*********** spin-orbit calculation ************** non-spin polarized case LMAX= 4 S-O eigenvectors and eigenvalues Emin= -10.0000 Emax= 1.5000 0.0 0.0 angle (M,z), angle (M,x) deg 90 0 ATOMIC PARAMETERS FOR 1 SPIN=1 ENERGY PARAMETERS ARE 0.30 -0.38 0.67 0.76 0.30 0.30 0.30 for lo: 0.30 -0.38 0.67 0.76 -2.43 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 0.5520499007E+00 0.4008520216E+00 0.1302222123E-01 -0.2803693133E+00 0.5061954559E-01 1 0.2027158013E+00 -0.2908130194E+00 -0.2742105488E+00 -0.3959541569E+00 0.1269751086E+00 2 -0.4730503325E+00 0.4588273359E-03 0.1248198650E+00 0.3381361105E+00 0.2447858294E-01 3 -0.2746086871E+00 0.9016421068E-03 0.4580016385E+00 0.5812824297E+00 0.4490724460E+00 4 0.7721721519E+00 0.1050156734E+01 -0.4999375299E-01 -0.2751973759E+00 0.3412741957E-02 LO COEFFICIENT: l,A,B,C 0 0.10427 -4.42045 0.00000 LO COEFFICIENT: l,A,B,C 0 0.20599 0.00000 0.90967 LO COEFFICIENT: l,A,B,C 1 0.96701 0.71488 0.00000 LO COEFFICIENT: l,A,B,C 1 0.01437 0.00000 -1.01387 LO COEFFICIENT: l,A,B,C 2 0.86016 3.25988 0.00000 LO COEFFICIENT: l,A,B,C 3 0.92790 0.55635 0.00000 Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.00000 0.00000 0.00000 1 MATRIX SIZE= 36 WEIGHT= 1.00 EIGENVALUES ARE: -2.4108309 -2.4108309 -0.7410119 -0.7410119 -0.1043564 -0.1043564 -0.1043564 -0.1043564 0.5791044 0.5791044 0.9168891 0.9168891 0.9795699 0.9795699 0.9795699 0.9795699 1.0348449 1.0348449 1.0985731 1.0985731 1.1216778 1.1216778 1.1216778 1.1216778 1.1223628 1.1223628 1.1223628 1.1223628 1.1575243 1.1575243 1.4489051 1.4489051 1.4489051 1.4489051 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.08333 0.08333 -0.08333 2 MATRIX SIZE= 34 WEIGHT= 8.00 EIGENVALUES ARE: -2.4094255 -2.4094255 -0.7456849 -0.7456849 -0.1252952 -0.1252952 -0.1070685 -0.1070685 0.6116825 0.6116825 0.9123374 0.9123374 0.9784801 0.9784801 0.9802369 0.9802369 1.0350596 1.0350596 1.0726574 1.0726574 1.0871040 1.0871040 1.1164907 1.1164907 1.1429599 1.1429599 1.1656481 1.1656481 1.1833886 1.1833886 1.4389114 1.4389114 1.4426701 1.4426701 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.16667 0.16667 -0.16667 3 MATRIX SIZE= 36 WEIGHT= 8.00 EIGENVALUES ARE: -2.4056404 -2.4056404 -0.7592861 -0.7592861 -0.1746925 -0.1746925 -0.1148432 -0.1148432 0.6859009 0.6859009 0.9099978 0.9099978 0.9687009 0.9687009 0.9782542 0.9782542 1.0320972 1.0320972 1.0439748 1.0439748 1.0648054 1.0648054 1.1147891 1.1147891 1.1609301 1.1609301 1.1985783 1.1985783 1.2239219 1.2239219 1.4300000 1.4300000 1.4449140 1.4449140 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.25000 0.25000 -0.25000 4 MATRIX SIZE= 36 WEIGHT= 8.00 EIGENVALUES ARE: -2.4002708 -2.4002708 -0.7772960 -0.7772960 -0.2284481 -0.2284481 -0.1246010 -0.1246010 0.7438167 0.7438167 0.9350159 0.9350159 0.9674758 0.9674758 0.9819476 0.9819476 1.0269954 1.0269954 1.0405523 1.0405523 1.0555331 1.0555331 1.1154369 1.1154369 1.1943540 1.1943540 1.1949405 1.1949405 1.2261523 1.2261523 1.4725365 1.4725365 1.4958845 1.4958845 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.33333 0.33333 -0.33333 5 MATRIX SIZE= 36 WEIGHT= 8.00 EIGENVALUES ARE: -2.3948632 -2.3948632 -0.7962942 -0.7962942 -0.2730558 -0.2730558 -0.1339258 -0.1339258 0.7560363 0.7560363 0.9397724 0.9397724 0.9860220 0.9860220 0.9893025 0.9893025 1.0335013 1.0335013 1.0562309 1.0562309 1.0564487 1.0564487 1.1171771 1.1171771 1.1615737 1.1615737 1.1915992 1.1915992 1.2589329 1.2589329 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.41667 0.41667 -0.41667 6 MATRIX SIZE= 36 WEIGHT= 8.00 EIGENVALUES ARE: -2.3907938 -2.3907938 -0.8105013 -0.8105013 -0.3017056 -0.3017056 -0.1402900 -0.1402900 0.7527460 0.7527460 0.9314908 0.9314908 0.9912282 0.9912282 0.9948613 0.9948613 1.0580300 1.0580300 1.0716916 1.0716916 1.0808445 1.0808445 1.1198529 1.1198529 1.1269158 1.1269158 1.1540445 1.1540445 1.3594071 1.3594071 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 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 0.50000 -0.50000 7 MATRIX SIZE= 38 WEIGHT= 4.00 EIGENVALUES ARE: -2.3893807 -2.3893807 -0.8174783 -0.8174783 -0.3132591 -0.3132591 -0.1429772 -0.1429772 0.7503588 0.7503588 0.9260985 0.9260985 0.9837769 