----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:53:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.983029080278675 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702768799999999 0.000000000000000 c -4.920316836882393 0.000000000000000 6.280639427113044 Atomic positions (fractional): *1 Li 0.31097724431734 0.16217583887172 0.00288198146462 6.941 2 Li 0.68902275568266 0.66217583887172 0.49711801853538 6.941 3 Li 0.68902275568266 0.83782416112828 0.99711801853538 6.941 4 Li 0.31097724431734 0.33782416112828 0.50288198146462 6.941 *5 Li 0.46615210342255 0.07462334836406 0.76228772287154 6.941 6 Li 0.53384789657745 0.57462334836406 0.73771227712846 6.941 7 Li 0.53384789657745 0.92537665163594 0.23771227712846 6.941 8 Li 0.46615210342255 0.42537665163594 0.26228772287154 6.941 *9 O 0.25646507664074 0.83928450278484 0.96177902760114 15.999 10 O 0.74353492335926 0.16071549721516 0.03822097239885 15.999 11 O 0.25646507664074 0.66071549721516 0.46177902760114 15.999 *12 O 0.39498249696019 0.41016710807857 0.75172971358143 15.999 13 O 0.74353492335926 0.33928450278484 0.53822097239886 15.999 *14 O 0.17314930503659 0.15966609980771 0.46758514948489 15.999 15 O 0.82685069496341 0.65966609980771 0.03241485051511 15.999 16 O 0.82685069496341 0.84033390019229 0.53241485051511 15.999 *17 O 0.95438183582512 0.55820015878287 0.74837024357665 15.999 18 O 0.60501750303982 0.91016710807857 0.74827028641857 15.999 19 O 0.60501750303982 0.58983289192143 0.24827028641857 15.999 20 O 0.39498249696019 0.08983289192143 0.25172971358143 15.999 21 O 0.95438183582512 0.94179984121713 0.24837024357665 15.999 22 O 0.04561816417488 0.05820015878287 0.75162975642335 15.999 23 O 0.04561816417488 0.44179984121713 0.25162975642335 15.999 24 O 0.17314930503659 0.34033390019229 0.96758514948489 15.999 *25 Mg 0.80800290744517 0.16504407907146 0.50029325616121 24.305 26 Mg 0.19199709255483 0.83495592092854 0.49970674383879 24.305 27 Mg 0.80800290744517 0.33495592092854 0.00029325616121 24.305 28 Mg 0.19199709255483 0.66504407907146 0.99970674383879 24.305 *29 Si 0.93633734876884 0.91338494837547 0.74919380792816 28.085 30 Si 0.93633734876884 0.58661505162453 0.24919380792816 28.085 31 Si 0.06366265123116 0.08661505162453 0.25080619207184 28.085 32 Si 0.06366265123116 0.41338494837547 0.75080619207184 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.983029080278675 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702768799999999 0.000000000000000 c -4.920316836882393 0.000000000000000 6.280639427113044 Atomic positions (fractional): *1 Li 0.31097724431734 0.16217583887172 0.00288198146462 6.941 > 1 2 Li 0.68902275568266 0.66217583887172 0.49711801853538 6.941 > 2 3 Li 0.68902275568266 0.83782416112828 0.99711801853538 6.941 > 3 4 Li 0.31097724431734 0.33782416112828 0.50288198146462 6.941 > 4 *5 Li 0.46615210342255 0.07462334836406 0.76228772287154 6.941 > 5 6 Li 0.53384789657745 0.57462334836406 0.73771227712846 6.941 > 6 7 Li 0.53384789657745 0.92537665163594 0.23771227712846 6.941 > 7 8 Li 0.46615210342255 0.42537665163594 0.26228772287154 6.941 > 8 *9 O 0.25646507664074 0.83928450278484 0.96177902760114 15.999 > 9 10 O 0.74353492335926 0.16071549721516 0.03822097239885 15.999 > 10 11 O 0.25646507664074 0.66071549721516 0.46177902760114 15.999 > 11 *12 O 0.39498249696019 0.41016710807857 0.75172971358143 15.999 > 12 13 O 0.74353492335926 0.33928450278484 0.53822097239886 15.999 > 13 *14 O 0.17314930503659 0.15966609980771 0.46758514948489 15.999 > 14 15 O 0.82685069496341 0.65966609980771 0.03241485051511 15.999 > 15 16 O 0.82685069496341 0.84033390019229 0.53241485051511 15.999 > 16 *17 O 0.95438183582512 0.55820015878287 0.74837024357665 15.999 > 17 18 O 0.60501750303982 0.91016710807857 0.74827028641857 15.999 > 18 19 O 0.60501750303982 0.58983289192143 0.24827028641857 15.999 > 19 20 O 0.39498249696019 0.08983289192143 0.25172971358143 15.999 > 20 21 O 0.95438183582512 0.94179984121713 0.24837024357665 15.999 > 21 22 O 0.04561816417488 0.05820015878287 0.75162975642335 15.999 > 22 23 O 0.04561816417488 0.44179984121713 0.25162975642335 15.999 > 23 24 O 0.17314930503659 0.34033390019229 0.96758514948489 15.999 > 24 *25 Mg 0.80800290744517 0.16504407907146 0.50029325616121 24.305 > 25 26 Mg 0.19199709255483 0.83495592092854 0.49970674383879 24.305 > 26 27 Mg 0.80800290744517 0.33495592092854 0.00029325616121 24.305 > 27 28 Mg 0.19199709255483 0.66504407907146 0.99970674383879 24.305 > 28 *29 Si 0.93633734876884 0.91338494837547 0.74919380792816 28.085 > 29 30 Si 0.93633734876884 0.58661505162453 0.24919380792816 28.085 > 30 31 Si 0.06366265123116 0.08661505162453 0.25080619207184 28.085 > 31 32 Si 0.06366265123116 0.41338494837547 0.75080619207184 28.085 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.966058160557351 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702768799999999 0.000000000000000 c -9.840633673764787 0.000000000000000 12.561278854226089 Atomic positions (fractional): *1 Li 0.15548862215867 0.16217583887172 0.00144099073231 6.941 > 1 2 Li 0.65548862215867 0.16217583887172 0.00144099073231 6.941 > 1 3 Li 0.15548862215867 0.16217583887172 0.50144099073231 6.941 > 1 4 Li 0.65548862215867 0.16217583887172 0.50144099073231 6.941 > 1 5 Li 0.34451137784133 0.66217583887172 0.24855900926769 6.941 > 2 6 Li 0.84451137784133 0.66217583887172 0.24855900926769 6.941 > 2 7 Li 0.34451137784133 0.66217583887172 0.74855900926769 6.941 > 2 8 Li 0.84451137784133 0.66217583887172 0.74855900926769 6.941 > 2 9 Li 0.34451137784133 0.83782416112828 0.49855900926769 6.941 > 3 10 Li 0.84451137784133 0.83782416112828 0.49855900926769 6.941 > 3 11 Li 0.34451137784133 0.83782416112828 0.99855900926769 6.941 > 3 12 Li 0.84451137784133 0.83782416112828 0.99855900926769 6.941 > 3 13 Li 0.15548862215867 0.33782416112828 0.25144099073231 6.941 > 4 14 Li 0.65548862215867 0.33782416112828 0.25144099073231 6.941 > 4 15 Li 0.15548862215867 0.33782416112828 0.75144099073231 6.941 > 4 16 Li 0.65548862215867 0.33782416112828 0.75144099073231 6.941 > 4 *17 Li 0.23307605171128 0.07462334836406 0.38114386143577 6.941 > 5 18 Li 0.73307605171128 0.07462334836406 0.38114386143577 6.941 > 5 19 Li 0.23307605171128 0.07462334836406 0.88114386143577 6.941 > 5 20 Li 0.73307605171128 0.07462334836406 0.88114386143577 6.941 > 5 21 Li 0.26692394828872 0.57462334836406 0.36885613856423 6.941 > 6 22 Li 0.76692394828872 0.57462334836406 0.36885613856423 6.941 > 6 23 Li 0.26692394828872 0.57462334836406 0.86885613856423 6.941 > 6 24 Li 0.76692394828872 0.57462334836406 0.86885613856423 6.941 > 6 25 Li 0.26692394828872 0.92537665163594 0.11885613856423 6.941 > 7 26 Li 0.76692394828872 0.92537665163594 0.11885613856423 6.941 > 7 27 Li 0.26692394828872 0.92537665163594 0.61885613856423 6.941 > 7 28 Li 0.76692394828872 0.92537665163594 0.61885613856423 6.941 > 7 29 Li 0.23307605171128 0.42537665163594 0.13114386143577 6.941 > 8 30 Li 0.73307605171128 0.42537665163594 0.13114386143577 6.941 > 8 31 Li 0.23307605171128 0.42537665163594 0.63114386143577 6.941 > 8 32 Li 0.73307605171128 0.42537665163594 0.63114386143577 6.941 > 8 *33 O 0.12823253832037 0.83928450278484 0.48088951380057 15.999 > 9 34 O 0.62823253832037 0.83928450278484 0.48088951380057 15.999 > 9 35 O 0.12823253832037 0.83928450278484 0.98088951380057 15.999 > 9 36 O 0.62823253832037 0.83928450278484 0.98088951380057 15.999 > 9 37 O 0.37176746167963 0.16071549721516 0.01911048619943 15.999 > 10 38 O 0.87176746167963 0.16071549721516 0.01911048619943 15.999 > 10 39 O 0.37176746167963 0.16071549721516 0.51911048619943 15.999 > 10 40 O 0.87176746167963 0.16071549721516 0.51911048619943 15.999 > 10 41 O 0.12823253832037 0.66071549721516 0.23088951380057 15.999 > 11 42 O 0.62823253832037 0.66071549721516 0.23088951380057 15.999 > 11 43 O 0.12823253832037 0.66071549721516 0.73088951380057 15.999 > 11 44 O 0.62823253832037 0.66071549721516 0.73088951380057 15.999 > 11 *45 O 0.19749124848009 0.41016710807857 0.37586485679071 15.999 > 12 46 O 0.69749124848009 0.41016710807857 0.37586485679071 15.999 > 12 47 O 0.19749124848009 0.41016710807857 0.87586485679071 15.999 > 12 48 O 0.69749124848009 0.41016710807857 0.87586485679071 15.999 > 12 49 O 0.37176746167963 0.33928450278484 0.26911048619943 15.999 > 13 50 O 0.87176746167963 0.33928450278484 0.26911048619943 15.999 > 13 51 O 0.37176746167963 0.33928450278484 0.76911048619943 15.999 > 13 52 O 0.87176746167963 0.33928450278484 0.76911048619943 15.999 > 13 *53 O 0.08657465251829 0.15966609980771 0.23379257474245 15.999 > 14 54 O 0.58657465251829 0.15966609980771 0.23379257474245 15.999 > 14 55 O 0.08657465251829 0.15966609980771 0.73379257474245 15.999 > 14 56 O 0.58657465251829 0.15966609980771 0.73379257474245 15.999 > 14 57 O 0.41342534748171 0.65966609980771 0.01620742525755 15.999 > 15 58 O 0.91342534748171 0.65966609980771 0.01620742525755 15.999 > 15 59 O 0.41342534748171 0.65966609980771 0.51620742525755 15.999 > 15 60 O 0.91342534748171 0.65966609980771 0.51620742525755 15.999 > 15 61 O 0.41342534748171 0.84033390019229 0.26620742525755 15.999 > 16 62 O 0.91342534748171 0.84033390019229 0.26620742525755 15.999 > 16 63 O 0.41342534748171 0.84033390019229 0.76620742525755 15.999 > 16 64 O 0.91342534748171 0.84033390019229 0.76620742525755 15.999 > 16 *65 O 0.47719091791256 0.55820015878287 0.37418512178833 15.999 > 17 66 O 0.97719091791256 0.55820015878287 0.37418512178833 15.999 > 17 67 O 0.47719091791256 0.55820015878287 0.87418512178833 15.999 > 17 68 O 0.97719091791256 0.55820015878287 0.87418512178833 15.999 > 17 69 O 0.30250875151991 0.91016710807857 0.37413514320929 15.999 > 18 70 O 0.80250875151991 0.91016710807857 0.37413514320929 15.999 > 18 71 O 0.30250875151991 0.91016710807857 0.87413514320929 15.999 > 18 72 O 0.80250875151991 0.91016710807857 0.87413514320929 15.999 > 18 73 O 0.30250875151991 0.58983289192143 0.12413514320928 15.999 > 19 74 O 0.80250875151991 0.58983289192143 0.12413514320928 15.999 > 19 75 O 0.30250875151991 0.58983289192143 0.62413514320928 15.999 > 19 76 O 0.80250875151991 0.58983289192143 0.62413514320928 15.999 > 19 77 O 0.19749124848009 0.08983289192143 0.12586485679071 15.999 > 20 78 O 0.69749124848009 0.08983289192143 0.12586485679071 15.999 > 20 79 O 0.19749124848009 0.08983289192143 0.62586485679072 15.999 > 20 80 O 0.69749124848009 0.08983289192143 0.62586485679072 15.999 > 20 81 O 0.47719091791256 0.94179984121713 0.12418512178833 15.999 > 21 82 O 0.97719091791256 0.94179984121713 0.12418512178833 15.999 > 21 83 O 0.47719091791256 0.94179984121713 0.62418512178833 15.999 > 21 84 O 0.97719091791256 0.94179984121713 0.62418512178833 15.999 > 21 85 O 0.02280908208744 0.05820015878287 0.37581487821167 15.999 > 22 86 O 0.52280908208744 0.05820015878287 0.37581487821167 15.999 > 22 87 O 0.02280908208744 0.05820015878287 0.87581487821167 15.999 > 22 88 O 0.52280908208744 0.05820015878287 0.87581487821167 15.999 > 22 89 O 0.02280908208744 0.44179984121713 0.12581487821167 15.999 > 23 90 O 0.52280908208744 0.44179984121713 0.12581487821167 15.999 > 23 91 O 0.02280908208744 0.44179984121713 0.62581487821167 15.999 > 23 92 O 0.52280908208744 0.44179984121713 0.62581487821167 15.999 > 23 93 O 0.08657465251829 0.34033390019229 0.48379257474245 15.999 > 24 94 O 0.58657465251829 0.34033390019229 0.48379257474245 15.999 > 24 95 O 0.08657465251829 0.34033390019229 0.98379257474245 15.999 > 24 96 O 0.58657465251829 0.34033390019229 0.98379257474245 15.999 > 24 *97 Mg 0.40400145372258 0.16504407907146 0.25014662808060 24.305 > 25 98 Mg 0.90400145372258 0.16504407907146 0.25014662808060 24.305 > 25 99 Mg 0.40400145372258 0.16504407907146 0.75014662808060 24.305 > 25 100 Mg 0.90400145372258 0.16504407907146 0.75014662808060 24.305 > 25 101 Mg 0.09599854627742 0.83495592092854 0.24985337191940 24.305 > 26 102 Mg 0.59599854627742 0.83495592092854 0.24985337191940 24.305 > 26 103 Mg 0.09599854627742 0.83495592092854 0.74985337191940 24.305 > 26 104 Mg 0.59599854627742 0.83495592092854 0.74985337191940 24.305 > 26 105 Mg 0.40400145372258 0.33495592092854 0.00014662808060 24.305 > 27 106 Mg 0.90400145372258 0.33495592092854 0.00014662808060 24.305 > 27 107 Mg 0.40400145372258 0.33495592092854 0.50014662808060 24.305 > 27 108 Mg 0.90400145372258 0.33495592092854 0.50014662808060 24.305 > 27 109 Mg 0.09599854627742 0.66504407907146 0.49985337191940 24.305 > 28 110 Mg 0.59599854627742 0.66504407907146 0.49985337191940 24.305 > 28 111 Mg 0.09599854627742 0.66504407907146 0.99985337191940 