069089 2.3477900 2.3477900 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.310 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= 0.90000 0.40000 -0.10000 242 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1598475 -2.1598475 -0.8920083 -0.8920083 -0.3623761 -0.3623761 -0.2893735 -0.2893735 -0.0226796 -0.0226796 0.5915637 0.5915637 0.7224509 0.7224509 0.8147681 0.8147681 0.9118373 0.9118373 0.9969744 0.9969744 1.0453294 1.0453294 1.0884971 1.0884971 1.1081997 1.1081997 1.1217873 1.1217873 1.1514389 1.1514389 1.2578292 1.2578292 1.3384105 1.3384105 1.5153546 1.5153546 1.6116251 1.6116251 1.7102982 1.7102982 1.8375234 1.8375234 2.0236700 2.0236700 2.2036746 2.2036746 2.3544132 2.3544132 2.4687207 2.4687207 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.330 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= 0.95000 0.45000 -0.15000 243 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1598870 -2.1598870 -0.8920882 -0.8920882 -0.3667081 -0.3667081 -0.2874181 -0.2874181 -0.0118522 -0.0118522 0.5799488 0.5799488 0.7148018 0.7148018 0.8119195 0.8119195 0.9433936 0.9433936 0.9771617 0.9771617 1.0443098 1.0443098 1.0869573 1.0869573 1.1115149 1.1115149 1.1190939 1.1190939 1.1488464 1.1488464 1.2683785 1.2683785 1.3148281 1.3148281 1.5218234 1.5218234 1.6005332 1.6005332 1.7219261 1.7219261 1.8448875 1.8448875 2.0568307 2.0568307 2.1888293 2.1888293 2.3624046 2.3624046 2.4706663 2.4706663 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.350 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 0.50000 -0.20000 244 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1604109 -2.1604109 -0.8913081 -0.8913081 -0.3725148 -0.3725148 -0.2766319 -0.2766319 -0.0017270 -0.0017270 0.5721355 0.5721355 0.7010131 0.7010131 0.7992293 0.7992293 0.9552640 0.9552640 0.9752522 0.9752522 1.0426607 1.0426607 1.0852955 1.0852955 1.1156232 1.1156232 1.1175610 1.1175610 1.1480047 1.1480047 1.2843327 1.2843327 1.2967034 1.2967034 1.5146533 1.5146533 1.5765028 1.5765028 1.7396567 1.7396567 1.8579177 1.8579177 2.0498496 2.0498496 2.1849180 2.1849180 2.3681885 2.3681885 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.380 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= 0.90000 0.30000 0.00000 245 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1597978 -2.1597978 -0.8915851 -0.8915851 -0.3502240 -0.3502240 -0.2898769 -0.2898769 -0.0586508 -0.0586508 0.6305372 0.6305372 0.7361826 0.7361826 0.8309365 0.8309365 0.8548313 0.8548313 1.0210034 1.0210034 1.0467728 1.0467728 1.0927707 1.0927707 1.1020868 1.1020868 1.1260397 1.1260397 1.1628439 1.1628439 1.2443129 1.2443129 1.4033528 1.4033528 1.4837572 1.4837572 1.6333819 1.6333819 1.6590873 1.6590873 1.8298927 1.8298927 1.9609143 1.9609143 2.2164743 2.2164743 2.3504958 2.3504958 2.4685456 2.4685456 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.400 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= 0.95000 0.35000 -0.05000 246 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1594400 -2.1594400 -0.8923387 -0.8923387 -0.3489075 -0.3489075 -0.3022754 -0.3022754 -0.0440728 -0.0440728 0.6124329 0.6124329 0.7353296 0.7353296 0.8368598 0.8368598 0.8796806 0.8796806 1.0082875 1.0082875 1.0470951 1.0470951 1.0924110 1.0924110 1.1034351 1.1034351 1.1237765 1.1237765 1.1561977 1.1561977 1.2497651 1.2497651 1.3701782 1.3701782 1.4956774 1.4956774 1.6395554 1.6395554 1.6843004 1.6843004 1.8222393 1.8222393 2.0048228 2.0048228 2.2073467 2.2073467 2.3687455 2.3687455 2.4341782 2.4341782 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.420 