0.9837769 0.9885018 0.9885018 1.0596006 1.0596006 1.0867738 1.0867738 1.0907253 1.0907253 1.0968208 1.0968208 1.1229210 1.1229210 1.1251703 1.1251703 1.4154352 1.4154352 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.16667 0.00000 0.00000 8 MATRIX SIZE= 34 WEIGHT= 6.00 EIGENVALUES ARE: -2.4089875 -2.4089875 -0.7473559 -0.7473559 -0.1275874 -0.1275874 -0.1128920 -0.1128920 0.6229662 0.6229662 0.9096161 0.9096161 0.9721470 0.9721470 0.9820263 0.9820263 1.0341704 1.0341704 1.0704728 1.0704728 1.0822223 1.0822223 1.1111133 1.1111133 1.1329367 1.1329367 1.1836974 1.1836974 1.1985588 1.1985588 1.4069806 1.4069806 1.4675075 1.4675075 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.25000 0.08333 -0.08333 9 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.4059503 -2.4059503 -0.7574352 -0.7574352 -0.1651917 -0.1651917 -0.1204587 -0.1204587 0.6854983 0.6854983 0.9024209 0.9024209 0.9660927 0.9660927 0.9846395 0.9846395 1.0363632 1.0363632 1.0494070 1.0494070 1.0652272 1.0652272 1.1065434 1.1065434 1.1401131 1.1401131 1.2200640 1.2200640 1.2413027 1.2413027 1.3789386 1.3789386 1.4846431 1.4846431 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.33333 0.16667 -0.16667 10 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.4011411 -2.4011411 -0.7740558 -0.7740558 -0.2162864 -0.2162864 -0.1305630 -0.1305630 0.7543415 0.7543415 0.9145672 0.9145672 0.9557326 0.9557326 0.9855100 0.9855100 1.0293546 1.0293546 1.0393819 1.0393819 1.0552331 1.0552331 1.1050290 1.1050290 1.1580606 1.1580606 1.2222229 1.2222229 1.2538074 1.2538074 1.4138446 1.4138446 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.41667 0.25000 -0.25000 11 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3957188 -2.3957188 -0.7922708 -0.7922708 -0.2624726 -0.2624726 -0.1411229 -0.1411229 0.7788432 0.7788432 0.9365115 0.9365115 0.9648919 0.9648919 0.9934837 0.9934837 1.0275124 1.0275124 1.0437586 1.0437586 1.0610973 1.0610973 1.1048373 1.1048373 1.1814552 1.1814552 1.2095821 1.2095821 1.2291792 1.2291792 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.33333 -0.33333 12 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3911799 -2.3911799 -0.8076666 -0.8076666 -0.2954716 -0.2954716 -0.1494215 -0.1494215 0.7778960 0.7778960 0.9260606 0.9260606 0.9838700 0.9838700 0.9976195 0.9976195 1.0487294 1.0487294 1.0533484 1.0533484 1.0815179 1.0815179 1.1055690 1.1055690 1.1520139 1.1520139 1.1960276 1.1960276 1.2885405 1.2885405 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.58333 0.41667 -0.41667 13 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3888678 -2.3888678 -0.8164940 -0.8164940 -0.3119351 -0.3119351 -0.1537384 -0.1537384 0.7753949 0.7753949 0.9181761 0.9181761 0.9867935 0.9867935 0.9918486 0.9918486 1.0554724 1.0554724 1.0651860 1.0651860 1.0965820 1.0965820 1.1038010 1.1038010 1.1239623 1.1239623 1.1723229 1.1723229 1.3676123 1.3676123 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.50000 -0.50000 14 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3893471 -2.3893471 -0.8143256 -0.8143256 -0.3083763 -0.3083763 -0.1526873 -0.1526873 0.7769586 0.7769586 0.9201354 0.9201354 0.9880653 0.9880653 0.9930251 0.9930251 1.0548688 1.0548688 1.0636254 1.0636254 1.0960372 1.0960372 1.1030999 1.1030999 1.1318865 1.1318865 1.1741107 1.1741107 1.3530356 1.3530356 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.75000 0.58333 -0.58333 15 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3925408 -2.3925408 -0.8030376 -0.8030376 -0.2863888 -0.2863888 -0.1467694 -0.1467694 0.7810490 0.7810490 0.9285281 0.9285281 0.9827164 0.9827164 0.9948738 0.9948738 1.0403468 1.0403468 1.0495257 1.0495257 1.0733499 1.0733499 1.1091838 1.1091838 1.1610088 1.1610088 1.2005399 1.2005399 1.2643419 1.2643419 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.66667 -0.66667 16 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3975209 -2.3975209 -0.7861072 -0.7861072 -0.2485762 -0.2485762 -0.1369408 -0.1369408 0.7775769 0.7775769 0.9356790 0.9356790 0.9604504 0.9604504 0.9899800 0.9899800 1.0228817 1.0228817 1.0456428 1.0456428 1.0554043 1.0554043 1.1085860 1.1085860 1.1813776 1.1813776 1.2060428 1.2060428 1.2384979 