24.305 > 28 112 Mg 0.59599854627742 0.66504407907146 0.99985337191940 24.305 > 28 *113 Si 0.46816867438442 0.91338494837547 0.37459690396408 28.085 > 29 114 Si 0.96816867438442 0.91338494837547 0.37459690396408 28.085 > 29 115 Si 0.46816867438442 0.91338494837547 0.87459690396408 28.085 > 29 116 Si 0.96816867438442 0.91338494837547 0.87459690396408 28.085 > 29 117 Si 0.46816867438442 0.58661505162453 0.12459690396408 28.085 > 30 118 Si 0.96816867438442 0.58661505162453 0.12459690396408 28.085 > 30 119 Si 0.46816867438442 0.58661505162453 0.62459690396408 28.085 > 30 120 Si 0.96816867438442 0.58661505162453 0.62459690396408 28.085 > 30 121 Si 0.03183132561558 0.08661505162453 0.12540309603592 28.085 > 31 122 Si 0.53183132561558 0.08661505162453 0.12540309603592 28.085 > 31 123 Si 0.03183132561558 0.08661505162453 0.62540309603592 28.085 > 31 124 Si 0.53183132561558 0.08661505162453 0.62540309603592 28.085 > 31 125 Si 0.03183132561558 0.41338494837547 0.37540309603592 28.085 > 32 126 Si 0.53183132561558 0.41338494837547 0.37540309603592 28.085 > 32 127 Si 0.03183132561558 0.41338494837547 0.87540309603592 28.085 > 32 128 Si 0.53183132561558 0.41338494837547 0.87540309603592 28.085 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7422596 0.0000000 0.0068291 0.0000000 2.7001579 0.0000000 0.0068290 0.0000000 2.6906204 -------------------------- Born effective charges -------------------------- 1 Li 1.0217136 0.0222585 -0.0321944 -0.0266966 1.0340923 0.0300634 0.0123330 -0.0394269 0.9772424 2 Li 1.0217136 -0.0222585 -0.0321944 0.0266966 1.0340923 -0.0300634 0.0123330 0.0394269 0.9772424 3 Li 1.0217136 0.0222585 -0.0321944 -0.0266966 1.0340923 0.0300634 0.0123330 -0.0394269 0.9772424 4 Li 1.0217136 -0.0222585 -0.0321944 0.0266966 1.0340923 -0.0300634 0.0123330 0.0394269 0.9772424 5 Li 1.0573386 -0.0596805 0.0089340 -0.0117000 0.9270495 0.0244572 0.0081937 0.0324081 1.1094217 6 Li 1.0573386 0.0596805 0.0089340 0.0117000 0.9270495 -0.0244572 0.0081937 -0.0324081 1.1094217 7 Li 1.0573386 -0.0596805 0.0089340 -0.0117000 0.9270495 0.0244572 0.0081937 0.0324081 1.1094217 8 Li 1.0573386 0.0596805 0.0089340 0.0117000 0.9270495 -0.0244572 0.0081937 -0.0324081 1.1094217 9 O -1.4917251 0.1016205 -0.2140609 0.0757147 -1.6867605 0.3286411 -0.2304039 0.3557311 -1.8925913 10 O -1.4917251 0.1016205 -0.2140609 0.0757147 -1.6867605 0.3286411 -0.2304039 0.3557311 -1.8925913 11 O -1.4917251 -0.1016205 -0.2140609 -0.0757147 -1.6867605 -0.3286411 -0.2304039 -0.3557311 -1.8925913 12 O -2.2311801 0.0253201 -0.0596734 0.0151371 -1.3269644 -0.0027926 -0.0706343 0.0164302 -1.4463015 13 O -1.4917251 -0.1016205 -0.2140609 -0.0757147 -1.6867605 -0.3286411 -0.2304039 -0.3557311 -1.8925913 14 O -1.6570390 0.1255276 0.2688631 0.0831719 -1.5786194 -0.2268743 0.2558266 -0.2886126 -1.8494007 15 O -1.6570390 -0.1255276 0.2688631 -0.0831719 -1.5786194 0.2268743 0.2558266 0.2886126 -1.8494007 16 O -1.6570390 0.1255276 0.2688631 0.0831719 -1.5786194 -0.2268743 0.2558266 -0.2886126 -1.8494007 17 O -1.4848229 0.2546985 0.0219432 0.2494466 -2.0989215 -0.0565114 0.0087573 -0.0411629 -1.4791827 18 O -2.2311801 -0.0253201 -0.0596734 -0.0151371 -1.3269644 0.0027926 -0.0706343 -0.0164302 -1.4463015 19 O -2.2311801 0.0253201 -0.0596734 0.0151371 -1.3269644 -0.0027926 -0.0706343 0.0164302 -1.4463015 20 O -2.2311801 -0.0253201 -0.0596734 -0.0151371 -1.3269644 0.0027926 -0.0706343 -0.0164302 -1.4463015 21 O -1.4848229 -0.2546985 0.0219432 -0.2494466 -2.0989215 0.0565114 0.0087573 0.0411629 -1.4791827 22 O -1.4848229 -0.2546985 0.0219432 -0.2494466 -2.0989215 0.0565114 0.0087573 0.0411629 -1.4791827 23 O -1.4848229 0.2546985 0.0219432 0.2494466 -2.0989215 -0.0565114 0.0087573 -0.0411629 -1.4791827 24 O -1.6570390 -0.1255276 0.2688631 -0.0831719 -1.5786194 0.2268743 0.2558266 0.2886126 -1.8494007 25 Mg 1.9899837 0.0571053 0.0496555 -0.0509491 1.9820231 -0.0421844 -0.0330273 0.1204144 1.7814759 26 Mg 1.9899837 0.0571053 0.0496555 -0.0509491 1.9820231 -0.0421844 -0.0330273 0.1204144 1.7814759 27 Mg 1.9899837 -0.0571053 0.0496555 0.0509491 1.9820231 0.0421844 -0.0330273 -0.1204144 1.7814759 28 Mg 1.9899837 -0.0571053 0.0496555 0.0509491 1.9820231 0.0421844 -0.0330273 -0.1204144 1.7814759 29 Si 2.7957312 -0.0143645 -0.0434672 0.0316532 2.7481009 -0.0820470 0.0489549 -0.0600427 2.7993362 30 Si 2.7957312 0.0143645 -0.0434672 -0.0316532 2.7481009 0.0820470 0.0489549 0.0600427 2.7993362 31 Si 2.7957312 -0.0143645 -0.0434672 0.0316532 2.7481009 -0.0820470 0.0489549 -0.0600427 2.7993362 32 Si 2.7957312 0.0143645 -0.0434672 -0.0316532 2.7481009 0.0820470 0.0489549 0.0600427 2.7993362 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.436 Solver_block: 200 / 960 - Time: 1.276 Solver_block: 300 / 960 - Time: 1.265 Solver_block: 400 / 960 - Time: 1.269 Solver_block: 500 / 960 - Time: 1.265 Solver_block: 600 / 960 - Time: 1.267 Solver_block: 700 / 960 - Time: 1.265 Solver_block: 800 / 960 - Time: 1.262 Solver_block: 900 / 960 - Time: 1.264 Solver_block: 960 / 960 - Time: 0.851 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.758 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:54:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.983029080278675 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702768799999999 0.000000000000000 c -4.920316836882393 0.000000000000000 6.280639427113044 Atomic positions (fractional): 1 Li 0.31097724431734 0.16217583887172 0.00288198146462 6.941 2 Li 0.68902275568266 0.66217583887172 0.49711801853538 6.941 3 Li 0.68902275568266 0.83782416112828 0.99711801853538 6.941 4 Li 0.31097724431734 0.33782416112828 0.50288198146462 6.941 5 Li 0.46615210342255 0.07462334836406 0.76228772287154 6.941 6 Li 0.53384789657745 0.57462334836406 0.73771227712846 6.941 7 Li 0.53384789657745 0.92537665163594 0.23771227712846 6.941 8 Li 0.46615210342255 0.42537665163594 0.26228772287154 6.941 9 O 0.25646507664074 0.83928450278484 0.96177902760114 15.999 10 O 0.74353492335926 0.16071549721516 0.03822097239885 15.999 11 O 0.25646507664074 0.66071549721516 0.46177902760114 15.999 12 O 0.39498249696019 0.41016710807857 0.75172971358143 15.999 13 O 0.74353492335926 0.33928450278484 0.53822097239886 15.999 14 O 0.17314930503659 0.15966609980771 0.46758514948489 15.999 15 O 0.82685069496341 0.65966609980771 0.03241485051511 15.999 16 O 0.82685069496341 0.84033390019229 0.53241485051511 15.999 17 O 0.95438183582512 0.55820015878287 0.74837024357665 15.999 18 O 0.60501750303982 0.91016710807857 0.74827028641857 15.999 19 O 0.60501750303982 0.58983289192143 0.24827028641857 15.999 20 O 0.39498249696019 0.08983289192143 0.25172971358143 15.999 21 O 0.95438183582512 0.94179984121713 0.24837024357665 15.999 22 O 0.04561816417488 0.05820015878287 0.75162975642335 15.999 23 O 0.04561816417488 0.44179984121713 0.25162975642335 15.999 24 O 0.17314930503659 0.34033390019229 0.96758514948489 15.999 25 Mg 0.80800290744517 0.16504407907146 0.50029325616121 24.305 26 Mg 0.19199709255483 0.83495592092854 0.49970674383879 24.305 27 Mg 0.80800290744517 0.33495592092854 0.00029325616121 24.305 28 Mg 0.19199709255483 0.66504407907146 0.99970674383879 24.305 29 Si 0.93633734876884 0.91338494837547 0.74919380792816 28.085 30 Si 0.93633734876884 0.58661505162453 0.24919380792816 28.085 31 Si 0.06366265123116 0.08661505162453 0.25080619207184 28.085 32 Si 0.06366265123116 0.41338494837547 0.75080619207184 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.966058160557351 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702768799999999 0.000000000000000 c -9.840633673764787 0.000000000000000 12.561278854226089 Atomic positions (fractional): 1 Li 0.15548862215867 0.16217583887172 0.00144099073231 6.941 > 1 2 Li 0.65548862215867 0.16217583887172 0.00144099073231 6.941 > 1 3 Li 0.15548862215867 0.16217583887172 0.50144099073231 6.941 > 1 4 Li 0.65548862215867 0.16217583887172 0.50144099073231 6.941 > 1 5 Li 0.34451137784133 0.66217583887172 0.24855900926769 6.941 > 5 6 Li 0.84451137784133 0.66217583887172 0.24855900926769 6.941 > 5 7 Li 0.34451137784133 0.66217583887172 0.74855900926769 6.941 > 5 8 Li 0.84451137784133 0.66217583887172 0.74855900926769 6.941 > 5 9 Li 0.34451137784133 0.83782416112828 0.49855900926769 6.941 > 9 10 Li 0.84451137784133 0.83782416112828 0.49855900926769 6.941 > 9 11 Li 0.34451137784133 0.83782416112828 0.99855900926769 6.941 > 9 12 Li 0.84451137784133 0.83782416112828 0.99855900926769 6.941 > 9 13 Li 0.15548862215867 0.33782416112828 0.25144099073231 6.941 > 13 14 Li 0.65548862215867 0.33782416112828 0.25144099073231 6.941 > 13 15 Li 0.15548862215867 0.33782416112828 0.75144099073231 6.941 > 13 16 Li 0.65548862215867 0.33782416112828 0.75144099073231 6.941 > 13 17 Li 0.23307605171128 0.07462334836406 0.38114386143577 6.941 > 17 18 Li 0.73307605171128 0.07462334836406 0.38114386143577 6.941 > 17 19 Li 0.23307605171128 0.07462334836406 0.88114386143577 6.941 > 17 20 Li 0.73307605171128 0.07462334836406 0.88114386143577 6.941 > 17 21 Li 0.26692394828872 0.57462334836406 0.36885613856423 6.941 > 21 22 Li 0.76692394828872 0.57462334836406 0.36885613856423 6.941 > 21 23 Li 0.26692394828872 0.57462334836406 0.86885613856423 6.941 > 21 24 Li 0.76692394828872 0.57462334836406 0.86885613856423 6.941 > 21 25 Li 0.26692394828872 0.92537665163594 0.11885613856423 6.941 > 25 26 Li 0.76692394828872 0.92537665163594 0.11885613856423 6.941 > 25 27 Li 0.26692394828872 0.92537665163594 0.61885613856423 6.941 > 25 28 Li 0.76692394828872 0.92537665163594 0.61885613856423 6.941 > 25 29 Li 0.23307605171128 0.42537665163594 0.13114386143577 6.941 > 29 30 Li 0.73307605171128 0.42537665163594 0.13114386143577 6.941 > 29 31 Li 0.23307605171128 0.42537665163594 0.63114386143577 6.941 > 29 32 Li 0.73307605171128 0.42537665163594 0.63114386143577 6.941 > 29 33 O 0.12823253832037 0.83928450278484 0.48088951380057 15.999 > 33 34 O 0.62823253832037 0.83928450278484 0.48088951380057 15.999 > 33 35 O 0.12823253832037 0.83928450278484 0.98088951380057 15.999 > 33 36 O 0.62823253832037 0.83928450278484 0.98088951380057 15.999 > 33 37 O 0.37176746167963 0.16071549721516 0.01911048619943 15.999 > 37 38 O 0.87176746167963 0.16071549721516 0.01911048619943 15.999 > 37 39 O 0.37176746167963 0.16071549721516 0.51911048619943 15.999 > 37 40 O 0.87176746167963 0.16071549721516 0.51911048619943 15.999 > 37 41 O 0.12823253832037 0.66071549721516 0.23088951380057 15.999 > 41 42 O 0.62823253832037 0.66071549721516 0.23088951380057 15.999 > 41 43 O 0.12823253832037 0.66071549721516 0.73088951380057 15.999 > 41 44 O 0.62823253832037 0.66071549721516 0.73088951380057 15.999 > 41 45 O 0.19749124848009 0.41016710807857 0.37586485679071 15.999 > 45 46 O 0.69749124848009 0.41016710807857 0.37586485679071 15.999 > 45 47 O 0.19749124848009 0.41016710807857 0.87586485679071 15.999 > 45 48 O 0.69749124848009 0.41016710807857 0.87586485679071 15.999 > 45 49 O 0.37176746167963 0.33928450278484 0.26911048619943 15.999 > 49 50 O 0.87176746167963 0.33928450278484 0.26911048619943 15.999 > 49 51 O 0.37176746167963 0.33928450278484 0.76911048619943 15.999 > 49 52 O 0.87176746167963 0.33928450278484 0.76911048619943 15.999 > 49 53 O 0.08657465251829 0.15966609980771 0.23379257474245 15.999 > 53 54 O 0.58657465251829 0.15966609980771 0.23379257474245 15.999 > 53 55 O 0.08657465251829 0.15966609980771 0.73379257474245 15.999 > 53 56 O 0.58657465251829 0.15966609980771 0.73379257474245 15.999 > 53 57 O 0.41342534748171 0.65966609980771 0.01620742525755 15.999 > 57 58 O 0.91342534748171 0.65966609980771 0.01620742525755 15.999 > 57 59 O 0.41342534748171 0.65966609980771 0.51620742525755 15.999 > 57 60 O 0.91342534748171 0.65966609980771 0.51620742525755 15.999 > 57 61 O 0.41342534748171 0.84033390019229 0.26620742525755 15.999 > 61 62 O 0.91342534748171 0.84033390019229 0.26620742525755 15.999 > 61 63 O 0.41342534748171 0.84033390019229 0.76620742525755 15.999 > 61 64 O 0.91342534748171 0.84033390019229 0.76620742525755 15.999 > 61 65 O 0.47719091791256 0.55820015878287 0.37418512178833 15.999 > 65 66 O 0.97719091791256 0.55820015878287 0.37418512178833 15.999 > 65 67 O 0.47719091791256 0.55820015878287 0.87418512178833 15.999 > 65 68 O 0.97719091791256 0.55820015878287 0.87418512178833 15.999 > 65 69 O 0.30250875151991 0.91016710807857 0.37413514320929 15.999 > 69 70 O 0.80250875151991 0.91016710807857 0.37413514320929 15.999 > 69 71 O 0.30250875151991 0.91016710807857 0.87413514320929 15.999 > 69 72 O 0.80250875151991 0.91016710807857 0.87413514320929 15.999 > 69 73 O 0.30250875151991 