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 0.40000 -0.10000 247 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1594705 -2.1594705 -0.8924840 -0.8924840 -0.3555743 -0.3555743 -0.3006190 -0.3006190 -0.0278468 -0.0278468 0.5948924 0.5948924 0.7284253 0.7284253 0.8303687 0.8303687 0.9103418 0.9103418 0.9929980 0.9929980 1.0461716 1.0461716 1.0900968 1.0900968 1.1067346 1.1067346 1.1212553 1.1212553 1.1513869 1.1513869 1.2569064 1.2569064 1.3400211 1.3400211 1.5103610 1.5103610 1.6271577 1.6271577 1.7018653 1.7018653 1.8300971 1.8300971 2.0462520 2.0462520 2.1910723 2.1910723 2.3736566 2.3736566 2.4343607 2.4343607 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.440 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 0.30000 0.00000 248 MATRIX SIZE= 96 WEIGHT=12.00 EIGENVALUES ARE: -2.1593194 -2.1593194 -0.8923519 -0.8923519 -0.3423078 -0.3423078 -0.3021507 -0.3021507 -0.0645797 -0.0645797 0.6338762 0.6338762 0.7408379 0.7408379 0.8466798 0.8466798 0.8537526 0.8537526 1.0190406 1.0190406 1.0477633 1.0477633 1.0949174 1.0949174 1.1005384 1.1005384 1.1256810 1.1256810 1.1630252 1.1630252 1.2439740 1.2439740 1.4067323 1.4067323 1.4823725 1.4823725 1.6497426 1.6497426 1.6566284 1.6566284 1.8155572 1.8155572 1.9693429 1.9693429 2.2242662 2.2242662 2.3778081 2.3778081 2.4208074 2.4208074 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.460 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= 0.80000 0.40000 0.00000 249 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1608027 -2.1608027 -0.8904541 -0.8904541 -0.3685826 -0.3685826 -0.2733640 -0.2733640 -0.0121964 -0.0121964 0.5850479 0.5850479 0.7086510 0.7086510 0.7927608 0.7927608 0.9087040 0.9087040 1.0063909 1.0063909 1.0442410 1.0442410 1.0868124 1.0868124 1.1106129 1.1106129 1.1230960 1.1230960 1.1511534 1.1511534 1.2639492 1.2639492 1.3345107 1.3345107 1.4977041 1.4977041 1.5814448 1.5814448 1.7220426 1.7220426 1.8624574 1.8624574 1.9929348 1.9929348 2.2003373 2.2003373 2.3583597 2.3583597 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.480 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= 0.85000 0.45000 -0.05000 250 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1600793 -2.1600793 -0.8917145 -0.8917145 -0.3657286 -0.3657286 -0.2866473 -0.2866473 -0.0113106 -0.0113106 0.5788999 0.5788999 0.7185959 0.7185959 0.8065325 0.8065325 0.9323767 0.9323767 0.9850395 0.9850395 1.0452025 1.0452025 1.0875137 1.0875137 1.1117166 1.1117166 1.1195428 1.1195428 1.1486147 1.1486147 1.2749243 1.2749243 1.3093516 1.3093516 1.5130169 1.5130169 1.6041852 1.6041852 1.7233274 1.7233274 1.8496292 1.8496292 2.0326156 2.0326156 2.1906996 2.1906996 2.3589401 2.3589401 2.4848435 2.4848435 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.510 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= 0.90000 0.50000 -0.10000 251 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1598295 -2.1598295 -0.8921112 -0.8921112 -0.3642817 -0.3642817 -0.2917434 -0.2917434 -0.0108702 -0.0108702 0.5767259 0.5767259 0.7221182 0.7221182 0.8112238 0.8112238 0.9553480 0.9553480 0.9628950 0.9628950 1.0455906 1.0455906 1.0878606 1.0878606 1.1127063 1.1127063 1.1175249 1.1175249 1.1478105 1.1478105 1.2864802 1.2864802 1.2923018 1.2923018 1.5206218 1.5206218 1.6124465 1.6124465 1.7196831 1.7196831 1.8476068 1.8476068 2.0441185 2.0441185 2.1939358 2.1939358 2.3569428 2.3569428 2.4654479 2.4654479 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.530 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= 0.90000 0.40000 0.00000 252 MATRIX SIZE= 96 