1.2384979 1.4426827 1.4426827 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.91667 0.75000 -0.75000 17 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.4029028 -2.4029028 -0.7680606 -0.7680606 -0.2001876 -0.2001876 -0.1252168 -0.1252168 0.7344377 0.7344377 0.9088100 0.9088100 0.9612188 0.9612188 0.9839250 0.9839250 1.0310632 1.0310632 1.0425340 1.0425340 1.0563979 1.0563979 1.1093690 1.1093690 1.1574349 1.1574349 1.2170328 1.2170328 1.2542106 1.2542106 1.3814313 1.3814313 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.83333 -0.83333 18 MATRIX SIZE= 34 WEIGHT=12.00 EIGENVALUES ARE: -2.4072568 -2.4072568 -0.7533753 -0.7533753 -0.1528282 -0.1528282 -0.1143214 -0.1143214 0.6593601 0.6593601 0.9066881 0.9066881 0.9696509 0.9696509 0.9803495 0.9803495 1.0331644 1.0331644 1.0552234 1.0552234 1.0702055 1.0702055 1.1121944 1.1121944 1.1461341 1.1461341 1.1987971 1.1987971 1.2175850 1.2175850 1.3997276 1.3997276 1.4666698 1.4666698 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 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= 0.33333 0.00000 0.00000 19 MATRIX SIZE= 34 WEIGHT= 6.00 EIGENVALUES ARE: -2.4038589 -2.4038589 -0.7640193 -0.7640193 -0.1802481 -0.1802481 -0.1352071 -0.1352071 0.7284572 0.7284572 0.8889843 0.8889843 0.9575753 0.9575753 0.9884763 0.9884763 1.0399466 1.0399466 1.0431625 1.0431625 1.0581885 1.0581885 1.0958194 1.0958194 1.1242236 1.1242236 1.2673205 1.2673205 1.2942935 1.2942935 1.3306122 1.3306122 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.41667 0.08333 -0.08333 20 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3998285 -2.3998285 -0.7769161 -0.7769161 -0.2174710 -0.2174710 -0.1476451 -0.1476451 0.7888652 0.7888652 0.8831250 0.8831250 0.9504996 0.9504996 0.9931395 0.9931395 1.0309491 1.0309491 1.0400899 1.0400899 1.0567881 1.0567881 1.0925774 1.0925774 1.1258765 1.1258765 1.2558510 1.2558510 1.3248407 1.3248407 1.3855516 1.3855516 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.16667 -0.16667 21 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3949240 -2.3949240 -0.7929201 -0.7929201 -0.2582465 -0.2582465 -0.1607398 -0.1607398 0.8184411 0.8184411 0.9115056 0.9115056 0.9409991 0.9409991 0.9979465 0.9979465 1.0240233 1.0240233 1.0359704 1.0359704 1.0665314 1.0665314 1.0921422 1.0921422 1.1419685 1.1419685 1.2138491 1.2138491 1.3182810 1.3182810 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.58333 0.25000 -0.25000 22 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3904379 -2.3904379 -0.8080836 -0.8080836 -0.2915811 -0.2915811 -0.1725105 -0.1725105 0.8199812 0.8199812 0.9221335 0.9221335 0.9577852 0.9577852 0.9942191 0.9942191 1.0291549 1.0291549 1.0418391 1.0418391 1.0791615 1.0791615 1.0930006 1.0930006 1.1565224 1.1565224 1.2083406 1.2083406 1.2885015 1.2885015 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.33333 -0.33333 23 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3875566 -2.3875566 -0.8174907 -0.8174907 -0.3112607 -0.3112607 -0.1795964 -0.1795964 0.8227417 0.8227417 0.9113285 0.9113285 0.9794610 0.9794610 0.9963021 0.9963021 1.0333803 1.0333803 1.0645530 1.0645530 1.0946095 1.0946095 1.0997944 1.0997944 1.1415985 1.1415985 1.2540305 1.2540305 1.2784656 1.2784656 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.75000 0.41667 -0.41667 24 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3871997 -2.3871997 -0.8182821 -0.8182821 -0.3139785 -0.3139785 -0.1803605 -0.1803605 0.8313204 0.8313204 0.9054789 0.9054789 0.9862347 0.9862347 0.9931969 0.9931969 1.0347723 1.0347723 1.0678375 1.0678375 1.0986856 1.0986856 1.1036068 1.1036068 1.1316702 1.1316702 1.2427319 1.2427319 1.2986361 1.2986361 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.50000 -0.50000 25 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3894094 -2.3894094 -0.8106639 -0.8106639 -0.3001134 -0.3001134 -0.1736979 -0.1736979 0.8418944 0.8418944 0.9101191 0.9101191 0.9795922 0.9795922 0.9974683 0.9974683 1.0329166 1.0329166 1.0534807 1.0534807 1.0919558 1.0919558 1.1032741 1.1032741 1.1528433 1.1528433 1.2363619 1.2363619 1.2549408 1.2549408 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.91667 0.58333 -0.58333 26 