0.58983289192143 0.12413514320928 15.999 > 73 74 O 0.80250875151991 0.58983289192143 0.12413514320928 15.999 > 73 75 O 0.30250875151991 0.58983289192143 0.62413514320928 15.999 > 73 76 O 0.80250875151991 0.58983289192143 0.62413514320928 15.999 > 73 77 O 0.19749124848009 0.08983289192143 0.12586485679071 15.999 > 77 78 O 0.69749124848009 0.08983289192143 0.12586485679071 15.999 > 77 79 O 0.19749124848009 0.08983289192143 0.62586485679072 15.999 > 77 80 O 0.69749124848009 0.08983289192143 0.62586485679072 15.999 > 77 81 O 0.47719091791256 0.94179984121713 0.12418512178833 15.999 > 81 82 O 0.97719091791256 0.94179984121713 0.12418512178833 15.999 > 81 83 O 0.47719091791256 0.94179984121713 0.62418512178833 15.999 > 81 84 O 0.97719091791256 0.94179984121713 0.62418512178833 15.999 > 81 85 O 0.02280908208744 0.05820015878287 0.37581487821167 15.999 > 85 86 O 0.52280908208744 0.05820015878287 0.37581487821167 15.999 > 85 87 O 0.02280908208744 0.05820015878287 0.87581487821167 15.999 > 85 88 O 0.52280908208744 0.05820015878287 0.87581487821167 15.999 > 85 89 O 0.02280908208744 0.44179984121713 0.12581487821167 15.999 > 89 90 O 0.52280908208744 0.44179984121713 0.12581487821167 15.999 > 89 91 O 0.02280908208744 0.44179984121713 0.62581487821167 15.999 > 89 92 O 0.52280908208744 0.44179984121713 0.62581487821167 15.999 > 89 93 O 0.08657465251829 0.34033390019229 0.48379257474245 15.999 > 93 94 O 0.58657465251829 0.34033390019229 0.48379257474245 15.999 > 93 95 O 0.08657465251829 0.34033390019229 0.98379257474245 15.999 > 93 96 O 0.58657465251829 0.34033390019229 0.98379257474245 15.999 > 93 97 Mg 0.40400145372258 0.16504407907146 0.25014662808060 24.305 > 97 98 Mg 0.90400145372258 0.16504407907146 0.25014662808060 24.305 > 97 99 Mg 0.40400145372258 0.16504407907146 0.75014662808060 24.305 > 97 100 Mg 0.90400145372258 0.16504407907146 0.75014662808060 24.305 > 97 101 Mg 0.09599854627742 0.83495592092854 0.24985337191940 24.305 > 101 102 Mg 0.59599854627742 0.83495592092854 0.24985337191940 24.305 > 101 103 Mg 0.09599854627742 0.83495592092854 0.74985337191940 24.305 > 101 104 Mg 0.59599854627742 0.83495592092854 0.74985337191940 24.305 > 101 105 Mg 0.40400145372258 0.33495592092854 0.00014662808060 24.305 > 105 106 Mg 0.90400145372258 0.33495592092854 0.00014662808060 24.305 > 105 107 Mg 0.40400145372258 0.33495592092854 0.50014662808060 24.305 > 105 108 Mg 0.90400145372258 0.33495592092854 0.50014662808060 24.305 > 105 109 Mg 0.09599854627742 0.66504407907146 0.49985337191940 24.305 > 109 110 Mg 0.59599854627742 0.66504407907146 0.49985337191940 24.305 > 109 111 Mg 0.09599854627742 0.66504407907146 0.99985337191940 24.305 > 109 112 Mg 0.59599854627742 0.66504407907146 0.99985337191940 24.305 > 109 113 Si 0.46816867438442 0.91338494837547 0.37459690396408 28.085 > 113 114 Si 0.96816867438442 0.91338494837547 0.37459690396408 28.085 > 113 115 Si 0.46816867438442 0.91338494837547 0.87459690396408 28.085 > 113 116 Si 0.96816867438442 0.91338494837547 0.87459690396408 28.085 > 113 117 Si 0.46816867438442 0.58661505162453 0.12459690396408 28.085 > 117 118 Si 0.96816867438442 0.58661505162453 0.12459690396408 28.085 > 117 119 Si 0.46816867438442 0.58661505162453 0.62459690396408 28.085 > 117 120 Si 0.96816867438442 0.58661505162453 0.62459690396408 28.085 > 117 121 Si 0.03183132561558 0.08661505162453 0.12540309603592 28.085 > 121 122 Si 0.53183132561558 0.08661505162453 0.12540309603592 28.085 > 121 123 Si 0.03183132561558 0.08661505162453 0.62540309603592 28.085 > 121 124 Si 0.53183132561558 0.08661505162453 0.62540309603592 28.085 > 121 125 Si 0.03183132561558 0.41338494837547 0.37540309603592 28.085 > 125 126 Si 0.53183132561558 0.41338494837547 0.37540309603592 28.085 > 125 127 Si 0.03183132561558 0.41338494837547 0.87540309603592 28.085 > 125 128 Si 0.53183132561558 0.41338494837547 0.87540309603592 28.085 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7422596 0.0000000 0.0068291 0.0000000 2.7001579 0.0000000 0.0068290 0.0000000 2.6906204 -------------------------- Born effective charges -------------------------- 1 Li 1.0217136 0.0222585 -0.0321944 -0.0266966 1.0340923 0.0300634 0.0123330 -0.0394269 0.9772424 2 Li 1.0217136 -0.0222585 -0.0321944 0.0266966 1.0340923 -0.0300634 0.0123330 0.0394269 0.9772424 3 Li 1.0217136 0.0222585 -0.0321944 -0.0266966 1.0340923 0.0300634 0.0123330 -0.0394269 0.9772424 4 Li 1.0217136 -0.0222585 -0.0321944 0.0266966 1.0340923 -0.0300634 0.0123330 0.0394269 0.9772424 5 Li 1.0573386 -0.0596805 0.0089340 -0.0117000 0.9270495 0.0244572 0.0081937 0.0324081 1.1094217 6 Li 1.0573386 0.0596805 0.0089340 0.0117000 0.9270495 -0.0244572 0.0081937 -0.0324081 1.1094217 7 Li 1.0573386 -0.0596805 0.0089340 -0.0117000 0.9270495 0.0244572 0.0081937 0.0324081 1.1094217 8 Li 1.0573386 0.0596805 0.0089340 0.0117000 0.9270495 -0.0244572 0.0081937 -0.0324081 1.1094217 9 O -1.4917251 0.1016205 -0.2140609 0.0757147 -1.6867605 0.3286411 -0.2304039 0.3557311 -1.8925913 10 O -1.4917251 0.1016205 -0.2140609 0.0757147 -1.6867605 0.3286411 -0.2304039 0.3557311 -1.8925913 11 O -1.4917251 -0.1016205 -0.2140609 -0.0757147 -1.6867605 -0.3286411 -0.2304039 -0.3557311 -1.8925913 12 O -2.2311801 0.0253201 -0.0596734 0.0151371 -1.3269644 -0.0027926 -0.0706343 0.0164302 -1.4463015 13 O -1.4917251 -0.1016205 -0.2140609 -0.0757147 -1.6867605 -0.3286411 -0.2304039 -0.3557311 -1.8925913 14 O -1.6570390 0.1255276 0.2688631 0.0831719 -1.5786194 -0.2268743 0.2558266 -0.2886126 -1.8494007 15 O -1.6570390 -0.1255276 0.2688631 -0.0831719 -1.5786194 0.2268743 0.2558266 0.2886126 -1.8494007 16 O -1.6570390 0.1255276 0.2688631 0.0831719 -1.5786194 -0.2268743 0.2558266 -0.2886126 -1.8494007 17 O -1.4848229 0.2546985 0.0219432 0.2494466 -2.0989215 -0.0565114 0.0087573 -0.0411629 -1.4791827 18 O -2.2311801 -0.0253201 -0.0596734 -0.0151371 -1.3269644 0.0027926 -0.0706343 -0.0164302 -1.4463015 19 O -2.2311801 0.0253201 -0.0596734 0.0151371 -1.3269644 -0.0027926 -0.0706343 0.0164302 -1.4463015 20 O -2.2311801 -0.0253201 -0.0596734 -0.0151371 -1.3269644 0.0027926 -0.0706343 -0.0164302 -1.4463015 21 O -1.4848229 -0.2546985 0.0219432 -0.2494466 -2.0989215 0.0565114 0.0087573 0.0411629 -1.4791827 22 O -1.4848229 -0.2546985 0.0219432 -0.2494466 -2.0989215 0.0565114 0.0087573 0.0411629 -1.4791827 23 O -1.4848229 0.2546985 0.0219432 0.2494466 -2.0989215 -0.0565114 0.0087573 -0.0411629 -1.4791827 24 O -1.6570390 -0.1255276 0.2688631 -0.0831719 -1.5786194 0.2268743 0.2558266 0.2886126 -1.8494007 25 Mg 1.9899837 0.0571053 0.0496555 -0.0509491 1.9820231 -0.0421844 -0.0330273 0.1204144 1.7814759 26 Mg 1.9899837 0.0571053 0.0496555 -0.0509491 1.9820231 -0.0421844 -0.0330273 0.1204144 1.7814759 27 Mg 1.9899837 -0.0571053 0.0496555 0.0509491 1.9820231 0.0421844 -0.0330273 -0.1204144 1.7814759 28 Mg 1.9899837 -0.0571053 0.0496555 0.0509491 1.9820231 0.0421844 -0.0330273 -0.1204144 1.7814759 29 Si 2.7957312 -0.0143645 -0.0434672 0.0316532 2.7481009 -0.0820470 0.0489549 -0.0600427 2.7993362 30 Si 2.7957312 0.0143645 -0.0434672 -0.0316532 2.7481009 0.0820470 0.0489549 0.0600427 2.7993362 31 Si 2.7957312 -0.0143645 -0.0434672 0.0316532 2.7481009 -0.0820470 0.0489549 -0.0600427 2.7993362 32 Si 2.7957312 0.0143645 -0.0434672 -0.0316532 2.7481009 0.0820470 0.0489549 0.0600427 2.7993362 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0062 0.0000 0.0079] [ 0.0062 0.0000 -0.0079] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0062 0.0000 0.0079] [ 0.0062 0.0000 -0.0079] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0062 0.0000 0.0079] [ 0.0062 0.0000 -0.0079] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0062 0.0000 0.0079] [ 0.0062 0.0000 -0.0079] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0062 0.0000 0.0079] [ 0.0062 0.0000 -0.0079] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0062 0.0000 0.0079] [ 0.0062 0.0000 -0.0079] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0062 0.0000 0.0079] [ 0.0062 0.0000 -0.0079] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0062 0.0000 0.0079] [ 0.0062 0.0000 -0.0079] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:55:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:55:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.983029080278675 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702768799999999 0.000000000000000 c -4.920316836882393 0.000000000000000 6.280639427113044 Atomic positions (fractional): 1 Li 0.31097724431734 0.16217583887172 0.00288198146462 6.941 2 Li 0.68902275568266 0.66217583887172 0.49711801853538 6.941 3 Li 0.68902275568266 0.83782416112828 0.99711801853538 6.941 4 Li 0.31097724431734 0.33782416112828 0.50288198146462 6.941 5 Li 0.46615210342255 0.07462334836406 0.76228772287154 6.941 6 Li 0.53384789657745 0.57462334836406 0.73771227712846 6.941 7 Li 0.53384789657745 0.92537665163594 0.23771227712846 6.941 8 Li 0.46615210342255 0.42537665163594 0.26228772287154 6.941 9 O 0.25646507664074 0.83928450278484 0.96177902760114 15.999 10 O 0.74353492335926 0.16071549721516 0.03822097239885 15.999 11 O 0.25646507664074 0.66071549721516 0.46177902760114 15.999 12 O 0.39498249696019 0.41016710807857 0.75172971358143 15.999 13 O 0.74353492335926 0.33928450278484 0.53822097239886 15.999 14 O 0.17314930503659 0.15966609980771 0.46758514948489 15.999 15 O 0.82685069496341 0.65966609980771 0.03241485051511 15.999 16 O 0.82685069496341 0.84033390019229 0.53241485051511 15.999 17 O 0.95438183582512 0.55820015878287 0.74837024357665 15.999 18 O 0.60501750303982 0.91016710807857 0.74827028641857 15.999 19 O 0.60501750303982 0.58983289192143 0.24827028641857 15.999 20 O 0.39498249696019 0.08983289192143 0.25172971358143 15.999 21 O 0.95438183582512 0.94179984121713 0.24837024357665 15.999 22 O 0.04561816417488 0.05820015878287 0.75162975642335 15.999 23 O 0.04561816417488 0.44179984121713 0.25162975642335 15.999 24 O 0.17314930503659 0.34033390019229 0.96758514948489 15.999 25 Mg 0.80800290744517 0.16504407907146 0.50029325616121 24.305 26 Mg 0.19199709255483 0.83495592092854 0.49970674383879 24.305 27 Mg 0.80800290744517 0.33495592092854 0.00029325616121 24.305 28 Mg 0.19199709255483 0.66504407907146 0.99970674383879 24.305 29 Si 0.93633734876884 0.91338494837547 0.74919380792816 28.085 30 Si 0.93633734876884 0.58661505162453 0.24919380792816 28.085 31 Si 0.06366265123116 0.08661505162453 0.25080619207184 28.085 32 Si 0.06366265123116 0.41338494837547 0.75080619207184 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.966058160557351 0.000000000000000 0.000000000000000 b 0.000000000000000 10.702768799999999 0.000000000000000 c -9.840633673764787 0.000000000000000 12.561278854226089 Atomic positions (fractional): 1 Li 0.15548862215867 0.16217583887172 0.00144099073231 6.941 > 1 2 Li 0.65548862215867 0.16217583887172 0.00144099073231 6.941 > 1 3 Li 0.15548862215867 0.16217583887172 0.50144099073231 6.941 > 1 4 Li 0.65548862215867 0.16217583887172 0.50144099073231 6.941 > 1 5 Li 0.34451137784133 0.66217583887172 0.24855900926769 6.941 > 5 6 Li 0.84451137784133 0.66217583887172 0.24855900926769 6.941 > 5 7 Li 0.34451137784133 0.66217583887172 0.74855900926769 6.941 > 5 8 Li 0.84451137784133 0.66217583887172 0.74855900926769 6.941 > 5 9 Li 0.34451137784133 0.83782416112828 0.49855900926769 6.941 > 9 10 Li 0.84451137784133 0.83782416112828 0.49855900926769 6.941 > 9 11 Li 0.34451137784133 0.83782416112828 0.99855900926769 6.941 > 9 12 Li 0.84451137784133 0.83782416112828 0.99855900926769 6.941 > 9 13 Li 0.15548862215867 0.33782416112828 0.25144099073231 6.941 > 13 14 Li 0.65548862215867 0.33782416112828 0.25144099073231 6.941 > 13 15 Li 0.15548862215867 0.33782416112828 0.75144099073231 6.941 > 13 16 Li 0.65548862215867 0.33782416112828 0.75144099073231 6.941 > 13 17 Li 0.23307605171128 0.07462334836406 0.38114386143577 6.941 > 17 18 Li 0.73307605171128 0.07462334836406 0.38114386143577 6.941 > 17 19 Li 0.23307605171128 0.07462334836406 0.88114386143577 6.941 > 17 20 Li 0.73307605171128 0.07462334836406 0.88114386143577 6.941 > 17 21 Li 0.26692394828872 0.57462334836406 0.36885613856423 6.941 > 21 22 Li 0.76692394828872 0.57462334836406 0.36885613856423 6.941 > 21 23 Li 0.26692394828872 0.57462334836406 0.86885613856423 6.941 > 21 24 Li 0.76692394828872 0.57462334836406 0.86885613856423 6.941 > 21 25 Li 0.26692394828872 0.92537665163594 0.11885613856423 6.941 > 25 26 Li 0.76692394828872 0.92537665163594 0.11885613856423 6.941 > 25 27 Li 0.26692394828872 0.92537665163594 0.61885613856423 6.941 > 25 28 Li 