WEIGHT=24.00 EIGENVALUES ARE: -2.1596631 -2.1596631 -0.8921139 -0.8921139 -0.3544813 -0.3544813 -0.2999391 -0.2999391 -0.0273999 -0.0273999 0.5940276 0.5940276 0.7322179 0.7322179 0.8247280 0.8247280 0.9041100 0.9041100 0.9962508 0.9962508 1.0469351 1.0469351 1.0908472 1.0908472 1.1065340 1.1065340 1.1218931 1.1218931 1.1512980 1.1512980 1.2611625 1.2611625 1.3371782 1.3371782 1.5002218 1.5002218 1.6327163 1.6327163 1.7028781 1.7028781 1.8355445 1.8355445 2.0222340 2.0222340 2.1911362 2.1911362 2.3627213 2.3627213 2.4531849 2.4531849 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.550 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= 0.95000 0.45000 -0.05000 253 MATRIX SIZE= 96 WEIGHT=48.00 EIGENVALUES ARE: -2.1594050 -2.1594050 -0.8925480 -0.8925480 -0.3508565 -0.3508565 -0.3097876 -0.3097876 -0.0210457 -0.0210457 0.5848497 0.5848497 0.7347679 0.7347679 0.8304312 0.8304312 0.9297249 0.9297249 0.9753001 0.9753001 1.0474661 1.0474661 1.0913213 1.0913213 1.1080212 1.1080212 1.1191568 1.1191568 1.1483833 1.1483833 1.2726738 1.2726738 1.3118707 1.3118707 1.5064730 1.5064730 1.6414798 1.6414798 1.7044301 1.7044301 1.8387009 1.8387009 2.0496502 2.0496502 2.1815514 2.1815514 2.3727407 2.3727407 2.4279455 2.4279455 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.580 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= 1.00000 0.50000 -0.10000 254 MATRIX SIZE= 94 WEIGHT=24.00 EIGENVALUES ARE: -2.1595485 -2.1595485 -0.8922899 -0.8922899 -0.3564970 -0.3564970 -0.3034067 -0.3034067 -0.0155604 -0.0155604 0.5796327 0.5796327 0.7301690 0.7301690 0.8241993 0.8241993 0.9509802 0.9509802 0.9599743 0.9599743 1.0467951 1.0467951 1.0898952 1.0898952 1.1104659 1.1104659 1.1178024 1.1178024 1.1475065 1.1475065 1.2874356 1.2874356 1.2922446 1.2922446 1.5107966 1.5107966 1.6308364 1.6308364 1.7107618 1.7107618 1.8440888 1.8440888 2.0591038 2.0591038 2.1755966 2.1755966 2.3707124 2.3707124 2.4407956 2.4407956 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.600 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= 1.00000 0.40000 0.00000 255 MATRIX SIZE= 96 WEIGHT=12.00 EIGENVALUES ARE: -2.1592708 -2.1592708 -0.8926431 -0.8926431 -0.3423762 -0.3423762 -0.3164860 -0.3164860 -0.0325843 -0.0325843 0.5972961 0.5972961 0.7389368 0.7389368 0.8392220 0.8392220 0.9025437 0.9025437 0.9922298 0.9922298 1.0480663 1.0480663 1.0933422 1.0933422 1.1044005 1.1044005 1.1214867 1.1214867 1.1513191 1.1513191 1.2602585 1.2602585 1.3387716 1.3387716 1.4972276 1.4972276 1.6521289 1.6521289 1.6942807 1.6942807 1.8280484 1.8280484 2.0297772 2.0297772 2.1926169 2.1926169 2.3798495 2.3798495 2.4133788 2.4133788 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 5.620 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 0.50000 0.00000 256 MATRIX SIZE= 94 WEIGHT= 6.00 EIGENVALUES ARE: -2.1592522 -2.1592522 -0.8925811 -0.8925811 -0.3415954 -0.3415954 -0.3222087 -0.3222087 -0.0202541 -0.0202541 0.5824705 0.5824705 0.7391838 0.7391838 0.8358404 0.8358404 0.9481747 0.9481747 0.9553686 0.9553686 1.0482729 1.0482729 1.0927548 1.0927548 1.1077671 1.1077671 1.1180851 1.1180851 1.1472620 1.1472620 1.2900965 1.2900965 1.2904589 1.2904589 1.5032574 1.5032574 1.6532112 1.6532112 1.7013187 1.7013187 1.8405162 1.8405162 2.0559422 2.0559422 2.1755329 2.1755329 2.3807730 2.3807730 2.4105866 2.4105866 0 EIGENVALUES BELOW THE ENERGY ******************************************************** TOTAL NUMBER OF K-POINTS: 256 TOTAL TIME: 5.63000000000000 read: 7.999999999999829E-002 alm: 1.50999999999999 hmsec: 3.72999999999999 write: 0.209999999999996