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3935415 -2.3935415 -0.7972485 -0.7972485 -0.2721362 -0.2721362 -0.1607262 -0.1607262 0.8457710 0.8457710 0.9225910 0.9225910 0.9524254 0.9524254 1.0011684 1.0011684 1.0181010 1.0181010 1.0447674 1.0447674 1.0725645 1.0725645 1.1043866 1.1043866 1.1691420 1.1691420 1.1943226 1.1943226 1.2818453 1.2818453 1.4241887 1.4241887 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.66667 -0.66667 27 MATRIX SIZE= 34 WEIGHT=12.00 EIGENVALUES ARE: -2.3985023 -2.3985023 -0.7819543 -0.7819543 -0.2359545 -0.2359545 -0.1432983 -0.1432983 0.8084867 0.8084867 0.9098513 0.9098513 0.9469113 0.9469113 0.9914952 0.9914952 1.0196752 1.0196752 1.0476883 1.0476883 1.0543021 1.0543021 1.1053064 1.1053064 1.1548870 1.1548870 1.2121928 1.2121928 1.3234698 1.3234698 1.3291567 1.3291567 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.00000 0.00000 28 MATRIX SIZE= 34 WEIGHT= 6.00 EIGENVALUES ARE: -2.3967537 -2.3967537 -0.7860853 -0.7860853 -0.2371635 -0.2371635 -0.1635820 -0.1635820 0.8100079 0.8100079 0.8600382 0.8600382 0.9645978 0.9645978 0.9961898 0.9961898 1.0246934 1.0246934 1.0378613 1.0378613 1.0616329 1.0616329 1.0864208 1.0864208 1.1133269 1.1133269 1.2745066 1.2745066 1.3951643 1.3951643 1.4201148 1.4201148 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.58333 0.08333 -0.08333 29 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3926368 -2.3926368 -0.7982959 -0.7982959 -0.2657367 -0.2657367 -0.1779894 -0.1779894 0.8150471 0.8150471 0.8578964 0.8578964 0.9803107 0.9803107 1.0034353 1.0034353 1.0196159 1.0196159 1.0379471 1.0379471 1.0750116 1.0750116 1.0878521 1.0878521 1.1157618 1.1157618 1.2662042 1.2662042 1.4349736 1.4349736 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.16667 -0.16667 30 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3886319 -2.3886319 -0.8107637 -0.8107637 -0.2922960 -0.2922960 -0.1931718 -0.1931718 0.8120294 0.8120294 0.8888379 0.8888379 0.9759525 0.9759525 1.0028062 1.0028062 1.0187752 1.0187752 1.0450531 1.0450531 1.0851728 1.0851728 1.0950893 1.0950893 1.1238329 1.1238329 1.2533554 1.2533554 1.4135168 1.4135168 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.75000 0.25000 -0.25000 31 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3857761 -2.3857761 -0.8207246 -0.8207246 -0.3112151 -0.3112151 -0.2054930 -0.2054930 0.8148212 0.8148212 0.9359760 0.9359760 0.9662698 0.9662698 0.9978865 0.9978865 1.0217076 1.0217076 1.0568083 1.0568083 1.0909064 1.0909064 1.0988878 1.0988878 1.1324601 1.1324601 1.2550744 1.2550744 1.3766174 1.3766174 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.33333 -0.33333 32 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3849342 -2.3849342 -0.8209192 -0.8209192 -0.3161776 -0.3161776 -0.2094450 -0.2094450 0.8282510 0.8282510 0.9483059 0.9483059 0.9802056 0.9802056 0.9922303 0.9922303 1.0229929 1.0229929 1.0665974 1.0665974 1.0924018 1.0924018 1.0974390 1.0974390 1.1326641 1.1326641 1.2546423 1.2546423 1.3448948 1.3448948 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.91667 0.41667 -0.41667 33 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3862727 -2.3862727 -0.8166887 -0.8166887 -0.3106143 -0.3106143 -0.2023256 -0.2023256 0.8514583 0.8514583 0.9424179 0.9424179 0.9795582 0.9795582 0.9996286 0.9996286 1.0269134 1.0269134 1.0618005 1.0618005 1.0965952 1.0965952 1.1012969 1.1012969 1.1418666 1.1418666 1.2131935 1.2131935 1.3243185 1.3243185 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.50000 -0.50000 34 MATRIX SIZE= 34 WEIGHT=12.00 EIGENVALUES ARE: -2.3894267 -2.3894267 -0.8079681 -0.8079681 -0.2944513 -0.2944513 -0.1849568 -0.1849568 0.8768195 0.8768195 0.9317529 0.9317529 0.9572420 0.9572420 1.0052598 1.0052598 1.0226038 1.0226038 1.0456449 1.0456449 1.0914476 1.0914476 1.1031210 1.1031210 1.1631795 1.1631795 1.1764360 1.1764360 1.3126600 1.3126600 1.4634295 1.4634295 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.00000 0.00000 35 MATRIX SIZE= 34 WEIGHT= 6.00 EIGENVALUES ARE: -2.3894928 -2.3894928 -0.8069847 -0.8069847 -0.2834865 -0.2834865 -0.1896059 -0.1896059 0.7857092 0.7857092 0.8316259 0.8316259 1.0031602 1.0031602 1.0133919 1.0133919 1.0180987 