0.76692394828872 0.92537665163594 0.61885613856423 6.941 > 25 29 Li 0.23307605171128 0.42537665163594 0.13114386143577 6.941 > 29 30 Li 0.73307605171128 0.42537665163594 0.13114386143577 6.941 > 29 31 Li 0.23307605171128 0.42537665163594 0.63114386143577 6.941 > 29 32 Li 0.73307605171128 0.42537665163594 0.63114386143577 6.941 > 29 33 O 0.12823253832037 0.83928450278484 0.48088951380057 15.999 > 33 34 O 0.62823253832037 0.83928450278484 0.48088951380057 15.999 > 33 35 O 0.12823253832037 0.83928450278484 0.98088951380057 15.999 > 33 36 O 0.62823253832037 0.83928450278484 0.98088951380057 15.999 > 33 37 O 0.37176746167963 0.16071549721516 0.01911048619943 15.999 > 37 38 O 0.87176746167963 0.16071549721516 0.01911048619943 15.999 > 37 39 O 0.37176746167963 0.16071549721516 0.51911048619943 15.999 > 37 40 O 0.87176746167963 0.16071549721516 0.51911048619943 15.999 > 37 41 O 0.12823253832037 0.66071549721516 0.23088951380057 15.999 > 41 42 O 0.62823253832037 0.66071549721516 0.23088951380057 15.999 > 41 43 O 0.12823253832037 0.66071549721516 0.73088951380057 15.999 > 41 44 O 0.62823253832037 0.66071549721516 0.73088951380057 15.999 > 41 45 O 0.19749124848009 0.41016710807857 0.37586485679071 15.999 > 45 46 O 0.69749124848009 0.41016710807857 0.37586485679071 15.999 > 45 47 O 0.19749124848009 0.41016710807857 0.87586485679071 15.999 > 45 48 O 0.69749124848009 0.41016710807857 0.87586485679071 15.999 > 45 49 O 0.37176746167963 0.33928450278484 0.26911048619943 15.999 > 49 50 O 0.87176746167963 0.33928450278484 0.26911048619943 15.999 > 49 51 O 0.37176746167963 0.33928450278484 0.76911048619943 15.999 > 49 52 O 0.87176746167963 0.33928450278484 0.76911048619943 15.999 > 49 53 O 0.08657465251829 0.15966609980771 0.23379257474245 15.999 > 53 54 O 0.58657465251829 0.15966609980771 0.23379257474245 15.999 > 53 55 O 0.08657465251829 0.15966609980771 0.73379257474245 15.999 > 53 56 O 0.58657465251829 0.15966609980771 0.73379257474245 15.999 > 53 57 O 0.41342534748171 0.65966609980771 0.01620742525755 15.999 > 57 58 O 0.91342534748171 0.65966609980771 0.01620742525755 15.999 > 57 59 O 0.41342534748171 0.65966609980771 0.51620742525755 15.999 > 57 60 O 0.91342534748171 0.65966609980771 0.51620742525755 15.999 > 57 61 O 0.41342534748171 0.84033390019229 0.26620742525755 15.999 > 61 62 O 0.91342534748171 0.84033390019229 0.26620742525755 15.999 > 61 63 O 0.41342534748171 0.84033390019229 0.76620742525755 15.999 > 61 64 O 0.91342534748171 0.84033390019229 0.76620742525755 15.999 > 61 65 O 0.47719091791256 0.55820015878287 0.37418512178833 15.999 > 65 66 O 0.97719091791256 0.55820015878287 0.37418512178833 15.999 > 65 67 O 0.47719091791256 0.55820015878287 0.87418512178833 15.999 > 65 68 O 0.97719091791256 0.55820015878287 0.87418512178833 15.999 > 65 69 O 0.30250875151991 0.91016710807857 0.37413514320929 15.999 > 69 70 O 0.80250875151991 0.91016710807857 0.37413514320929 15.999 > 69 71 O 0.30250875151991 0.91016710807857 0.87413514320929 15.999 > 69 72 O 0.80250875151991 0.91016710807857 0.87413514320929 15.999 > 69 73 O 0.30250875151991 0.58983289192143 0.12413514320928 15.999 > 73 74 O 0.80250875151991 0.58983289192143 0.12413514320928 15.999 > 73 75 O 0.30250875151991 0.58983289192143 0.62413514320928 15.999 > 73 76 O 0.80250875151991 0.58983289192143 0.62413514320928 15.999 > 73 77 O 0.19749124848009 0.08983289192143 0.12586485679071 15.999 > 77 78 O 0.69749124848009 0.08983289192143 0.12586485679071 15.999 > 77 79 O 0.19749124848009 0.08983289192143 0.62586485679072 15.999 > 77 80 O 0.69749124848009 0.08983289192143 0.62586485679072 15.999 > 77 81 O 0.47719091791256 0.94179984121713 0.12418512178833 15.999 > 81 82 O 0.97719091791256 0.94179984121713 0.12418512178833 15.999 > 81 83 O 0.47719091791256 0.94179984121713 0.62418512178833 15.999 > 81 84 O 0.97719091791256 0.94179984121713 0.62418512178833 15.999 > 81 85 O 0.02280908208744 0.05820015878287 0.37581487821167 15.999 > 85 86 O 0.52280908208744 0.05820015878287 0.37581487821167 15.999 > 85 87 O 0.02280908208744 0.05820015878287 0.87581487821167 15.999 > 85 88 O 0.52280908208744 0.05820015878287 0.87581487821167 15.999 > 85 89 O 0.02280908208744 0.44179984121713 0.12581487821167 15.999 > 89 90 O 0.52280908208744 0.44179984121713 0.12581487821167 15.999 > 89 91 O 0.02280908208744 0.44179984121713 0.62581487821167 15.999 > 89 92 O 0.52280908208744 0.44179984121713 0.62581487821167 15.999 > 89 93 O 0.08657465251829 0.34033390019229 0.48379257474245 15.999 > 93 94 O 0.58657465251829 0.34033390019229 0.48379257474245 15.999 > 93 95 O 0.08657465251829 0.34033390019229 0.98379257474245 15.999 > 93 96 O 0.58657465251829 0.34033390019229 0.98379257474245 15.999 > 93 97 Mg 0.40400145372258 0.16504407907146 0.25014662808060 24.305 > 97 98 Mg 0.90400145372258 0.16504407907146 0.25014662808060 24.305 > 97 99 Mg 0.40400145372258 0.16504407907146 0.75014662808060 24.305 > 97 100 Mg 0.90400145372258 0.16504407907146 0.75014662808060 24.305 > 97 101 Mg 0.09599854627742 0.83495592092854 0.24985337191940 24.305 > 101 102 Mg 0.59599854627742 0.83495592092854 0.24985337191940 24.305 > 101 103 Mg 0.09599854627742 0.83495592092854 0.74985337191940 24.305 > 101 104 Mg 0.59599854627742 0.83495592092854 0.74985337191940 24.305 > 101 105 Mg 0.40400145372258 0.33495592092854 0.00014662808060 24.305 > 105 106 Mg 0.90400145372258 0.33495592092854 0.00014662808060 24.305 > 105 107 Mg 0.40400145372258 0.33495592092854 0.50014662808060 24.305 > 105 108 Mg 0.90400145372258 0.33495592092854 0.50014662808060 24.305 > 105 109 Mg 0.09599854627742 0.66504407907146 0.49985337191940 24.305 > 109 110 Mg 0.59599854627742 0.66504407907146 0.49985337191940 24.305 > 109 111 Mg 0.09599854627742 0.66504407907146 0.99985337191940 24.305 > 109 112 Mg 0.59599854627742 0.66504407907146 0.99985337191940 24.305 > 109 113 Si 0.46816867438442 0.91338494837547 0.37459690396408 28.085 > 113 114 Si 0.96816867438442 0.91338494837547 0.37459690396408 28.085 > 113 115 Si 0.46816867438442 0.91338494837547 0.87459690396408 28.085 > 113 116 Si 0.96816867438442 0.91338494837547 0.87459690396408 28.085 > 113 117 Si 0.46816867438442 0.58661505162453 0.12459690396408 28.085 > 117 118 Si 0.96816867438442 0.58661505162453 0.12459690396408 28.085 > 117 119 Si 0.46816867438442 0.58661505162453 0.62459690396408 28.085 > 117 120 Si 0.96816867438442 0.58661505162453 0.62459690396408 28.085 > 117 121 Si 0.03183132561558 0.08661505162453 0.12540309603592 28.085 > 121 122 Si 0.53183132561558 0.08661505162453 0.12540309603592 28.085 > 121 123 Si 0.03183132561558 0.08661505162453 0.62540309603592 28.085 > 121 124 Si 0.53183132561558 0.08661505162453 0.62540309603592 28.085 > 121 125 Si 0.03183132561558 0.41338494837547 0.37540309603592 28.085 > 125 126 Si 0.53183132561558 0.41338494837547 0.37540309603592 28.085 > 125 127 Si 0.03183132561558 0.41338494837547 0.87540309603592 28.085 > 125 128 Si 0.53183132561558 0.41338494837547 0.87540309603592 28.085 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7422596 0.0000000 0.0068291 0.0000000 2.7001579 0.0000000 0.0068290 0.0000000 2.6906204 -------------------------- Born effective charges -------------------------- 1 Li 1.0217136 0.0222585 -0.0321944 -0.0266966 1.0340923 0.0300634 0.0123330 -0.0394269 0.9772424 2 Li 1.0217136 -0.0222585 -0.0321944 0.0266966 1.0340923 -0.0300634 0.0123330 0.0394269 0.9772424 3 Li 1.0217136 0.0222585 -0.0321944 -0.0266966 1.0340923 0.0300634 0.0123330 -0.0394269 0.9772424 4 Li 1.0217136 -0.0222585 -0.0321944 0.0266966 1.0340923 -0.0300634 0.0123330 0.0394269 0.9772424 5 Li 1.0573386 -0.0596805 0.0089340 -0.0117000 0.9270495 0.0244572 0.0081937 0.0324081 1.1094217 6 Li 1.0573386 0.0596805 0.0089340 0.0117000 0.9270495 -0.0244572 0.0081937 -0.0324081 1.1094217 7 Li 1.0573386 -0.0596805 0.0089340 -0.0117000 0.9270495 0.0244572 0.0081937 0.0324081 1.1094217 8 Li 1.0573386 0.0596805 0.0089340 0.0117000 0.9270495 -0.0244572 0.0081937 -0.0324081 1.1094217 9 O -1.4917251 0.1016205 -0.2140609 0.0757147 -1.6867605 0.3286411 -0.2304039 0.3557311 -1.8925913 10 O -1.4917251 0.1016205 -0.2140609 0.0757147 -1.6867605 0.3286411 -0.2304039 0.3557311 -1.8925913 11 O -1.4917251 -0.1016205 -0.2140609 -0.0757147 -1.6867605 -0.3286411 -0.2304039 -0.3557311 -1.8925913 12 O -2.2311801 0.0253201 -0.0596734 0.0151371 -1.3269644 -0.0027926 -0.0706343 0.0164302 -1.4463015 13 O -1.4917251 -0.1016205 -0.2140609 -0.0757147 -1.6867605 -0.3286411 -0.2304039 -0.3557311 -1.8925913 14 O -1.6570390 0.1255276 0.2688631 0.0831719 -1.5786194 -0.2268743 0.2558266 -0.2886126 -1.8494007 15 O -1.6570390 -0.1255276 0.2688631 -0.0831719 -1.5786194 0.2268743 0.2558266 0.2886126 -1.8494007 16 O -1.6570390 0.1255276 0.2688631 0.0831719 -1.5786194 -0.2268743 0.2558266 -0.2886126 -1.8494007 17 O -1.4848229 0.2546985 0.0219432 0.2494466 -2.0989215 -0.0565114 0.0087573 -0.0411629 -1.4791827 18 O -2.2311801 -0.0253201 -0.0596734 -0.0151371 -1.3269644 0.0027926 -0.0706343 -0.0164302 -1.4463015 19 O -2.2311801 0.0253201 -0.0596734 0.0151371 -1.3269644 -0.0027926 -0.0706343 0.0164302 -1.4463015 20 O -2.2311801 -0.0253201 -0.0596734 -0.0151371 -1.3269644 0.0027926 -0.0706343 -0.0164302 -1.4463015 21 O -1.4848229 -0.2546985 0.0219432 -0.2494466 -2.0989215 0.0565114 0.0087573 0.0411629 -1.4791827 22 O -1.4848229 -0.2546985 0.0219432 -0.2494466 -2.0989215 0.0565114 0.0087573 0.0411629 -1.4791827 23 O -1.4848229 0.2546985 0.0219432 0.2494466 -2.0989215 -0.0565114 0.0087573 -0.0411629 -1.4791827 24 O -1.6570390 -0.1255276 0.2688631 -0.0831719 -1.5786194 0.2268743 0.2558266 0.2886126 -1.8494007 25 Mg 1.9899837 0.0571053 0.0496555 -0.0509491 1.9820231 -0.0421844 -0.0330273 0.1204144 1.7814759 26 Mg 1.9899837 0.0571053 0.0496555 -0.0509491 1.9820231 -0.0421844 -0.0330273 0.1204144 1.7814759 27 Mg 1.9899837 -0.0571053 0.0496555 0.0509491 1.9820231 0.0421844 -0.0330273 -0.1204144 1.7814759 28 Mg 1.9899837 -0.0571053 0.0496555 0.0509491 1.9820231 0.0421844 -0.0330273 -0.1204144 1.7814759 29 Si 2.7957312 -0.0143645 -0.0434672 0.0316532 2.7481009 -0.0820470 0.0489549 -0.0600427 2.7993362 30 Si 2.7957312 0.0143645 -0.0434672 -0.0316532 2.7481009 0.0820470 0.0489549 0.0600427 2.7993362 31 Si 2.7957312 -0.0143645 -0.0434672 0.0316532 2.7481009 -0.0820470 0.0489549 -0.0600427 2.7993362 32 Si 2.7957312 0.0143645 -0.0434672 -0.0316532 2.7481009 0.0820470 0.0489549 0.0600427 2.7993362 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 291, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/159) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.022 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.225 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.299 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 11.187 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.489 ( 0.000 0.000 0.000) 0.000 11.510 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 11.807 ( 0.000 0.000 0.000) 0.000 11.882 ( 0.000 0.000 0.000) 0.000 12.117 ( 0.000 0.000 0.000) 0.000 12.191 ( 0.000 0.000 0.000) 0.000 12.408 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.553 ( 0.000 0.000 0.000) 0.000 13.077 ( 0.000 0.000 0.000) 0.000 13.229 ( 0.000 0.000 0.000) 0.000 13.476 ( 0.000 0.000 0.000) 0.000 13.502 ( 0.000 0.000 0.000) 0.000 13.750 ( 0.000 0.000 0.000) 0.000 13.924 ( 0.000 0.000 0.000) 0.000 14.038 ( 0.000 0.000 0.000) 0.000 14.094 ( 0.000 0.000 0.000) 0.000 14.245 ( 0.000 0.000 0.000) 0.000 14.697 ( 0.000 0.000 0.000) 0.000 14.755 ( 0.000 0.000 0.000) 0.000 14.834 ( 0.000 0.000 0.000) 0.000 14.942 ( 0.000 0.000 0.000) 0.000 15.332 ( 0.000 0.000 0.000) 0.000 15.351 ( 0.000 0.000 0.000) 0.000 15.451 ( 0.000 0.000 0.000) 0.000 15.649 ( 0.000 0.000 0.000) 0.000 15.707 ( 0.000 0.000 0.000) 0.000 16.214 ( 0.000 0.000 0.000) 0.000 16.353 ( 0.000 0.000 0.000) 0.000 16.413 ( 0.000 0.000 0.000) 0.000 16.587 ( 0.000 0.000 0.000) 0.000 16.678 ( 0.000 0.000 0.000) 0.000 16.725 ( 0.000 0.000 0.000) 0.000 16.943 ( 0.000 0.000 0.000) 0.000 17.049 ( 0.000 0.000 0.000) 0.000 17.082 ( 0.000 0.000 0.000) 0.000 17.573 ( 0.000 0.000 0.000) 0.000 17.735 ( 0.000 0.000 0.000) 0.000 18.063 ( 0.000 0.000 0.000) 0.000 18.265 ( 0.000 0.000 0.000) 0.000 19.402 ( 0.000 0.000 0.000) 0.000 24.633 ( 0.000 0.000 0.000) 0.000 24.702 ( 0.000 0.000 0.000) 0.000 24.853 ( 0.000 0.000 0.000) 0.000 25.235 ( 0.000 0.000 0.000) 0.000 25.858 ( 0.000 0.000 0.000) 0.000 25.907 ( 0.000 0.000 0.000) 0.000 26.415 ( 0.000 0.000 0.000) 0.000 26.434 ( 0.000 0.000 0.000) 0.000 26.503 ( 0.000 0.000 0.000) 0.000 26.541 ( 0.000 0.000 0.000) 0.000 27.031 ( 0.000 0.000 0.000) 0.000 27.121 ( 0.000 0.000 0.000) 0.000 27.210 ( 0.000 0.000 0.000) 0.000 27.524 ( 0.000 0.000 0.000) 0.000 27.778 ( 0.000 0.000 0.000) 0.000 30.296 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/159) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 32.702 0.000 17.571) 37.124 0.873 ( 35.824 0.000 26.587) 44.612 1.586 ( 59.813 0.000 52.843) 79.812 3.009 ( 9.440 0.000 5.984) 11.177 3.712 ( 0.841 0.000 3.029) 3.144 3.842 ( 7.391 0.000 13.297) 15.213 4.258 ( -12.783 0.000 4.899) 13.690 4.282 ( -2.461 0.000 9.387) 9.705 4.457 ( -2.088 0.000 -2.805) 3.497 4.751 ( 7.037 0.000 13.989) 15.660 5.259 ( 7.814 0.000 -4.191) 8.867 5.620 ( 9.703 0.000 10.210) 14.086 5.783 ( -10.808 0.000 -3.854) 11.475 6.296 ( -0.314 0.000 -3.433) 3.448 6.481 ( -7.520 0.000 -0.270) 7.524 6.668 ( 6.202 0.000 2.178) 6.573 6.735 ( 0.269 0.000 -14.502) 14.504 6.910 ( -6.694 0.000 8.945) 11.172 7.103 ( -4.695 0.000 4.876) 6.769 7.636 ( 1.159 0.000 4.139) 4.298 7.759 ( -22.667 0.000 -6.735) 23.646 7.913 ( -4.649 0.000 -3.439) 5.782 8.145 ( -31.462 0.000 -6.949) 32.221 8.434 ( -3.201 0.000 4.099) 5.201 8.632 ( -6.200 0.000 -3.132) 6.946 8.945 ( 4.126 0.000 -1.725) 4.472 9.162 ( 9.500 0.000 -1.387) 9.601 9.197 ( -1.822 0.000 -1.791) 2.555 9.374 ( 13.125 0.000 -18.846) 22.966 9.520 ( -7.781 0.000 -4.631) 9.055 9.623 ( -6.770 0.000 -5.237) 8.560 10.259 ( -8.050 0.000 -2.319) 8.377 10.518 ( -13.898 0.000 -4.405) 14.580 10.557 ( 16.114 0.000 3.583) 16.507 10.643 ( 8.217 0.000 5.314) 9.786 10.658 ( -16.195 0.000 11.681) 19.968 11.097 ( -7.326 0.000 -1.518) 7.481 11.275 ( 3.253 0.000 -4.721) 5.733 11.437 ( -7.457 0.000 -16.053) 17.700 11.437 ( -9.065 0.000 -2.653) 9.445 11.594 ( 5.950 0.000 -0.883) 6.015 11.745 ( 1.956 0.000 -6.360) 6.654 11.943 ( 7.886 0.000 -1.405) 8.010 12.309 ( 7.679 0.000 -0.743) 7.715 12.322 ( 8.310 0.000 8.363) 11.790 12.384 ( 3.619 0.000 -5.699) 6.751 12.611 ( 6.287 0.000 2.617) 6.810 13.125 ( 10.009 0.000 -4.001) 10.779 13.284 ( 7.515 0.000 -0.421) 7.527 13.495 ( 9.594 0.000 -9.517) 13.514 13.578 ( 7.516 0.000 1.648) 7.694 13.762 ( 0.096 0.000 1.142) 1.146 13.923 ( 3.816 0.000 1.162) 3.989 13.997 ( -3.665 0.000 -0.382) 3.685 14.117 ( -5.468 0.000 9.853) 11.268 14.196 ( 0.548 0.000 -6.542) 6.564 14.653 ( 6.653 0.000 -5.853) 8.861 14.663 ( -1.848 0.000 0.128) 1.852 14.809 ( 6.024 0.000 -0.590) 6.052 14.944 ( 7.266 0.000 -2.742) 7.766 15.073 ( 20.516 0.000 -21.304) 29.576 15.197 ( -6.149 0.000 -16.248) 17.372 15.294 ( -1.496 0.000 -2.462) 2.881 15.346 ( 0.897 0.000 -2.059) 2.246 15.693 ( 11.259 0.000 -6.185) 12.846 15.793 ( 0.320 0.000 2.777) 2.795 16.185 ( -1.874 0.000 2.433) 3.071 16.405 ( 3.558 0.000 -11.221) 11.772 16.407 ( 0.256 0.000 6.302) 6.308 16.567 ( 0.046 0.000 0.743) 0.744 16.667 ( 0.475 0.000 -1.964) 2.021 17.014 ( -0.119 0.000 -3.339) 3.341 17.045 ( 1.951 0.000 5.870) 6.186 17.085 ( 10.813 0.000 4.942) 11.889 17.315 ( 0.451 0.000 4.466) 4.488 17.616 ( 3.646 0.000 -0.163) 3.650 17.764 ( -1.815 0.000 9.573) 9.743 18.238 ( -3.579 0.000 0.160) 3.583 19.040 ( -30.265 0.000 39.703) 49.923 19.316 ( -8.322 0.000 -2.496) 8.689 24.660 ( 0.096 0.000 2.706) 2.708 24.732 ( 2.318 0.000 1.518) 2.770 24.861 ( 1.590 0.000 -0.802) 1.781 25.253 ( 2.306 0.000 -0.334) 2.331 25.885 ( 2.911 0.000 0.687) 2.991 25.959 ( -1.312 0.000 8.052) 8.158 26.450 ( 2.441 0.000 -0.224) 2.451 26.523 ( 8.046 0.000 -7.450) 10.965 26.569 ( -1.023 0.000 6.124) 6.209 26.975 ( -1.180 0.000 -10.956) 11.019 27.054 ( 1.882 0.000 1.407) 2.350 27.244 ( -2.914 0.000 2.131) 3.610 27.702 ( 7.685 0.000 13.579) 15.602 27.784 ( 0.061 0.000 2.222) 2.223 29.288 ( -3.528 0.000 -2.691) 4.437 30.229 ( -3.660 0.000 -11.950) 12.498 ======================= Grid point 2 (3/159) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 34.171 0.000 16.465) 37.931 1.746 ( 34.576 0.000 27.423) 44.131 3.088 ( 53.128 0.000 48.039) 71.626 3.339 ( 18.084 0.000 12.844) 22.181 3.814 ( 5.568 0.000 5.586) 7.887 4.034 ( -18.078 0.000 7.211) 19.463 4.226 ( 11.061 0.000 19.970) 22.829 4.355 ( -6.878 0.000 13.740) 15.366 4.445 ( 0.836 0.000 1.767) 1.954 5.041 ( 2.672 0.000 12.777) 13.054 5.379 ( 15.177 0.000 -5.213) 16.047 5.527 ( -12.337 0.000 -1.430) 12.420 5.986 ( 12.847 0.000 17.506) 21.714 6.223 ( -2.571 0.000 -5.351) 5.936 6.285 ( -4.064 0.000 -15.585) 16.106 6.535 ( -11.784 0.000 -4.652) 12.669 6.690 ( -5.301 0.000 -1.751) 5.583 6.911 ( -10.549 0.000 12.203) 16.131 7.076 ( -9.523 0.000 7.236) 11.960 7.200 ( -33.786 0.000 -7.271) 34.560 7.453 ( -30.033 0.000 -12.785) 32.641 7.775 ( 3.290 0.000 12.897) 13.310 7.900 ( -4.778 0.000 2.026) 5.190 8.343 ( -19.124 0.000 -3.897) 19.517 8.427 ( -7.657 0.000 -1.618) 7.826 8.987 ( 1.059 0.000 0.777) 1.314 9.130 ( -3.908 0.000 -2.383) 4.577 9.200 ( -0.618 0.000 -5.559) 5.593 9.272 ( -12.121 0.000 -6.029) 13.537 9.335 ( -0.160 0.000 -3.140) 3.144 9.510 ( 3.482 0.000 -10.428) 10.994 10.056 ( -23.068 0.000 8.269) 24.506 10.289 ( -6.123 0.000 -1.510) 6.306 10.567 ( -2.434 0.000 -1.210) 2.718 10.690 ( -1.634 0.000 2.914) 3.341 10.857 ( -0.186 0.000 7.141) 7.143 11.090 ( 12.603 0.000 -0.043) 12.603 11.180 ( -6.930 0.000 -4.075) 8.039 11.227 ( -8.584 0.000 -7.329) 11.287 11.231 ( -0.882 0.000 -7.662) 7.712 11.643 ( 2.675 0.000 -2.659) 3.771 11.698 ( -0.327 0.000 -4.383) 4.396 12.084 ( 10.368 0.000 1.685) 10.505 12.266 ( -4.624 0.000 -0.357) 4.638 12.385 ( 0.681 0.000 -7.359) 7.390 12.560 ( 6.412 0.000 8.939) 11.001 12.814 ( 13.215 0.000 4.719) 14.032 13.248 ( 17.276 0.000 -13.429) 21.882 13.459 ( 12.210 0.000 3.376) 12.669 13.514 ( 11.200 0.000 -14.481) 18.307 13.709 ( -5.185 0.000 2.860) 5.922 13.725 ( 9.366 0.000 -0.841) 9.404 13.930 ( -6.734 0.000 3.007) 7.375 14.063 ( -1.314 0.000 2.283) 2.635 14.172 ( 3.780 0.000 5.848) 6.963 14.177 ( -2.482 0.000 10.340) 10.634 14.569 ( -11.813 0.000 -5.121) 12.875 14.626 ( 12.643 0.000 -22.467) 25.780 14.833 ( 5.102 0.000 -11.923) 12.968 14.883 ( -1.434 0.000 6.812) 6.962 15.007 ( -4.736 0.000 -7.235) 8.647 15.163 ( 12.006 0.000 -4.502) 12.822 15.387 ( 6.386 0.000 0.502) 6.405 15.420 ( 15.812 0.000 1.184) 15.856 15.766 ( -4.302 0.000 0.420) 4.322 15.872 ( 13.500 0.000 1.253) 13.558 16.158 ( 6.979 0.000 -20.810) 21.949 16.343 ( 0.674 0.000 3.106) 3.179 16.465 ( -1.640 0.000 4.130) 4.444 16.591 ( 2.195 0.000 -0.794) 2.334 16.656 ( 2.656 0.000 -3.590) 4.466 16.962 ( 2.967 0.000 -8.012) 8.543 17.162 ( 3.389 0.000 3.548) 4.906 17.297 ( 6.607 0.000 5.862) 8.833 17.395 ( 3.336 0.000 4.664) 5.734 17.607 ( -4.397 0.000 0.034) 4.397 17.972 ( 8.959 0.000 14.103) 16.708 18.168 ( -5.126 0.000 0.151) 5.128 19.056 ( -12.256 0.000 16.972) 20.934 19.126 ( -11.143 0.000 -2.484) 11.417 24.714 ( 2.323 0.000 2.914) 3.726 24.799 ( 3.462 0.000 1.843) 3.921 24.879 ( 2.159 0.000 -1.134) 2.439 25.289 ( 3.104 0.000 -0.996) 3.260 25.962 ( 5.274 0.000 1.574) 5.504 26.063 ( 2.829 0.000 6.526) 7.113 26.513 ( 5.737 0.000 0.533) 5.762 26.558 ( 8.422 0.000 -8.154) 11.722 26.660 ( 4.638 0.000 4.066) 6.167 26.881 ( 1.587 0.000 -5.064) 5.307 27.124 ( 3.910 0.000 2.929) 4.886 27.194 ( -5.799 0.000 2.121) 6.175 27.778 ( 0.472 0.000 -0.340) 0.581 28.043 ( 8.196 0.000 16.690) 18.594 29.159 ( -7.118 0.000 -5.011) 8.705 29.951 ( -11.382 0.000 -13.710) 17.819 ======================= Grid point 3 (4/159) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 33.579 0.000 14.388) 36.532 2.586 ( 30.578 0.000 26.970) 40.772 3.701 ( -17.468 0.000 7.319) 18.939 3.831 ( 20.219 0.000 14.514) 24.889 4.004 ( 8.081 0.000 8.648) 11.836 4.372 ( -7.982 0.000 6.785) 10.476 4.457 ( 20.438 0.000 13.986) 24.765 4.518 ( 18.999 0.000 30.242) 35.715 4.718 ( 16.985 0.000 21.718) 27.571 4.996 ( -8.664 0.000 -1.313) 8.763 5.413 ( -13.297 0.000 0.947) 13.330 5.589 ( 17.932 0.000 -4.320) 18.445 5.996 ( -2.130 0.000 -22.213) 22.315 6.092 ( -11.731 0.000 2.171) 11.930 6.280 ( -13.987 0.000 -2.612) 14.228 6.343 ( 1.020 0.000 10.801) 10.849 6.537 ( -11.977 0.000 0.699) 11.997 6.606 ( -20.525 0.000 6.573) 21.552 6.930 ( -19.476 0.000 7.637) 20.920 6.939 ( -14.695 0.000 -4.446) 15.353 7.034 ( -3.112 0.000 9.065) 9.584 7.806 ( -24.852 0.000 -9.206) 26.502 7.857 ( -4.978 0.000 1.977) 5.356 8.009 ( -5.848 0.000 9.812) 11.423 8.304 ( -7.318 0.000 0.566) 7.340 8.883 ( -9.611 0.000 -12.071) 15.430 9.018 ( -5.427 0.000 -3.510) 6.463 9.065 ( -9.725 0.000 0.489) 9.737 9.084 ( -4.849 0.000 0.165) 4.852 9.306 ( -4.609 0.000 4.166) 6.213 9.478 ( 7.690 0.000 -10.505) 13.019 9.806 ( -20.665 0.000 8.276) 22.261 10.323 ( 4.208 0.000 5.871) 7.223 10.551 ( 6.956 0.000 -7.737) 10.405 10.567 ( -9.733 0.000 -2.060) 9.949 10.929 ( -6.486 0.000 4.268) 7.764 11.012 ( -10.208 0.000 0.647) 10.229 11.060 ( -4.467 0.000 3.087) 5.430 11.202 ( 3.986 0.000 -1.557) 4.280 11.305 ( 15.118 0.000 -3.518) 15.522 11.623 ( -3.096 0.000 -3.916) 4.992 11.642 ( 2.020 0.000 -1.279) 2.391 12.229 ( -5.751 0.000 -8.914) 10.608 12.239 ( -2.278 0.000 5.032) 5.524 12.291 ( 11.916 0.000 2.890) 12.262 12.706 ( 1.345 0.000 5.814) 5.968 13.086 ( 11.618 0.000 6.750) 13.437 13.244 ( 8.693 0.000 -20.541) 22.305 13.545 ( 9.055 0.000 -5.832) 10.770 13.608 ( -0.033 0.000 -3.800) 3.800 13.700 ( 2.136 0.000 -2.818) 3.535 13.821 ( 4.661 0.000 -1.018) 4.771 13.937 ( 4.797 0.000 5.363) 7.195 13.990 ( -7.064 0.000 3.318) 7.804 14.141 ( -8.964 0.000 -6.103) 10.844 14.239 ( -0.476 0.000 -5.383) 5.404 14.429 ( 2.686 0.000 1.502) 3.077 14.639 ( 19.883 0.000 -14.993) 24.902 14.753 ( -3.498 0.000 -2.088) 4.074 14.935 ( -4.871 0.000 9.795) 10.939 15.028 ( 13.864 0.000 -1.812) 13.982 15.324 ( 10.161 0.000 2.078) 10.371 15.511 ( 8.445 0.000 -1.405) 8.561 15.657 ( 12.325 0.000 -1.432) 12.408 15.697 ( -3.642 0.000 -1.360) 3.887 15.955 ( 7.032 0.000 -26.789) 27.697 16.067 ( 9.789 0.000 -1.381) 9.886 16.435 ( 1.368 0.000 5.283) 5.457 16.458 ( -2.430 0.000 0.493) 2.480 16.625 ( 4.622 0.000 -1.052) 4.740 16.667 ( 6.920 0.000 -7.340) 10.088 16.921 ( 5.501 0.000 -8.358) 10.006 17.184 ( -7.873 0.000 6.188) 10.014 17.417 ( 2.168 0.000 2.033) 2.973 17.525 ( -6.714 0.000 3.868) 7.748 17.546 ( 9.888 0.000 2.427) 10.182 18.113 ( -2.204 0.000 1.432) 2.628 18.318 ( 12.552 0.000 13.478) 18.418 18.937 ( -10.159 0.000 -1.359) 10.249 19.064 ( -7.489 0.000 9.092) 11.779 24.794 ( 2.645 0.000 3.563) 4.437 24.877 ( 3.675 0.000 1.711) 4.054 24.899 ( 1.958 0.000 -0.868) 2.142 25.316 ( 2.451 0.000 -1.911) 3.108 26.080 ( 6.691 0.000 2.379) 7.102 26.186 ( 3.648 0.000 5.040) 6.221 26.581 ( 5.983 0.000 -6.547) 8.869 26.649 ( 9.234 0.000 2.960) 9.697 26.783 ( 8.729 0.000 -3.405) 9.370 26.897 ( 3.047 0.000 2.737) 4.096 27.141 ( -5.948 0.000 4.964) 7.747 27.249 ( 6.396 0.000 4.723) 7.951 27.780 ( 0.828 0.000 -0.778) 1.136 28.343 ( 6.482 0.000 13.593) 15.059 28.948 ( -10.505 0.000 -7.314) 12.801 29.574 ( -13.985 0.000 -15.185) 20.644 ======================= Grid point 4 (5/159) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 23.482 0.000 10.454) 25.704 3.265 ( 16.105 0.000 18.879) 24.815 3.511 ( -14.450 0.000 7.456) 16.260 4.006 ( -3.315 0.000 -2.374) 4.077 4.295 ( -10.198 0.000 9.350) 13.835 4.395 ( 18.178 0.000 5.804) 19.083 4.581 ( 5.099 0.000 2.875) 5.854 4.928 ( 7.532 0.000 -8.889) 11.651 5.096 ( 9.063 0.000 14.421) 17.033 5.160 ( -15.243 0.000 12.011) 19.406 5.322 ( 10.964 0.000 7.291) 13.167 5.650 ( 3.623 0.000 -5.436) 6.533 5.843 ( -18.029 0.000 3.202) 18.311 5.973 ( 4.275 0.000 -10.258) 11.113 5.991 ( -6.812 0.000 7.179) 9.897 6.277 ( -10.692 0.000 8.760) 13.823 6.434 ( -3.194 0.000 4.252) 5.318 6.635 ( -4.059 0.000 3.623) 5.441 6.791 ( -10.121 0.000 14.625) 17.785 6.913 ( 5.296 0.000 8.003) 9.597 7.142 ( 0.798 0.000 6.061) 6.113 7.306 ( -19.970 0.000 -6.667) 21.054 7.785 ( -6.386 0.000 1.492) 6.558 7.895 ( -16.310 0.000 0.151) 16.310 8.306 ( 0.783 0.000 5.971) 6.022 8.548 ( -12.006 0.000 -11.859) 16.876 8.858 ( -13.800 0.000 0.380) 13.805 8.889 ( -5.409 0.000 -3.693) 6.549 9.101 ( -0.571 0.000 3.701) 3.744 9.274 ( -5.442 0.000 2.177) 5.861 9.460 ( 4.699 0.000 -9.033) 10.182 9.592 ( -17.015 0.000 3.570) 17.386 10.405 ( -11.157 0.000 1.931) 11.323 10.460 ( -1.783 0.000 9.688) 9.851 10.575 ( 6.936 0.000 -7.184) 9.986 10.813 ( -5.584 0.000 -1.212) 5.714 10.967 ( -1.695 0.000 9.586) 9.735 11.116 ( 0.049 0.000 7.818) 7.818 11.306 ( 9.646 0.000 0.353) 9.653 11.428 ( 6.275 0.000 -2.912) 6.918 11.490 ( -6.623 0.000 -5.875) 8.853 11.729 ( 6.699 0.000 3.767) 7.685 12.051 ( -1.964 0.000 -7.777) 8.021 12.329 ( 1.316 0.000 10.363) 10.446 12.478 ( 8.504 0.000 -1.247) 8.595 12.772 ( -1.012 0.000 7.307) 7.377 13.076 ( 0.216 0.000 -17.262) 17.263 13.306 ( 7.994 0.000 1.202) 8.084 13.401 ( -6.373 0.000 -12.922) 14.408 13.572 ( 0.201 0.000 -4.126) 4.131 13.694 ( 6.443 0.000 -6.977) 9.497 13.825 ( -8.003 0.000 5.620) 9.779 13.976 ( 1.575 0.000 -1.229) 1.997 13.984 ( -2.989 0.000 -1.201) 3.222 14.107 ( 7.037 0.000 -0.658) 7.068 14.158 ( -0.642 0.000 -0.727) 0.970 14.459 ( 7.655 0.000 -6.270) 9.895 14.757 ( 12.138 0.000 -9.315) 15.300 14.843 ( 9.543 0.000 5.056) 10.800 14.972 ( -3.473 0.000 7.113) 7.916 15.242 ( 10.584 0.000 -0.068) 10.584 15.513 ( 7.041 0.000 6.065) 9.293 15.558 ( 3.793 0.000 -7.998) 8.852 15.605 ( 0.315 0.000 -6.238) 6.246 15.736 ( 5.266 0.000 -11.468) 12.619 15.805 ( 4.793 0.000 -8.331) 9.611 16.113 ( 2.755 0.000 -6.215) 6.798 16.404 ( -2.207 0.000 -3.701) 4.309 16.459 ( 0.728 0.000 -3.415) 3.491 16.635 ( 5.340 0.000 -13.762) 14.761 16.725 ( 3.959 0.000 4.914) 6.311 16.988 ( 11.712 0.000 -4.561) 12.569 17.127 ( -9.767 0.000 11.357) 14.979 17.418 ( 0.180 0.000 -0.122) 0.217 17.551 ( -0.553 0.000 7.049) 7.071 17.709 ( 6.629 0.000 1.400) 6.776 18.154 ( 3.972 0.000 3.264) 5.141 18.641 ( 8.133 0.000 9.612) 12.591 18.782 ( -6.452 0.000 -0.453) 6.468 19.038 ( -6.819 0.000 4.829) 8.356 24.873 ( 1.889 0.000 3.502) 3.978 24.919 ( 1.581 0.000 -0.255) 1.602 24.950 ( 3.243 0.000 1.332) 3.506 25.314 ( 1.009 0.000 -2.796) 2.972 26.217 ( 6.759 0.000 2.612) 7.246 26.291 ( 3.407 0.000 3.256) 4.713 26.577 ( 2.187 0.000 -4.673) 5.159 26.825 ( 3.807 0.000 -3.680) 5.295 26.859 ( 10.615 0.000 5.862) 12.126 27.029 ( 9.906 0.000 -0.866) 9.944 27.143 ( -5.426 0.000 10.185) 11.540 27.440 ( 9.305 0.000 6.807) 11.529 27.789 ( 1.736 0.000 -0.907) 1.959 28.566 ( 4.190 0.000 9.745) 10.608 28.659 ( -13.496 0.000 -9.623) 16.576 29.176 ( -13.316 0.000 -14.919) 19.997 ======================= Grid point 5 (6/159) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -9.880 0.000 4.079) 10.689 3.370 ( -9.167 0.000 -5.100) 10.490 3.595 ( 12.072 0.000 6.397) 13.662 3.733 ( -22.001 0.000 -5.778) 22.747 4.393 ( 10.151 0.000 9.539) 13.930 4.621 ( 8.236 0.000 -0.180) 8.238 4.668 ( 1.382 0.000 1.236) 1.854 5.070 ( 9.409 0.000 4.311) 10.349 5.178 ( 2.823 0.000 -9.110) 9.538 5.263 ( -15.809 0.000 -5.521) 16.746 5.290 ( 4.629 0.000 18.033) 18.617 5.636 ( 4.420 0.000 9.414) 10.400 5.849 ( -4.152 0.000 1.040) 4.280 5.864 ( 8.952 0.000 12.351) 15.254 6.196 ( -11.876 0.000 5.702) 13.174 6.197 ( 6.549 0.000 4.834) 8.140 6.464 ( -1.884 0.000 1.529) 2.426 6.612 ( -0.484 0.000 -1.018) 1.127 6.827 ( -2.543 0.000 0.414) 2.576 6.954 ( -8.682 0.000 1.013) 8.741 7.130 ( -3.120 0.000 -8.603) 9.151 7.226 ( -1.481 0.000 12.986) 13.070 7.649 ( -9.572 0.000 -1.007) 9.624 7.720 ( -4.749 0.000 1.312) 4.927 8.327 ( -4.001 0.000 0.120) 4.002 8.440 ( 4.527 0.000 10.491) 11.426 8.672 ( -11.806 0.000 1.819) 11.945 8.769 ( -5.382 0.000 -2.030) 5.752 9.136 ( 0.312 0.000 1.928) 1.953 9.182 ( -6.250 0.000 -1.574) 6.445 9.379 ( -11.420 0.000 -1.378) 11.503 9.402 ( 1.735 0.000 -8.121) 8.304 10.248 ( -12.050 0.000 1.635) 12.161 10.504 ( -3.856 0.000 7.824) 8.722 10.593 ( 4.979 0.000 -4.842) 6.945 10.778 ( -3.033 0.000 5.974) 6.700 11.053 ( -7.004 0.000 4.392) 8.267 11.234 ( 3.621 0.000 5.492) 6.578 11.310 ( -2.794 0.000 -1.533) 3.186 11.513 ( 6.664 0.000 3.606) 7.577 11.518 ( 11.203 0.000 3.220) 11.656 11.864 ( 5.200 0.000 1.252) 5.349 11.992 ( 3.354 0.000 -5.015) 6.033 12.441 ( -4.093 0.000 -9.627) 10.461 12.512 ( 3.386 0.000 12.287) 12.745 12.865 ( -2.050 0.000 -13.337) 13.493 12.919 ( 5.355 0.000 8.793) 10.296 13.104 ( -1.572 0.000 -14.489) 14.574 13.473 ( 0.851 0.000 8.448) 8.490 13.493 ( -1.934 0.000 -4.577) 4.969 13.718 ( 5.193 0.000 -5.249) 7.384 13.736 ( -9.136 0.000 -0.198) 9.138 13.900 ( -4.198 0.000 -1.780) 4.560 13.952 ( 0.389 0.000 -3.168) 3.192 14.193 ( 7.058 0.000 -0.827) 7.107 14.263 ( 4.965 0.000 10.434) 11.555 14.574 ( 13.289 0.000 -4.057) 13.894 14.783 ( 4.361 0.000 -6.432) 7.770 15.002 ( -0.843 0.000 3.232) 3.340 15.036 ( 5.799 0.000 4.459) 7.315 15.224 ( 1.382 0.000 -14.179) 14.246 15.385 ( -5.790 0.000 -16.667) 17.645 15.619 ( -2.229 0.000 2.430) 3.297 15.660 ( 6.744 0.000 -8.815) 11.099 15.688 ( 4.916 0.000 5.730) 7.550 15.832 ( 3.192 0.000 -0.510) 3.233 16.041 ( -1.638 0.000 -5.147) 5.401 16.316 ( 0.611 0.000 -7.425) 7.450 16.435 ( 3.912 0.000 -3.550) 5.283 16.565 ( 3.678 0.000 -8.255) 9.037 16.806 ( -1.663 0.000 4.270) 4.582 17.002 ( -4.394 0.000 1.724) 4.720 17.281 ( 11.536 0.000 5.271) 12.683 17.454 ( 3.605 0.000 -0.090) 3.606 17.656 ( 2.757 0.000 7.682) 8.162 17.763 ( -1.422 0.000 1.166) 1.839 18.296 ( 8.139 0.000 3.145) 8.726 18.581 ( -8.710 0.000 -2.913) 9.184 18.926 ( 7.483 0.000 6.700) 10.044 18.972 ( -6.818 0.000 2.008) 7.108 24.933 ( 0.974 0.000 2.563) 2.741 24.940 ( 1.114 0.000 0.250) 1.142 25.006 ( 2.228 0.000 0.805) 2.369 25.284 ( -0.201 0.000 -2.847) 2.854 26.337 ( 4.828 0.000 1.713) 5.123 26.371 ( 2.838 0.000 2.136) 3.552 26.543 ( -0.430 0.000 -2.658) 2.693 26.836 ( 1.773 0.000 -1.434) 2.281 27.108 ( 10.531 0.000 8.006) 13.228 27.121 ( 6.142 0.000 -4.070) 7.368 27.227 ( -0.908 0.000 9.954) 9.995 27.692 ( 10.890 0.000 8.355) 13.726 27.810 ( 2.010 0.000 -0.546) 2.083 28.313 ( -14.380 0.000 -10.962) 18.082 28.710 ( 2.305 0.000 5.870) 6.307 28.814 ( -11.507 0.000 -13.039) 17.390 ======================= Grid point 6 (7/159) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -6.625 0.000 1.342) 6.760 3.116 ( -7.757 0.000 -5.935) 9.767 3.431 ( -8.852 0.000 -1.643) 9.003 3.790 ( 4.651 0.000 0.979) 4.753 4.607 ( 6.933 0.000 1.167) 7.031 4.663 ( -0.872 0.000 -0.353) 0.941 4.689 ( -0.303 0.000 1.959) 1.982 4.896 ( -7.723 0.000 -5.107) 9.259 5.245 ( 3.988 0.000 4.897) 6.315 5.327 ( 7.938 0.000 2.456) 8.309 5.669 ( 15.515 0.000 14.154) 21.001 5.710 ( -6.218 0.000 0.272) 6.224 5.876 ( 5.536 0.000 3.796) 6.713 6.006 ( -13.240 0.000 -1.714) 13.350 6.260 ( 15.095 0.000 8.840) 17.493 6.292 ( 7.177 0.000 -11.523) 13.575 6.362 ( -12.532 0.000 11.289) 16.867 6.596 ( 1.041 0.000 -2.251) 2.480 6.767 ( -11.655 0.000 1.408) 11.740 6.864 ( -8.815 0.000 -13.832) 16.402 6.926 ( 10.785 0.000 1.688) 10.917 7.153 ( -12.407 0.000 -0.533) 12.418 7.641 ( 0.705 0.000 2.318) 2.423 7.664 ( -1.742 0.000 -0.855) 1.941 8.398 ( 5.232 0.000 4.820) 7.114 8.533 ( -8.589 0.000 0.541) 8.606 8.643 ( 4.111 0.000 1.740) 4.464 8.708 ( -2.470 0.000 7.062) 7.481 9.086 ( -2.695 0.000 -0.953) 2.859 9.150 ( 0.246 0.000 -0.009) 0.246 9.227 ( -3.851 0.000 -3.394) 5.133 9.341 ( 0.428 0.000 -3.789) 3.813 10.110 ( -5.663 0.000 0.287) 5.670 10.566 ( 1.787 0.000 2.881) 3.390 10.619 ( 2.408 0.000 1.458) 2.815 10.818 ( -1.386 0.000 4.367) 4.581 10.867 ( -9.081 0.000 -5.476) 10.604 11.327 ( 0.858 0.000 1.128) 1.417 11.332 ( 2.249 0.000 2.428) 3.310 11.688 ( 3.355 0.000 3.725) 5.013 11.711 ( 6.483 0.000 7.541) 9.944 11.912 ( 2.379 0.000 -1.780) 2.971 12.000 ( 2.660 0.000 -2.446) 3.614 12.211 ( -6.748 0.000 -9.104) 11.332 12.643 ( -2.442 0.000 3.899) 4.600 12.765 ( 3.828 0.000 -2.875) 4.787 12.906 ( -0.151 0.000 -6.133) 6.135 13.207 ( 6.224 0.000 12.337) 13.819 13.424 ( -1.006 0.000 -2.310) 2.520 13.519 ( -7.187 0.000 -6.985) 10.022 13.558 ( -0.623 0.000 0.407) 0.744 13.723 ( 1.424 0.000 -1.900) 2.374 13.860 ( -1.184 0.000 0.804) 1.431 13.938 ( 0.469 0.000 -0.711) 0.852 14.283 ( 3.105 0.000 0.880) 3.228 14.514 ( 6.910 0.000 13.013) 14.734 14.729 ( 9.420 0.000 -0.980) 9.470 14.759 ( -0.380 0.000 -2.072) 2.106 15.021 ( 1.479 0.000 -1.699) 2.253 15.038 ( -6.240 0.000 -3.098) 6.966 15.043 ( -8.789 0.000 -14.505) 16.960 15.129 ( 3.583 0.000 -4.095) 5.441 15.576 ( -0.969 0.000 -0.796) 1.254 15.717 ( 3.850 0.000 0.356) 3.867 15.787 ( 1.646 0.000 1.728) 2.387 15.835 ( -1.527 0.000 -1.155) 1.915 15.979 ( -1.589 0.000 -0.351) 1.627 16.261 ( 1.379 0.000 -4.058) 4.286 16.508 ( 5.830 0.000 -0.039) 5.831 16.543 ( 1.567 0.000 -2.604) 3.039 16.784 ( -4.026 0.000 1.198) 4.200 16.963 ( -2.399 0.000 1.102) 2.640 17.496 ( 1.719 0.000 -0.351) 1.755 17.503 ( 9.965 0.000 1.744) 10.116 17.709 ( -5.888 0.000 0.382) 5.900 17.795 ( 3.185 0.000 4.633) 5.622 18.429 ( -4.838 0.000 -2.570) 5.478 18.435 ( 4.765 0.000 1.357) 4.955 18.895 ( -3.875 0.000 0.351) 3.890 19.062 ( 2.732 0.000 2.384) 3.626 24.956 ( 0.426 0.000 0.222) 0.480 24.964 ( 0.281 0.000 0.938) 0.979 25.036 ( 0.794 0.000 0.265) 0.837 25.252 ( -0.304 0.000 -1.275) 1.311 26.397 ( 1.378 0.000 0.444) 1.448 26.427 ( 1.474 0.000 0.893) 1.724 26.513 ( -0.471 0.000 -0.811) 0.938 26.843 ( 0.535 0.000 -0.389) 0.661 27.148 ( 1.661 0.000 -1.013) 1.946 27.306 ( 0.439 0.000 3.009) 3.041 27.354 ( 7.595 0.000 6.478) 9.982 27.830 ( 0.898 0.000 -0.139) 0.908 27.913 ( 1.603 0.000 1.383) 2.117 28.025 ( -3.370 0.000 -2.609) 4.262 28.526 ( -7.374 0.000 -7.871) 10.786 28.781 ( 0.748 0.000 1.973) 2.110 ======================= Grid point 13 (8/159) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 41.359 0.000) 41.359 0.839 ( 0.000 44.717 0.000) 44.717 1.520 ( 0.000 79.419 0.000) 79.419 2.707 ( 0.000 -19.782 0.000) 19.782 3.229 ( 0.000 -37.612 0.000) 37.612 3.888 ( 0.000 16.390 0.000) 16.390 4.257 ( 0.000 0.311 0.000) 0.311 4.609 ( 0.000 1.397 0.000) 1.397 4.612 ( 0.000 22.515 0.000) 22.515 4.841 ( 0.000 26.542 0.000) 26.542 5.253 ( 0.000 3.586 0.000) 3.586 5.257 ( 0.000 -24.987 0.000) 24.987 5.912 ( 0.000 3.146 0.000) 3.146 6.219 ( 0.000 -11.757 0.000) 11.757 6.366 ( 0.000 -5.440 0.000) 5.440 6.675 ( 0.000 7.619 0.000) 7.619 6.711 ( 0.000 -20.457 0.000) 20.457 6.760 ( 0.000 -12.115 0.000) 12.115 6.995 ( 0.000 -7.820 0.000) 7.820 7.490 ( 0.000 0.981 0.000) 0.981 7.983 ( 0.000 -2.114 0.000) 2.114 8.115 ( 0.000 -22.948 0.000) 22.948 8.265 ( 0.000 11.695 0.000) 11.695 8.617 ( 0.000 2.478 0.000) 2.478 8.733 ( 0.000 5.443 0.000) 5.443 8.988 ( 0.000 1.184 0.000) 1.184 9.032 ( 0.000 0.983 0.000) 0.983 9.138 ( 0.000 -6.148 0.000) 6.148 9.248 ( 0.000 2.619 0.000) 2.619 9.690 ( 0.000 8.818 0.000) 8.818 9.798 ( 0.000 -3.249 0.000) 3.249 10.090 ( 0.000 -15.912 0.000) 15.912 10.293 ( 0.000 -6.401 0.000) 6.401 10.550 ( 0.000 7.550 0.000) 7.550 10.671 ( 0.000 -4.672 0.000) 4.672 10.849 ( 0.000 15.743 0.000) 15.743 11.190 ( 0.000 -4.824 0.000) 4.824 11.286 ( 0.000 8.658 0.000) 8.658 11.470 ( 0.000 -7.073 0.000) 7.073 11.568 ( 0.000 -1.262 0.000) 1.262 11.603 ( 0.000 7.452 0.000) 7.452 11.821 ( 0.000 -0.091 0.000) 0.091 11.978 ( 0.000 10.242 0.000) 10.242 12.175 ( 0.000 5.754 0.000) 5.754 12.336 ( 0.000 1.039 0.000) 1.039 12.381 ( 0.000 -2.620 0.000) 2.620 12.459 ( 0.000 -2.285 0.000) 2.285 12.603 ( 0.000 -0.837 0.000) 0.837 13.087 ( 0.000 4.432 0.000) 4.432 13.373 ( 0.000 7.609 0.000) 7.609 13.411 ( 0.000 -5.485 0.000) 5.485 13.730 ( 0.000 3.759 0.000) 3.759 13.847 ( 0.000 -6.090 0.000) 6.090 13.854 ( 0.000 -0.527 0.000) 0.527 14.149 ( 0.000 -8.269 0.000) 8.269 14.313 ( 0.000 0.049 0.000) 0.049 14.331 ( 0.000 21.488 0.000) 21.488 14.785 ( 0.000 3.513 0.000) 3.513 14.797 ( 0.000 2.844 0.000) 2.844 14.833 ( 0.000 -0.199 0.000) 0.199 14.940 ( 0.000 -0.293 0.000) 0.293 15.209 ( 0.000 -13.186 0.000) 13.186 15.365 ( 0.000 -7.551 0.000) 7.551 15.531 ( 0.000 0.026 0.000) 0.026 15.659 ( 0.000 0.113 0.000) 0.113 16.003 ( 0.000 5.237 0.000) 5.237 16.120 ( 0.000 -24.282 0.000) 24.282 16.381 ( 0.000 -3.449 0.000) 3.449 16.475 ( 0.000 4.127 0.000) 4.127 16.712 ( 0.000 -1.398 0.000) 1.398 16.844 ( 0.000 4.407 0.000) 4.407 16.939 ( 0.000 -0.480 0.000) 0.480 17.053 ( 0.000 0.376 0.000) 0.376 17.077 ( 0.000 -0.544 0.000) 0.544 17.233 ( 0.000 11.654 0.000) 11.654 17.697 ( 0.000 -3.822 0.000) 3.822 18.093 ( 0.000 2.861 0.000) 2.861 18.252 ( 0.000 -1.397 0.000) 1.397 18.885 ( 0.000 6.758 0.000) 6.758 19.355 ( 0.000 -4.958 0.000) 4.958 24.634 ( 0.000 0.141 0.000) 0.141 24.681 ( 0.000 -1.683 0.000) 1.683 24.921 ( 0.000 4.849 0.000) 4.849 25.208 ( 0.000 -2.862 0.000) 2.862 25.866 ( 0.000 0.833 0.000) 0.833 25.906 ( 0.000 -0.183 0.000) 0.183 26.417 ( 0.000 0.176 0.000) 0.176 26.425 ( 0.000 -0.690 0.000) 0.690 26.527 ( 0.000 0.155 0.000) 0.155 26.534 ( 0.000 -0.593 0.000) 0.593 27.050 ( 0.000 1.888 0.000) 1.888 27.193 ( 0.000 -1.761 0.000) 1.761 27.202 ( 0.000 3.353 0.000) 3.353 27.489 ( 0.000 -3.561 0.000) 3.561 30.319 ( 0.000 2.408 0.000) 2.408 30.503 ( 0.000 -2.106 0.000) 2.106 ======================= Grid point 14 (9/159) ======================= q-point: ( 0.08 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 23.080 31.544 9.845) 40.307 1.251 ( 26.228 30.565 19.615) 44.798 2.146 ( 41.154 52.306 37.072) 76.184 2.829 ( 10.716 -17.944 6.594) 21.916 3.255 ( 0.290 -34.702 5.003) 35.062 4.024 ( 8.046 15.098 11.373) 20.544 4.302 ( -1.588 3.377 4.591) 5.916 4.607 ( -1.276 14.642 -1.154) 14.743 4.644 ( -8.345 22.858 6.299) 25.136 4.773 ( -1.152 5.477 11.404) 12.703 5.256 ( 3.965 2.338 -3.917) 6.044 5.413 ( 9.580 -23.945 