1.0180987 1.0472529 1.0472529 1.0891760 1.0891760 1.0929451 1.0929451 1.1179914 1.1179914 1.3392014 1.3392014 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.75000 0.08333 -0.08333 36 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3863775 -2.3863775 -0.8167285 -0.8167285 -0.3020923 -0.3020923 -0.2028603 -0.2028603 0.7732148 0.7732148 0.8331867 0.8331867 0.9995930 0.9995930 1.0046404 1.0046404 1.0127978 1.0127978 1.0505159 1.0505159 1.0871454 1.0871454 1.0960175 1.0960175 1.1095295 1.1095295 1.3679676 1.3679676 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.16667 -0.16667 37 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3840223 -2.3840223 -0.8255423 -0.8255423 -0.3151458 -0.3151458 -0.2181329 -0.2181329 0.7781350 0.7781350 0.8730478 0.8730478 0.9983502 0.9983502 0.9997346 0.9997346 1.0124360 1.0124360 1.0529082 1.0529082 1.0892886 1.0892886 1.0996273 1.0996273 1.1105629 1.1105629 1.3543998 1.3543998 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.91667 0.25000 -0.25000 38 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3831207 -2.3831207 -0.8241588 -0.8241588 -0.3176396 -0.3176396 -0.2268254 -0.2268254 0.7940097 0.7940097 0.9372601 0.9372601 0.9929300 0.9929300 1.0008733 1.0008733 1.0147401 1.0147401 1.0526353 1.0526353 1.0916708 1.0916708 1.0968476 1.0968476 1.1174857 1.1174857 1.3152901 1.3152901 1.4621718 1.4621718 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.33333 -0.33333 39 MATRIX SIZE= 34 WEIGHT=12.00 EIGENVALUES ARE: -2.3839836 -2.3839836 -0.8219410 -0.8219410 -0.3169683 -0.3169683 -0.2220134 -0.2220134 0.8201718 0.8201718 0.9657122 0.9657122 0.9870796 0.9870796 1.0027176 1.0027176 1.0258371 1.0258371 1.0612090 1.0612090 1.0867352 1.0867352 1.0965687 1.0965687 1.1230521 1.1230521 1.2488238 1.2488238 1.3970227 1.3970227 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.00000 0.00000 40 MATRIX SIZE= 34 WEIGHT= 6.00 EIGENVALUES ARE: -2.3842491 -2.3842491 -0.8230610 -0.8230610 -0.3146724 -0.3146724 -0.2077796 -0.2077796 0.7423872 0.7423872 0.8095906 0.8095906 0.9962744 0.9962744 1.0046189 1.0046189 1.0101464 1.0101464 1.0546360 1.0546360 1.0865599 1.0865599 1.0992587 1.0992587 1.1055436 1.1055436 1.4900168 1.4900168 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.91667 0.08333 -0.08333 41 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3827624 -2.3827624 -0.8300956 -0.8300956 -0.3225408 -0.3225408 -0.2175193 -0.2175193 0.7421603 0.7421603 0.8192903 0.8192903 0.9943120 0.9943120 1.0043121 1.0043121 1.0090270 1.0090270 1.0551018 1.0551018 1.0876379 1.0876379 1.1021015 1.1021015 1.1047722 1.1047722 1.4994015 1.4994015 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.16667 -0.16667 42 MATRIX SIZE= 36 WEIGHT=12.00 EIGENVALUES ARE: -2.3823127 -2.3823127 -0.8305519 -0.8305519 -0.3227404 -0.3227404 -0.2273228 -0.2273228 0.7634037 0.7634037 0.8673273 0.8673273 0.9982062 0.9982062 1.0075327 1.0075327 1.0100063 1.0100063 1.0543979 1.0543979 1.0920390 1.0920390 1.1007577 1.1007577 1.1122352 1.1122352 1.4227104 1.4227104 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.00000 0.00000 43 MATRIX SIZE= 34 WEIGHT= 3.00 EIGENVALUES ARE: -2.3822894 -2.3822894 -0.8271398 -0.8271398 -0.3261529 -0.3261529 -0.2129285 -0.2129285 0.7253952 0.7253952 0.8023862 0.8023862 0.9935547 0.9935547 1.0046057 1.0046057 1.0085654 1.0085654 1.0577438 1.0577438 1.0870939 1.0870939 1.1031835 1.1031835 1.1033284 1.1033284 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.33333 0.16667 0.00000 44 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.4024407 -2.4024407 -0.7690690 -0.7690690 -0.1994440 -0.1994440 -0.1334832 -0.1334832 0.7505744 0.7505744 0.8961096 0.8961096 0.9554626 0.9554626 0.9869059 0.9869059 1.0322966 1.0322966 1.0430668 1.0430668 1.0550866 1.0550866 1.1011004 1.1011004 1.1390313 1.1390313 1.2371292 1.2371292 1.2908239 1.2908239 1.3550894 1.3550894 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 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= 0.41667 0.25000 -0.08333 45 MATRIX SIZE= 34 WEIGHT=48.00 EIGENVALUES ARE: -2.3975248 -2.3975248 -0.7847704 -0.7847704 -0.2419086 -0.2419086 -0.1477062 -0.1477062 0.8096930 0.8096930 0.9134251 