11.819) 28.370 5.825 ( -6.116 3.948 -4.808) 8.724 6.194 ( -1.640 -11.695 -2.267) 12.025 6.437 ( -2.234 -3.727 -4.999) 6.623 6.546 ( 3.186 -10.127 -7.833) 13.193 6.700 ( -7.531 -15.622 5.260) 18.123 6.768 ( 2.309 0.460 2.819) 3.673 7.103 ( -2.841 -1.529 11.005) 11.468 7.499 ( -3.223 -8.173 4.941) 10.080 7.810 ( -22.237 1.091 -4.928) 22.802 8.022 ( -14.961 -5.268 -5.816) 16.894 8.041 ( -14.976 4.428 3.593) 16.025 8.423 ( -12.104 -1.538 -1.077) 12.249 8.678 ( -5.343 5.093 -2.218) 7.708 8.942 ( 3.449 -1.085 -3.134) 4.785 9.099 ( -2.973 -9.875 -5.774) 11.819 9.183 ( 8.441 0.181 -4.740) 9.683 9.267 ( 6.689 -0.212 -7.159) 9.800 9.560 ( -13.794 -0.577 -4.844) 14.631 9.679 ( -1.705 5.968 -3.329) 7.043 10.151 ( -4.899 -12.270 2.316) 13.413 10.342 ( -1.601 -9.857 7.590) 12.543 10.484 ( -7.728 -1.014 -2.649) 8.232 10.730 ( -3.508 1.623 5.289) 6.551 10.865 ( 8.578 15.830 1.888) 18.104 11.218 ( -0.389 6.871 -4.066) 7.993 11.252 ( 2.889 0.144 -4.320) 5.199 11.361 ( -9.580 -4.986 -3.246) 11.277 11.439 ( -6.347 1.009 -6.230) 8.950 11.672 ( 3.453 4.935 -4.274) 7.386 11.747 ( 0.538 0.727 -2.980) 3.115 12.036 ( 7.095 8.401 -1.126) 11.054 12.200 ( 5.347 -1.014 0.585) 5.474 12.324 ( 0.202 -5.565 -3.020) 6.335 12.494 ( 9.369 7.754 3.370) 12.620 12.596 ( 7.391 -1.360 2.115) 7.807 13.071 ( 21.351 -26.347 11.685) 35.868 13.134 ( 12.073 1.641 -6.445) 13.784 13.380 ( 6.578 4.702 -3.457) 8.794 13.515 ( 12.148 1.949 -5.517) 13.484 13.747 ( 3.935 -0.426 1.957) 4.416 13.822 ( -3.989 -3.376 5.806) 7.812 13.935 ( 0.524 -3.979 3.520) 5.339 14.221 ( -2.267 6.455 -3.628) 7.743 14.294 ( -3.957 2.195 16.075) 16.699 14.411 ( 11.305 -1.002 0.022) 11.349 14.708 ( -4.311 3.336 0.820) 5.512 14.838 ( 3.562 2.329 -0.161) 4.259 14.953 ( -0.041 0.228 2.954) 2.963 14.996 ( 9.206 -2.463 -2.140) 9.767 15.066 ( -3.478 -12.343 -11.830) 17.447 15.265 ( -1.478 -4.573 -3.220) 5.785 15.503 ( 0.761 6.056 -10.745) 12.358 15.682 ( 6.850 -0.681 -3.142) 7.567 15.998 ( 1.589 2.495 -6.008) 6.697 16.089 ( 6.175 -16.309 -5.537) 18.297 16.379 ( -1.862 -5.970 -2.058) 6.584 16.462 ( 1.970 8.086 -7.855) 11.444 16.621 ( 1.029 10.327 -1.777) 10.529 16.872 ( -2.422 10.454 -6.157) 12.372 17.004 ( 4.798 -2.865 -2.456) 6.104 17.024 ( -3.044 0.390 6.247) 6.960 17.112 ( 9.716 2.005 5.454) 11.321 17.226 ( -0.782 0.603 2.292) 2.496 17.652 ( -2.426 -2.109 -1.777) 3.673 17.948 ( -2.210 14.042 2.226) 14.388 18.249 ( -3.519 0.589 1.305) 3.799 18.966 ( -16.591 -2.972 26.859) 31.710 19.270 ( -8.628 -4.840 -1.808) 10.056 24.658 ( 1.055 -0.054 1.953) 2.221 24.706 ( 2.214 -1.933 1.004) 3.106 24.922 ( 1.424 5.374 -0.570) 5.589 25.225 ( 2.252 -2.962 -0.390) 3.742 25.891 ( 2.968 0.743 0.603) 3.118 25.950 ( 0.237 -0.786 5.961) 6.017 26.428 ( 3.229 -1.285 -1.258) 3.696 26.531 ( 2.236 -1.553 2.742) 3.864 26.569 ( 4.985 1.375 -1.287) 5.329 26.856 ( 11.541 -14.663 0.447) 18.665 27.030 ( 1.190 -1.368 -2.511) 3.097 27.131 ( 4.945 -7.745 -0.493) 9.202 27.381 ( 8.731 -1.344 11.546) 14.537 27.670 ( 7.674 -3.815 15.172) 17.425 29.928 ( -28.267 26.334 -15.808) 41.742 30.243 ( -5.484 1.160 -12.566) 13.760 ======================= Grid point 15 (10/159) ======================= q-point: ( 0.15 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 30.605 20.413 13.333) 39.129 1.961 ( 30.860 20.047 23.049) 43.422 3.147 ( 20.673 -15.424 13.709) 29.209 3.334 ( 19.944 -6.062 19.728) 28.700 3.435 ( 28.729 4.190 31.413) 42.775 4.248 ( -10.607 7.393 3.601) 13.421 4.348 ( 7.774 8.718 12.011) 16.754 4.509 ( -1.006 14.769 4.273) 15.407 4.646 ( -5.733 21.031 9.459) 23.762 5.022 ( 2.616 -2.063 14.036) 14.426 5.288 ( 4.045 -1.401 0.519) 4.312 5.629 ( -3.737 -0.062 -1.270) 3.948 5.829 ( 15.542 -14.256 11.713) 24.124 6.097 ( -4.198 -12.003 -9.410) 15.819 6.216 ( -3.842 -9.565 -9.971) 14.342 6.531 ( -11.761 0.634 0.369) 11.784 6.626 ( -3.977 -9.035 4.923) 11.032 6.778 ( -9.877 -5.105 2.290) 11.351 7.132 ( -7.867 4.719 6.756) 11.393 7.284 ( -33.503 6.986 -1.676) 34.264 7.497 ( -19.794 2.711 -5.560) 20.738 7.629 ( -6.614 -10.011 8.699) 14.820 7.891 ( -9.601 -2.195 0.294) 9.853 8.348 ( -9.239 -6.616 6.074) 12.885 8.481 ( -13.452 7.489 -4.916) 16.162 8.891 ( -6.580 -9.557 -4.128) 12.315 9.020 ( 0.256 -5.745 -0.216) 5.754 9.151 ( -2.058 -3.745 -9.888) 10.772 9.215 ( -2.966 -2.578 -8.090) 8.994 9.311 ( -9.196 -1.297 -0.592) 9.306 9.615 ( -0.227 5.196 -4.179) 6.672 9.990 ( -20.390 -7.176 7.082) 22.746 10.348 ( -2.850 5.524 0.153) 6.218 10.468 ( 3.951 -6.110 6.110) 9.501 10.679 ( -4.754 0.278 1.964) 5.151 10.991 ( -4.129 7.094 1.089) 8.280 11.171 ( 1.187 3.605 -4.081) 5.573 11.198 ( -2.559 0.405 -4.870) 5.516 11.235 ( -5.044 3.085 -9.158) 10.901 11.251 ( 5.231 4.840 -3.845) 8.098 11.671 ( 1.383 2.567 -2.989) 4.176 11.706 ( -1.025 0.920 -3.371) 3.642 12.186 ( 12.706 8.785 -0.663) 15.462 12.239 ( -1.591 -0.707 0.027) 1.741 12.314 ( 1.724 -5.208 -1.254) 5.628 12.616 ( 2.996 4.157 1.387) 5.308 12.773 ( 11.538 -4.286 1.879) 12.451 13.263 ( 12.775 -1.043 -7.381) 14.791 13.346 ( 14.587 -16.408 -6.112) 22.790 13.466 ( 8.807 -1.183 -4.620) 10.015 13.594 ( 6.029 2.661 -3.075) 7.272 13.796 ( -3.695 -0.216 6.653) 7.613 13.936 ( 4.808 6.784 1.982) 8.548 14.025 ( 5.582 -5.499 6.964) 10.483 14.162 ( -1.838 2.936 2.157) 4.081 14.350 ( -2.411 11.599 6.018) 13.288 14.470 ( -5.101 -4.495 -9.437) 11.631 14.696 ( 2.576 1.614 -0.945) 3.184 14.838 ( 3.908 -2.766 -3.987) 6.230 14.900 ( 0.466 -0.267 0.534) 0.757 15.017 ( -3.174 0.029 -3.615) 4.811 15.096 ( 9.428 -7.942 1.474) 12.415 15.285 ( 5.742 -0.911 -4.748) 7.506 15.473 ( 14.906 6.066 -6.565) 17.380 15.766 ( 9.202 -8.233 -8.936) 15.242 15.920 ( 2.066 2.068 -6.582) 7.202 16.150 ( 8.080 -0.319 -5.267) 9.650 16.297 ( 0.391 -4.326 -3.378) 5.503 16.469 ( 1.099 -0.507 1.560) 1.974 16.626 ( 1.415 11.963 -3.060) 12.429 16.770 ( -3.154 5.162 -2.654) 6.606 16.981 ( 2.824 2.357 -5.279) 6.434 17.153 ( 6.578 -2.537 6.095) 9.320 17.229 ( -3.053 -4.231 2.660) 5.857 17.375 ( 10.447 -0.908 6.192) 12.178 17.589 ( -4.977 -2.288 -0.218) 5.482 18.066 ( 5.241 7.953 10.760) 14.370 18.196 ( -3.982 2.596 0.817) 4.823 19.013 ( -9.876 -3.605 15.150) 18.441 19.090 ( -11.047 -3.614 -1.126) 11.678 24.714 ( 2.496 0.013 2.638) 3.632 24.763 ( 2.993 -2.303 1.427) 4.037 24.948 ( 2.565 5.630 -0.597) 6.215 25.260 ( 3.041 -3.084 -0.972) 4.439 25.970 ( 5.301 0.780 1.609) 5.595 26.050 ( 3.383 -1.286 5.387) 6.490 26.497 ( 6.956 -0.269 -0.075) 6.962 26.607 ( 7.695 3.171 -5.544) 10.000 26.644 ( 3.849 -1.131 4.012) 5.673 26.858 ( 2.398 -2.416 -4.448) 5.601 27.053 ( 0.942 -4.249 0.007) 4.352 27.189 ( 1.358 -4.957 3.406) 6.166 27.654 ( 7.459 -3.624 7.193) 10.978 27.995 ( 8.354 -4.808 16.003) 18.681 29.429 ( -16.771 20.136 -11.475) 28.608 29.939 ( -12.638 -1.478 -13.853) 18.810 ======================= Grid point 16 (11/159) ======================= q-point: ( 0.23 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 31.865 14.431 12.830) 37.259 2.721 ( 28.925 13.034 24.077) 39.828 3.500 ( 3.359 -16.901 11.422) 20.673 3.710 ( 21.950 -14.810 14.355) 30.121 4.074 ( -7.959 7.773 3.282) 11.599 4.290 ( -4.178 -3.374 9.368) 10.798 4.574 ( 11.291 9.438 2.872) 14.994 4.708 ( 20.402 13.886 23.168) 33.850 4.834 ( 9.863 10.314 12.149) 18.742 5.066 ( -7.029 7.569 10.678) 14.857 5.357 ( -8.453 -1.994 3.684) 9.434 5.585 ( 9.131 -1.834 -9.222) 13.107 5.930 ( 1.552 -5.748 -5.056) 7.811 6.025 ( -12.541 -10.005 -1.345) 16.099 6.212 ( 1.797 -7.292 7.538) 10.641 6.330 ( -7.542 -1.992 0.635) 7.826 6.477 ( -17.455 -3.101 -2.555) 17.911 6.621 ( -13.925 0.229 6.255) 15.267 6.876 ( -15.420 -2.144 8.612) 17.792 7.056 ( -11.806 9.176 1.668) 15.045 7.123 ( -12.678 11.105 2.293) 17.009 7.679 ( -16.574 -8.719 -3.798) 19.109 7.800 ( -0.328 -13.795 12.883) 18.878 8.107 ( -17.385 14.621 0.263) 22.717 8.329 ( -8.873 -4.272 3.411) 10.422 8.706 ( -9.528 -12.385 -6.440) 16.901 8.909 ( -10.038 -7.582 -6.107) 13.983 9.009 ( -6.509 -5.050 0.740) 8.271 9.088 ( -0.133 0.831 -6.840) 6.892 9.238 ( -3.129 -2.563 2.071) 4.544 9.572 ( -0.473 2.863 -3.065) 4.220 9.788 ( -16.616 -3.401 8.893) 19.150 10.401 ( 2.237 6.300 5.206) 8.473 10.537 ( 1.494 2.955 -1.599) 3.677 10.652 ( -0.841 3.920 0.217) 4.016 10.903 ( -6.490 -2.866 0.891) 7.151 11.019 ( -4.050 1.219 -8.798) 9.761 11.065 ( -10.857 2.282 4.323) 11.907 11.186 ( 3.342 -0.526 0.114) 3.385 11.366 ( 10.219 2.586 -5.352) 11.822 11.639 ( -2.073 1.900 -3.000) 4.112 11.657 ( 1.448 1.388 -1.754) 2.665 12.203 ( -1.367 1.162 -5.132) 5.437 12.246 ( -1.028 1.096 0.732) 1.671 12.444 ( 12.521 11.340 2.574) 17.088 12.649 ( -0.591 -3.970 2.716) 4.847 12.956 ( 9.423 -10.540 -1.542) 14.222 13.285 ( 7.762 -1.996 -13.749) 15.914 13.414 ( 6.552 -11.207 -5.703) 14.179 13.535 ( 6.264 -3.541 -7.957) 10.728 13.665 ( 5.442 0.556 -2.729) 6.113 13.799 ( -1.911 -2.032 5.796) 6.432 14.005 ( -9.794 2.524 5.528) 11.526 14.098 ( 5.967 6.125 -8.321) 11.932 14.120 ( -1.360 6.104 1.210) 6.370 14.384 ( 6.737 1.366 0.566) 6.897 14.436 ( 1.970 9.863 0.951) 10.102 14.626 ( 0.974 -0.503 -8.135) 8.209 14.887 ( 0.444 6.767 0.180) 6.784 14.946 ( -0.087 1.863 2.939) 3.481 14.993 ( 10.901 -3.935 -0.241) 11.592 15.304 ( 12.566 -6.291 1.185) 14.103 15.337 ( 6.344 -3.639 -1.483) 7.462 15.653 ( 11.847 -0.361 -3.828) 12.455 15.714 ( 6.274 -7.707 -14.631) 17.687 15.903 ( 3.083 4.021 -6.764) 8.451 16.226 ( 6.069 5.843 -3.403) 9.086 16.301 ( 6.247 -7.864 -4.949) 11.197 16.476 ( 0.785 -4.577 -3.248) 5.667 16.629 ( 0.521 10.378 2.552) 10.699 16.716 ( 2.169 -0.011 -4.988) 5.439 16.972 ( 3.339 5.028 -3.440) 6.947 17.164 ( -7.617 -3.155 3.132) 8.820 17.358 ( 6.644 -5.804 6.902) 11.201 17.491 ( -5.049 -0.355 -0.960) 5.152 17.566 ( 7.151 -0.418 2.608) 7.623 18.159 ( -1.747 4.527 2.882) 5.643 18.339 ( 9.834 1.469 11.509) 15.209 18.922 ( -9.409 -1.172 -0.173) 9.483 19.031 ( -6.719 -3.190 8.704) 11.449 24.792 ( 2.748 -0.128 3.324) 4.314 24.827 ( 2.973 -2.271 1.418) 4.001 24.982 ( 2.550 5.667 -0.439) 6.230 25.286 ( 2.401 -3.070 -1.794) 4.290 26.088 ( 6.749 0.840 2.334) 7.191 26.171 ( 4.454 -1.416 4.242) 6.311 26.614 ( 5.199 3.292 -4.651) 7.714 26.652 ( 8.426 0.455 1.725) 8.613 26.763 ( 8.225 -2.026 -3.125) 9.029 26.889 ( 2.062 -2.028 4.976) 5.755 27.069 ( 1.153 -2.702 1.406) 3.257 27.287 ( 4.428 -0.771 5.358) 6.993 27.788 ( 2.860 3.343 3.186) 5.432 28.285 ( 5.980 -5.990 13.036) 15.543 29.072 ( -13.747 11.115 -10.270) 20.445 29.546 ( -14.717 -3.118 -15.200) 21.386 ======================= Grid point 17 (12/159) ======================= q-point: ( 0.31 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 21.614 10.659 9.340) 25.846 3.333 ( 12.394 6.183 16.857) 21.817 3.599 ( -6.245 7.879 9.578) 13.886 3.972 ( 0.074 -4.343 -0.468) 4.369 4.191 ( -5.018 -10.770 13.071) 17.665 4.292 ( 15.045 -7.692 1.568) 16.970 4.650 ( 7.044 4.007 -2.639) 8.523 4.804 ( 3.539 -3.286 -7.879) 9.242 5.077 ( -7.256 -4.072 7.957) 11.512 5.245 ( 5.416 -5.335 1.164) 7.691 5.362 ( -1.860 14.692 8.687) 17.169 5.641 ( -0.618 -4.692 -3.492) 5.881 5.811 ( -8.154 1.803 6.699) 10.706 5.987 ( -5.908 -0.947 -7.425) 9.536 6.044 ( -7.497 5.192 8.349) 12.364 6.217 ( -11.183 -5.319 8.947) 15.277 6.326 ( -0.760 -8.052 0.876) 8.135 6.703 ( -2.615 -1.255 14.682) 14.966 6.814 ( -5.892 6.829 11.169) 14.356 6.969 ( -2.086 0.462 -0.466) 2.187 7.106 ( -0.485 5.801 3.521) 6.803 7.392 ( -11.136 4.895 1.534) 12.261 7.855 ( -11.170 -8.229 5.138) 14.795 7.911 ( -7.630 12.829 2.983) 15.221 8.277 ( -4.823 -4.052 7.442) 9.750 8.440 ( -10.885 -6.993 -8.668) 15.573 8.729 ( -7.970 -10.034 -0.822) 12.840 8.887 ( -7.283 -3.358 -1.287) 8.122 9.019 ( -3.463 0.269 -0.987) 3.611 9.251 ( 1.129 -3.229 0.204) 3.426 9.496 ( -6.548 0.673 -0.333) 6.591 9.677 ( -9.458 4.634 4.526) 11.463 10.421 ( -8.151 2.148 4.887) 9.744 10.518 ( -5.948 4.527 3.207) 8.134 10.656 ( 3.285 7.190 -2.593) 8.320 10.849 ( -7.534 3.197 -3.375) 8.853 10.896 ( 3.503 -6.074 4.417) 8.287 11.050 ( 0.863 -3.431 5.134) 6.235 11.289 ( 3.723 -2.655 3.874) 5.993 11.391 ( 2.892 -3.507 -4.681) 6.525 11.575 ( -1.142 6.011 -2.803) 6.730 11.716 ( 5.497 -1.150 2.247) 6.048 12.094 ( -0.066 5.378 -7.008) 8.834 12.304 ( 2.139 -0.574 5.886) 6.289 12.546 ( 0.418 1.820 -4.726) 5.081 12.749 ( 5.968 0.894 5.643) 8.262 12.960 ( 1.552 -10.177 -9.660) 14.117 13.230 ( 1.870 -10.241 -8.650) 13.535 13.360 ( 2.353 0.083 -19.392) 19.535 13.530 ( 3.154 -3.306 6.669) 8.084 13.720 ( 7.294 2.343 -4.233) 8.752 13.852 ( -3.859 -1.443 5.602) 6.954 13.892 ( -3.259 -1.066 0.033) 3.429 14.038 ( -1.934 3.849 0.351) 4.322 14.206 ( 1.243 9.168 -1.482) 9.370 14.343 ( 0.157 13.149 -5.492) 14.250 14.519 ( 8.074 5.436 -2.955) 10.172 14.671 ( 11.232 -4.005 -3.921) 12.553 14.907 ( -1.678 2.155 3.864) 4.732 15.008 ( 