0.9134251 0.9432385 0.9432385 0.9947304 0.9947304 1.0222810 1.0222810 1.0429354 1.0429354 1.0594828 1.0594828 1.1007244 1.1007244 1.1527114 1.1527114 1.2126217 1.2126217 1.3005307 1.3005307 1.4069248 1.4069248 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.33333 -0.16667 46 MATRIX SIZE= 36 WEIGHT=48.00 EIGENVALUES ARE: -2.3925560 -2.3925560 -0.8010239 -0.8010239 -0.2797043 -0.2797043 -0.1606659 -0.1606659 0.8216995 0.8216995 0.9235718 0.9235718 0.9611723 0.9611723 1.0003695 1.0003695 1.0283651 1.0283651 1.0454755 1.0454755 1.0763729 1.0763729 1.1014579 1.1014579 1.1714622 1.1714622 1.1966061 1.1966061 1.2696894 1.2696894 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.58333 0.41667 -0.25000 47 MATRIX SIZE= 36 WEIGHT=48.00 EIGENVALUES ARE: -2.3889058 -2.3889058 -0.8135490 -0.8135490 -0.3052483 -0.3052483 -0.1698856 -0.1698856 0.8194483 0.8194483 0.9089064 0.9089064 0.9796928 0.9796928 0.9952169 0.9952169 1.0366002 1.0366002 1.0592629 1.0592629 1.0913738 1.0913738 1.1000587 1.1000587 1.1438943 1.1438943 1.2326280 1.2326280 1.2760295 1.2760295 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.50000 -0.33333 48 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3875484 -2.3875484 -0.8183776 -0.8183776 -0.3143194 -0.3143194 -0.1731569 -0.1731569 0.8182014 0.8182014 0.9033746 0.9033746 0.9869896 0.9869896 0.9924580 0.9924580 1.0397163 1.0397163 1.0677306 1.0677306 1.0981284 1.0981284 1.1048933 1.1048933 1.1277169 1.1277169 1.2244892 1.2244892 1.3195340 1.3195340 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.50000 0.16667 0.00000 49 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3957778 -2.3957778 -0.7895806 -0.7895806 -0.2478493 -0.2478493 -0.1637265 -0.1637265 0.8300902 0.8300902 0.8774327 0.8774327 0.9492124 0.9492124 0.9983127 0.9983127 1.0215468 1.0215468 1.0378286 1.0378286 1.0644887 1.0644887 1.0909009 1.0909009 1.1229628 1.1229628 1.2323809 1.2323809 1.3940316 1.3940316 1.4164462 1.4164462 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.58333 0.25000 -0.08333 50 MATRIX SIZE= 34 WEIGHT=48.00 EIGENVALUES ARE: -2.3912947 -2.3912947 -0.8031423 -0.8031423 -0.2787637 -0.2787637 -0.1802528 -0.1802528 0.8435210 0.8435210 0.9023969 0.9023969 0.9470559 0.9470559 1.0027535 1.0027535 1.0183392 1.0183392 1.0419556 1.0419556 1.0789583 1.0789583 1.0950646 1.0950646 1.1334064 1.1334064 1.2070648 1.2070648 1.3822168 1.3822168 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.33333 -0.16667 51 MATRIX SIZE= 36 WEIGHT=48.00 EIGENVALUES ARE: -2.3875958 -2.3875958 -0.8155896 -0.8155896 -0.3034829 -0.3034829 -0.1939444 -0.1939444 0.8439884 0.8439884 0.9210601 0.9210601 0.9582045 0.9582045 1.0004723 1.0004723 1.0233689 1.0233689 1.0557272 1.0557272 1.0900515 1.0900515 1.0990618 1.0990618 1.1447320 1.1447320 1.2076264 1.2076264 1.3489328 1.3489328 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.75000 0.41667 -0.25000 52 MATRIX SIZE= 36 WEIGHT=48.00 EIGENVALUES ARE: -2.3857616 -2.3857616 -0.8213770 -0.8213770 -0.3153999 -0.3153999 -0.2010841 -0.2010841 0.8512554 0.8512554 0.9117747 0.9117747 0.9781347 0.9781347 0.9935887 0.9935887 1.0265863 1.0265863 1.0670797 1.0670797 1.0957434 1.0957434 1.1000635 1.1000635 1.1364509 1.1364509 1.2447520 1.2447520 1.3186500 1.3186500 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.50000 -0.33333 53 MATRIX SIZE= 34 WEIGHT=48.00 EIGENVALUES ARE: -2.3862401 -2.3862401 -0.8176778 -0.8176778 -0.3117182 -0.3117182 -0.1987143 -0.1987143 0.8670916 0.8670916 0.9045812 0.9045812 0.9811756 0.9811756 0.9966139 0.9966139 1.0274030 1.0274030 1.0666502 1.0666502 1.0973816 1.0973816 1.1033075 1.1033075 1.1395654 1.1395654 1.2329723 1.2329723 1.3120531 1.3120531 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.91667 0.58333 -0.41667 54 MATRIX SIZE= 34 WEIGHT=48.00 EIGENVALUES ARE: -2.3889483 -2.3889483 -0.8097757 -0.8097757 -0.2963955 -0.2963955 -0.1874201 -0.1874201 0.8833117 0.8833117 0.9058920 0.9058920 0.9588057 0.9588057 1.0015586 1.0015586 1.0213406 1.0213406 1.0515468 1.0515468 1.0901403 1.0901403 1.1020765 1.1020765 1.1556000 1.1556000 1.1761445 1.1761445 1.3294958 1.3294958 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.66667 -0.50000 55 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3930856 -2.3930856 -0.7980694 -0.7980694 -0.2712883 -0.2712883 -0.1690698 -0.1690698 0.8735689 0.8735689 0.9165990 0.9165990 0.9252488 0.9252488 1.0031435 1.0031435 1.0131652 1.0131652 1.0426340 1.0426340 1.0735166 1.0735166 1.1007411 1.1007411 1.1502085 1.1502085 1.1846198 1.1846198 1.3474080 1.3474080 1.4169873 1.4169873 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.010 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.010 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.16667 0.00000 56 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3890006 -2.3890006 -0.8088392 -0.8088392 -0.2873464 -0.2873464 -0.1936132 -0.1936132 0.8103745 0.8103745 0.8542920 0.8542920 0.9885185 0.9885185 1.0065051 1.0065051 1.0173466 1.0173466 1.0463972 1.0463972 1.0859157 1.0859157 1.0951021 1.0951021 1.1155168 1.1155168 1.2784547 1.2784547 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.75000 0.25000 -0.08333 57 MATRIX SIZE= 34 WEIGHT=48.00 EIGENVALUES ARE: -2.3858388 -2.3858388 -0.8181208 -0.8181208 -0.3048228 -0.3048228 -0.2108209 -0.2108209 0.8130136 0.8130136 0.8848937 0.8848937 0.9804641 0.9804641 0.9999569 0.9999569 1.0163174 1.0163174 1.0529303 1.0529303 1.0888175 1.0888175 1.0984780 1.0984780 1.1162490 1.1162490 1.2702672 1.2702672 1.4834450 1.4834450 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.33333 -0.16667 58 MATRIX SIZE= 36 WEIGHT=48.00 EIGENVALUES ARE: -2.3839534 -2.3839534 -0.8252600 -0.8252600 -0.3155203 -0.3155203 -0.2235472 -0.2235472 0.8215354 0.8215354 0.9377468 0.9377468 0.9746213 0.9746213 0.9963128 0.9963128 1.0195222 1.0195222 1.0584600 1.0584600 1.0938156 1.0938156 1.0985673 1.0985673 1.1256444 1.1256444 1.2600324 1.2600324 1.4284822 1.4284822 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.91667 0.41667 -0.25000 59 MATRIX SIZE= 34 WEIGHT=48.00 EIGENVALUES ARE: -2.3839441 -2.3839441 -0.8218182 -0.8218182 -0.3152280 -0.3152280 -0.2239950 -0.2239950 0.8398565 0.8398565 0.9587700 0.9587700 0.9806399 0.9806399 0.9943683 0.9943683 1.0243701 1.0243701 1.0646593 1.0646593 1.0930757 1.0930757 1.1018761 1.1018761 1.1334617 1.1334617 1.2306146 1.2306146 1.3835215 1.3835215 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.50000 -0.33333 60 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3857894 -2.3857894 -0.8172765 -0.8172765 -0.3092556 -0.3092556 -0.2109703 -0.2109703 0.8658913 0.8658913 0.9473199 0.9473199 0.9665410 0.9665410 1.0001693 1.0001693 1.0221864 1.0221864 1.0625812 1.0625812 1.0964143 1.0964143 1.1035672 1.1035672 1.1427951 1.1427951 1.1798254 1.1798254 1.3658596 1.3658596 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.16667 0.00000 61 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3840377 -2.3840377 -0.8230499 -0.8230499 -0.3136712 -0.3136712 -0.2149757 -0.2149757 0.7687854 0.7687854 0.8368959 0.8368959 0.9987908 0.9987908 1.0034648 1.0034648 1.0136522 1.0136522 1.0548027 1.0548027 1.0902701 1.0902701 1.1014779 1.1014779 1.1095089 1.1095089 1.3953081 1.3953081 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.91667 0.25000 -0.08333 62 MATRIX SIZE= 36 WEIGHT=48.00 EIGENVALUES ARE: -2.3826616 -2.3826616 -0.8290465 -0.8290465 -0.3190439 -0.3190439 -0.2297991 -0.2297991 0.7851095 0.7851095 0.8757763 0.8757763 0.9956600 0.9956600 0.9984724 0.9984724 1.0147138 1.0147138 1.0544815 1.0544815 1.0918865 1.0918865 1.1015460 1.1015460 1.1132233 1.1132233 1.3660682 1.3660682 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 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= 1.00000 0.33333 -0.16667 63 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3826317 -2.3826317 -0.8247383 -0.8247383 -0.3162433 -0.3162433 -0.2353888 -0.2353888 0.8094562 0.8094562 0.9387014 0.9387014 0.9907656 0.9907656 0.9950959 0.9950959 1.0184251 1.0184251 1.0537339 1.0537339 1.0931976 1.0931976 1.0991996 1.0991996 1.1216007 1.1216007 1.2999737 1.2999737 1.4479499 1.4479499 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.16667 0.00000 64 MATRIX SIZE= 36 WEIGHT=12.00 EIGENVALUES ARE: -2.3822561 -2.3822561 -0.8296404 -0.8296404 -0.3238093 -0.3238093 -0.2229281 -0.2229281 0.7523074 0.7523074 0.8299561 0.8299561 0.9935350 0.9935350 1.0034601 1.0034601 1.0097444 1.0097444 1.0551543 1.0551543 1.0884902 1.0884902 1.1017562 1.1017562 1.1064533 1.1064533 1.4806891 1.4806891 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.66667 0.33333 0.00000 65 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3876464 -2.3876464 -0.8126751 -0.8126751 -0.2972171 -0.2972171 -0.2021509 -0.2021509 0.8698018 0.8698018 0.9095716 0.9095716 0.9451052 0.9451052 1.0017616 1.0017616 1.0156034 1.0156034 1.0531115 1.0531115 1.0886535 1.0886535 1.1007813 1.1007813 1.1287767 1.1287767 1.1896311 1.1896311 1.4322536 1.4322536 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.75000 0.41667 -0.08333 66 MATRIX SIZE= 34 WEIGHT=48.00 EIGENVALUES ARE: -2.3849379 -2.3849379 -0.8193992 -0.8193992 -0.3093800 -0.3093800 -0.2194705 -0.2194705 0.8734517 0.8734517 0.9261160 0.9261160 0.9591890 0.9591890 0.9958132 0.9958132 1.0227411 1.0227411 1.0624723 1.0624723 1.0969039 1.0969039 1.1008229 1.1008229 1.1412056 1.1412056 1.1903856 1.1903856 1.4037684 1.4037684 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.50000 -0.16667 67 MATRIX SIZE= 36 WEIGHT=24.00 EIGENVALUES ARE: -2.3839688 -2.3839688 -0.8253100 -0.8253100 -0.3155148 -0.3155148 -0.2267229 -0.2267229 0.8721914 0.8721914 0.9242542 0.9242542 0.9765019 0.9765019 0.9884610 0.9884610 1.0230879 1.0230879 1.0628564 1.0628564 1.0946938 1.0946938 1.1037706 1.1037706 1.1440789 1.1440789 1.2079671 1.2079671 1.3728609 1.3728609 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.83333 0.33333 0.00000 68 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3836424 -2.3836424 -0.8225148 -0.8225148 -0.3108175 -0.3108175 -0.2306293 -0.2306293 0.8352525 0.8352525 0.9032800 0.9032800 0.9751232 0.9751232 0.9950721 0.9950721 1.0170929 1.0170929 1.0578081 1.0578081 1.0925132 1.0925132 1.0995314 1.0995314 1.1206580 1.1206580 1.2580513 1.2580513 1.4801934 1.4801934 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 0.91667 0.41667 -0.08333 69 MATRIX SIZE= 34 WEIGHT=48.00 EIGENVALUES ARE: -2.3826288 -2.3826288 -0.8231384 -0.8231384 -0.3109654 -0.3109654 -0.2434143 -0.2434143 0.8549409 0.8549409 0.9426323 0.9426323 0.9699411 0.9699411 0.9883647 0.9883647 1.0198524 1.0198524 1.0597348 1.0597348 1.0949750 1.0949750 1.1002424 1.1002424 1.1395062 1.1395062 1.2322153 1.2322153 1.4054825 1.4054825 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.50000 -0.16667 70 MATRIX SIZE= 34 WEIGHT=24.00 EIGENVALUES ARE: -2.3831255 -2.3831255 -0.8231953 -0.8231953 -0.3115725 -0.3115725 -0.2393992 -0.2393992 0.8698910 0.8698910 0.9501388 0.9501388 0.9666803 0.9666803 0.9866553 0.9866553 1.0210147 1.0210147 1.0627802 1.0627802 1.0950450 1.0950450 1.1000026 1.1000026 1.1580474 1.1580474 1.1862246 1.1862246 1.3909668 1.3909668 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.33333 0.00000 71 MATRIX SIZE= 34 WEIGHT=12.00 EIGENVALUES ARE: -2.3821827 -2.3821827 -0.8233835 -0.8233835 -0.3130591 -0.3130591 -0.2419853 -0.2419853 0.8215997 0.8215997 0.9001802 0.9001802 0.9876531 0.9876531 0.9901781 0.9901781 1.0160446 1.0160446 1.0553349 1.0553349 1.0912558 1.0912558 1.0997100 1.0997100 1.1202156 1.1202156 1.3167793 1.3167793 1.4525728 1.4525728 0 EIGENVALUES BELOW THE ENERGY ******************************************************** Seclr4(Cholesky complete) : 0.000 Seclr4(Transform to eigenwertproblem) : 0.000 Seclr4(Compute eigenvalues) : 0.000 Seclr4(Backtransform) : 0.000 Seclr4(norm) : 0.000 CPTIME HAMILT= 0.000, DIAG= 0.000 CPTIME Hsoset= 0.000, Horb= 0.000 K= 1.00000 0.50000 0.00000 72 MATRIX SIZE= 34 WEIGHT= 6.00 EIGENVALUES ARE: -2.3820926 -2.3820926 -0.8221116 -0.8221116 -0.3070485 -0.3070485 -0.2532856 -0.2532856 0.8768416 0.8768416 0.9537217 0.9537217 0.9625332 0.9625332 0.9828039 0.9828039 1.0226966 1.0226966 1.0649413 1.0649413 1.0998567 1.0998567 1.1031776 1.1031776 1.1708422 1.1708422 1.1953706 1.1953706 1.3761308 1.3761308 0 EIGENVALUES BELOW THE ENERGY ******************************************************** TOTAL NUMBER OF K-POINTS: 72 TOTAL TIME: 0.150000000000000 read: 0.000000000000000E+000 alm: 1.000000000000001E-002 hmsec: 0.120000000000000 write: 1.999999999999999E-002