5.758 2.379 -0.228) 6.234 15.145 ( 4.557 -9.115 -0.634) 10.210 15.411 ( 6.558 -3.796 -2.617) 8.017 15.504 ( 9.543 -1.741 3.216) 10.220 15.646 ( 7.975 -3.246 -13.227) 15.783 15.736 ( 5.485 -0.483 -4.234) 6.946 15.835 ( -1.345 3.525 -5.590) 6.744 16.204 ( 2.361 0.675 -8.887) 9.220 16.291 ( -1.808 0.572 -4.582) 4.959 16.480 ( 3.769 -6.195 -3.627) 8.108 16.598 ( 3.529 0.493 -12.688) 13.179 16.767 ( 2.071 4.721 6.110) 7.994 17.025 ( 6.425 2.608 -2.317) 7.311 17.117 ( -4.633 -0.823 9.215) 10.347 17.425 ( -1.819 -2.191 1.590) 3.262 17.516 ( 3.989 -0.588 4.683) 6.180 17.690 ( 5.906 -1.930 0.915) 6.280 18.211 ( 2.873 5.571 4.162) 7.524 18.601 ( 5.006 -4.423 8.081) 10.485 18.803 ( -4.383 2.436 1.102) 5.134 19.013 ( -6.048 -2.607 4.569) 8.016 24.871 ( 2.034 -0.216 3.307) 3.888 24.885 ( 2.426 -1.595 1.241) 3.157 25.015 ( 2.170 4.805 -0.166) 5.275 25.286 ( 1.020 -2.882 -2.579) 3.999 26.225 ( 6.828 0.778 2.444) 7.294 26.282 ( 4.176 -0.859 2.823) 5.113 26.601 ( 1.272 2.285 -3.899) 4.695 26.797 ( 3.728 -2.725 -3.570) 5.837 26.850 ( 9.860 -0.350 4.395) 10.801 27.039 ( 5.496 -2.304 7.489) 9.571 27.130 ( 3.543 2.744 2.322) 5.047 27.452 ( 7.638 -1.145 6.258) 9.940 27.847 ( 1.495 7.254 1.975) 7.665 28.482 ( 1.329 -7.733 8.498) 11.567 28.741 ( -11.980 7.079 -10.192) 17.249 29.141 ( -13.550 -3.748 -14.841) 20.443 ======================= Grid point 18 (13/159) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( -11.020 6.488 3.504) 13.259 3.412 ( -15.214 2.173 -5.126) 16.201 3.654 ( 10.732 5.951 5.374) 13.397 3.776 ( -17.120 4.993 -4.087) 18.296 4.387 ( 12.840 -0.849 11.847) 17.491 4.539 ( 12.245 -6.330 -3.084) 14.125 4.754 ( 6.330 5.468 0.344) 8.372 4.976 ( 13.699 -7.956 2.492) 16.036 5.065 ( -3.724 -9.049 0.578) 9.802 5.243 ( 2.041 4.238 -7.117) 8.531 5.366 ( 0.965 -2.182 10.477) 10.745 5.563 ( -10.657 -2.705 3.467) 11.528 5.705 ( 4.292 -9.764 6.405) 12.441 5.924 ( -3.600 3.279 4.813) 6.846 6.135 ( -8.605 -6.295 2.321) 10.911 6.152 ( -6.881 -4.111 13.452) 15.659 6.335 ( 1.890 -8.618 -3.595) 9.527 6.701 ( -8.360 -8.439 -6.937) 13.755 6.834 ( -1.888 10.098 4.664) 11.283 7.042 ( -1.256 6.603 -0.188) 6.724 7.069 ( -3.507 2.222 3.336) 5.326 7.370 ( -2.517 10.048 3.466) 10.923 7.709 ( -4.609 6.104 3.068) 8.241 7.901 ( -4.725 12.428 2.863) 13.601 8.276 ( -1.614 -3.789 2.454) 4.794 8.376 ( 1.495 -4.617 13.219) 14.082 8.626 ( -6.643 -3.989 1.886) 7.975 8.770 ( -5.484 -0.558 -1.388) 5.684 8.962 ( -3.497 -5.913 0.983) 6.939 9.204 ( -4.049 -4.554 -4.925) 7.835 9.415 ( -3.915 6.954 1.774) 8.176 9.590 ( -4.402 10.746 -1.141) 11.669 10.304 ( -11.615 4.625 2.205) 12.695 10.478 ( -3.808 -3.015 5.709) 7.495 10.680 ( 2.962 7.787 -2.067) 8.584 10.739 ( -5.284 -2.280 1.857) 6.047 11.005 ( -3.142 -6.444 4.387) 8.405 11.145 ( 3.124 -4.496 3.246) 6.364 11.305 ( 1.552 -1.027 1.872) 2.640 11.477 ( 6.735 -4.743 1.830) 8.439 11.584 ( 4.650 5.817 0.899) 7.502 11.840 ( 4.864 -1.954 3.635) 6.379 12.050 ( 3.075 5.551 -5.509) 8.403 12.398 ( -2.380 -2.829 -5.257) 6.427 12.467 ( 1.908 -4.474 4.977) 6.959 12.717 ( -3.617 -8.333 -10.147) 13.620 12.944 ( 4.213 -4.306 -10.003) 11.677 13.084 ( -1.254 -11.910 -4.574) 12.820 13.287 ( 3.507 6.560 -1.703) 7.631 13.667 ( 1.076 3.086 6.708) 7.462 13.779 ( 4.641 4.051 -1.364) 6.310 13.819 ( -4.342 4.690 3.744) 7.407 13.903 ( -1.362 1.629 -0.008) 2.123 13.959 ( -1.720 3.813 -4.219) 5.941 14.260 ( 5.423 2.605 4.260) 7.372 14.310 ( 2.963 8.505 -2.627) 9.382 14.643 ( 10.140 5.950 -1.744) 11.886 14.744 ( 4.974 -3.453 -5.599) 8.247 14.916 ( -1.937 -3.709 2.567) 4.909 15.050 ( 0.826 -13.539 -8.943) 16.246 15.145 ( 1.415 4.387 1.429) 4.826 15.385 ( 0.726 0.427 -12.140) 12.169 15.628 ( 4.967 -2.688 -9.124) 10.730 15.652 ( 0.450 -0.405 0.429) 0.742 15.713 ( 3.418 3.196 1.657) 4.964 15.841 ( 3.316 1.374 0.581) 3.636 16.099 ( -1.379 2.658 -8.261) 8.786 16.211 ( -1.509 -7.303 -1.925) 7.702 16.433 ( 2.086 0.299 -8.192) 8.459 16.533 ( 3.740 -3.800 -7.522) 9.221 16.853 ( -0.403 5.839 5.034) 7.719 17.043 ( -2.140 2.110 2.553) 3.943 17.279 ( 9.172 0.283 5.518) 10.708 17.463 ( 4.461 -0.268 0.225) 4.475 17.628 ( 2.942 -1.352 5.140) 6.075 17.760 ( 1.086 -0.920 2.146) 2.575 18.329 ( 5.522 3.396 3.373) 7.308 18.571 ( -7.861 -1.472 -1.660) 8.168 18.903 ( 4.711 -1.580 5.752) 7.601 18.962 ( -4.326 -1.283 1.821) 4.866 24.930 ( 1.613 -0.646 0.856) 1.937 24.931 ( 1.021 -0.193 2.555) 2.758 25.043 ( 1.570 3.382 -0.012) 3.729 25.260 ( -0.088 -2.443 -2.572) 3.549 26.343 ( 4.765 0.547 1.480) 5.020 26.368 ( 3.375 -0.284 1.892) 3.880 26.569 ( -0.425 2.624 -2.020) 3.339 26.811 ( 2.067 -3.002 -1.408) 3.907 27.036 ( 7.126 -1.958 2.892) 7.936 27.193 ( 1.533 -3.289 8.022) 8.804 27.244 ( 8.358 7.878 2.221) 11.698 27.656 ( 8.356 -3.812 5.377) 10.643 27.906 ( 2.793 9.297 3.720) 10.396 28.335 ( -14.327 1.705 -9.369) 17.203 28.657 ( 1.563 -4.823 2.996) 5.889 28.781 ( -11.061 -3.568 -12.552) 17.106 ======================= Grid point 19 (14/159) ======================= q-point: ( 0.46 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -7.451 3.616 1.032) 8.346 3.100 ( -10.140 -1.921 -4.629) 11.311 3.528 ( -6.489 9.875 -2.121) 12.005 3.831 ( 3.362 3.794 0.503) 5.094 4.607 ( 3.956 -0.121 2.860) 4.883 4.640 ( 5.753 -2.335 -3.023) 6.906 4.790 ( 0.118 10.321 0.085) 10.322 4.893 ( -6.463 -1.583 -2.528) 7.118 5.183 ( 5.222 -3.998 3.248) 7.335 5.392 ( 12.785 3.590 4.107) 13.900 5.599 ( 5.161 -6.154 9.433) 12.389 5.656 ( 5.793 -11.740 3.330) 13.509 5.758 ( -2.547 0.328 4.836) 5.475 5.958 ( -8.348 -8.696 -3.715) 12.614 6.037 ( 8.651 -8.549 3.576) 12.677 6.176 ( -10.758 -13.725 8.718) 19.496 6.280 ( 0.417 -7.504 -5.711) 9.439 6.516 ( -2.762 -12.476 -2.744) 13.069 6.673 ( -10.482 -7.185 -10.216) 16.305 6.981 ( 3.383 16.617 -3.719) 17.361 7.025 ( -8.663 0.760 3.643) 9.428 7.415 ( 2.071 25.128 3.572) 25.465 7.725 ( -0.410 6.358 1.140) 6.472 7.833 ( -2.772 12.351 -1.228) 12.718 8.392 ( 5.451 0.124 5.526) 7.762 8.507 ( -5.967 -3.325 3.490) 7.671 8.619 ( 4.944 -0.637 3.136) 5.889 8.695 ( -4.907 -0.084 2.376) 5.452 8.954 ( 0.068 -7.365 2.911) 7.920 9.068 ( -3.863 -6.078 -5.127) 8.841 9.395 ( -0.480 12.686 -0.188) 12.696 9.525 ( -1.324 13.252 -1.556) 13.408 10.173 ( -5.416 4.961 0.276) 7.350 10.550 ( 2.668 -3.623 6.634) 8.016 10.665 ( -1.324 2.912 -4.178) 5.263 10.721 ( -1.732 -5.682 3.300) 6.795 10.891 ( -5.829 2.991 -3.223) 7.301 11.234 ( 2.433 -7.152 2.232) 7.877 11.399 ( 1.673 3.226 3.803) 5.260 11.565 ( 2.418 -9.155 0.298) 9.474 11.736 ( 7.703 1.283 6.485) 10.150 11.921 ( 0.240 -0.538 2.790) 2.852 12.000 ( -0.767 0.656 -8.390) 8.450 12.237 ( -2.894 3.375 -5.301) 6.918 12.569 ( -2.181 -9.808 -4.226) 10.900 12.611 ( 2.955 -8.234 4.618) 9.892 12.825 ( 0.218 -7.591 -6.546) 10.026 13.070 ( -0.128 -19.658 -1.372) 19.707 13.367 ( 2.325 11.062 3.902) 11.958 13.670 ( -2.118 12.413 -2.474) 12.833 13.789 ( 0.261 7.179 -0.280) 7.189 13.841 ( -0.634 4.251 0.732) 4.360 13.877 ( 1.637 4.980 2.335) 5.739 13.931 ( -1.615 6.249 -0.935) 6.522 14.347 ( 3.689 5.914 -0.498) 6.988 14.478 ( 7.082 -3.411 12.036) 14.375 14.695 ( 0.027 -3.621 -7.158) 8.022 14.765 ( 2.835 -0.765 1.889) 3.492 14.876 ( -3.729 -12.189 -10.078) 16.249 14.942 ( 3.295 -1.542 1.748) 4.036 15.090 ( -8.003 2.262 -4.861) 9.633 15.296 ( 3.900 10.160 -4.567) 11.803 15.563 ( -0.805 -2.510 -2.702) 3.775 15.666 ( 1.612 -3.078 -0.385) 3.496 15.802 ( 2.230 1.524 1.245) 2.974 15.844 ( -1.399 1.349 -1.112) 2.239 16.018 ( -1.439 0.606 -0.912) 1.808 16.197 ( 0.865 -6.750 -1.185) 6.908 16.420 ( 3.917 -4.073 -2.264) 6.087 16.499 ( -0.126 -3.669 -2.806) 4.621 16.881 ( -0.615 8.555 1.643) 8.733 17.038 ( -1.575 5.133 1.507) 5.576 17.430 ( 3.512 -2.687 1.078) 4.552 17.561 ( 7.890 -0.041 0.310) 7.896 17.668 ( -4.028 -0.460 0.952) 4.164 17.822 ( 2.010 1.041 3.652) 4.297 18.431 ( 3.106 -0.194 1.256) 3.356 18.436 ( -4.612 0.556 -2.071) 5.086 18.895 ( -2.927 0.083 0.527) 2.975 19.030 ( 2.437 -3.181 2.001) 4.479 24.954 ( 0.534 -0.104 0.391) 0.670 24.963 ( 0.319 -0.123 0.927) 0.988 25.060 ( 0.593 2.405 0.007) 2.477 25.233 ( -0.224 -1.983 -1.137) 2.297 26.398 ( 1.273 0.249 0.352) 1.344 26.428 ( 1.711 0.040 0.762) 1.873 26.547 ( -0.331 3.402 -0.520) 3.457 26.822 ( 0.727 -2.727 -0.363) 2.845 27.122 ( 2.069 -0.993 0.342) 2.320 27.279 ( 0.597 -2.749 3.094) 4.181 27.416 ( 6.392 5.589 3.912) 9.348 27.801 ( 4.830 -3.292 2.892) 6.522 27.979 ( -6.634 5.821 -4.807) 10.050 28.086 ( 1.519 6.954 2.985) 7.718 28.480 ( -7.688 -4.578 -8.823) 12.566 28.719 ( 0.646 -6.455 1.485) 6.655 ======================= Grid point 26 (15/159) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.000 38.292 0.000) 38.292 1.668 ( 0.000 43.857 0.000) 43.857 2.193 ( 0.000 -31.113 0.000) 31.113 2.471 ( 0.000 -41.600 0.000) 41.600 2.957 ( 0.000 68.878 0.000) 68.878 4.017 ( 0.000 -35.693 0.000) 35.693 4.242 ( 0.000 19.602 0.000) 19.602 4.632 ( 0.000 -20.359 0.000) 20.359 4.727 ( 0.000 0.344 0.000) 0.344 4.868 ( 0.000 -3.233 0.000) 3.233 5.324 ( 0.000 30.763 0.000) 30.763 5.567 ( 0.000 29.619 0.000) 29.619 5.872 ( 0.000 -24.664 0.000) 24.664 6.082 ( 0.000 15.324 0.000) 15.324 6.182 ( 0.000 -32.928 0.000) 32.928 6.423 ( 0.000 8.576 0.000) 8.576 6.441 ( 0.000 -19.984 0.000) 19.984 6.653 ( 0.000 -12.107 0.000) 12.107 7.033 ( 0.000 14.609 0.000) 14.609 7.363 ( 0.000 -16.975 0.000) 16.975 7.848 ( 0.000 -1.208 0.000) 1.208 7.913 ( 0.000 -4.855 0.000) 4.855 8.479 ( 0.000 9.024 0.000) 9.024 8.597 ( 0.000 -3.970 0.000) 3.970 8.904 ( 0.000 10.657 0.000) 10.657 9.022 ( 0.000 2.694 0.000) 2.694 9.024 ( 0.000 -3.454 0.000) 3.454 9.065 ( 0.000 -1.006 0.000) 1.006 9.346 ( 0.000 9.797 0.000) 9.797 9.674 ( 0.000 -21.663 0.000) 21.663 9.749 ( 0.000 -0.874 0.000) 0.874 9.778 ( 0.000 -3.638 0.000) 3.638 10.325 ( 0.000 10.221 0.000) 10.221 10.534 ( 0.000 -9.953 0.000) 9.953 10.795 ( 0.000 15.548 0.000) 15.548 11.051 ( 0.000 -10.597 0.000) 10.597 11.094 ( 0.000 10.591 0.000) 10.591 11.287 ( 0.000 -10.744 0.000) 10.744 11.447 ( 0.000 7.566 0.000) 7.566 11.544 ( 0.000 -2.643 0.000) 2.643 11.718 ( 0.000 4.458 0.000) 4.458 11.785 ( 0.000 -3.132 0.000) 3.132 12.198 ( 0.000 9.754 0.000) 9.754 12.317 ( 0.000 -4.301 0.000) 4.301 12.328 ( 0.000 11.149 0.000) 11.149 12.374 ( 0.000 2.596 0.000) 2.596 12.418 ( 0.000 -2.093 0.000) 2.093 12.529 ( 0.000 -7.891 0.000) 7.891 13.246 ( 0.000 9.611 0.000) 9.611 13.324 ( 0.000 -2.923 0.000) 2.923 13.406 ( 0.000 2.287 0.000) 2.287 13.625 ( 0.000 -15.690 0.000) 15.690 13.878 ( 0.000 3.485 0.000) 3.485 13.982 ( 0.000 -7.913 0.000) 7.913 14.017 ( 0.000 20.902 0.000) 20.902 14.306 ( 0.000 -5.901 0.000) 5.901 14.735 ( 0.000 18.387 0.000) 18.387 14.827 ( 0.000 0.414 0.000) 0.414 14.827 ( 0.000 -0.311 0.000) 0.311 14.857 ( 0.000 3.557 0.000) 3.557 14.921 ( 0.000 -2.196 0.000) 2.196 14.956 ( 0.000 -10.687 0.000) 10.687 15.263 ( 0.000 1.116 0.000) 1.116 15.486 ( 0.000 -11.585 0.000) 11.585 15.641 ( 0.000 -1.743 0.000) 1.743 15.663 ( 0.000 -12.102 0.000) 12.102 16.157 ( 0.000 7.793 0.000) 7.793 16.289 ( 0.000 -6.157 0.000) 6.157 16.582 ( 0.000 5.868 0.000) 5.868 16.669 ( 0.000 -3.338 0.000) 3.338 16.888 ( 0.000 1.592 0.000) 1.592 16.919 ( 0.000 -1.632 0.000) 1.632 17.060 ( 0.000 0.349 0.000) 0.349 17.066 ( 0.000 -0.427 0.000) 0.427 17.445 ( 0.000 10.013 0.000) 10.013 17.599 ( 0.000 -6.609 0.000) 6.609 18.155 ( 0.000 3.451 0.000) 3.451 18.213 ( 0.000 -2.695 0.000) 2.695 19.046 ( 0.000 9.792 0.000) 9.792 19.225 ( 0.000 -8.704 0.000) 8.704 24.639 ( 0.000 0.480 0.000) 0.480 24.654 ( 0.000 -1.117 0.000) 1.117 25.026 ( 0.000 5.998 0.000) 5.998 25.132 ( 0.000 -5.083 0.000) 5.083 25.884 ( 0.000 0.977 0.000) 0.977 25.899 ( 0.000 -0.566 0.000) 0.566 26.417 ( 0.000 -0.136 0.000) 0.136 26.418 ( 0.000 -0.124 0.000) 0.124 26.526 ( 0.000 -0.186 0.000) 0.186 26.527 ( 0.000 -0.150 0.000) 0.150 27.095 ( 0.000 2.800 0.000) 2.800 27.149 ( 0.000 -2.777 0.000) 2.777 27.289 ( 0.000 5.653 0.000) 5.653 27.399 ( 0.000 -5.728 0.000) 5.728 30.379 ( 0.000 3.723 0.000) 3.723 30.449 ( 0.000 -3.538 0.000) 3.538 ======================= Grid point 27 (16/159) ======================= q-point: ( 0.08 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 15.266 35.659 6.856) 39.391 1.878 ( 15.567 35.652 13.580) 41.204 2.342 ( 12.886 -29.925 6.792) 33.282 2.566 ( 5.869 -37.238 8.419) 38.626 3.284 ( 24.275 59.924 20.262) 67.755 4.172 ( 12.700 -23.114 7.185) 27.335 4.371 ( 2.936 15.474 11.938) 19.763 4.694 ( 0.852 -11.584 4.305) 12.387 4.730 ( -2.003 -0.360 -0.275) 2.054 4.887 ( 3.425 -16.100 10.793) 19.683 5.276 ( -5.493 31.923 -0.886) 32.404 5.487 ( -10.757 20.790 4.367) 23.812 5.822 ( -2.014 -12.751 -6.246) 14.341 5.979 ( 0.740 -0.452 -9.850) 9.888 6.142 ( -9.533 -26.044 2.707) 27.866 6.253 ( 1.922 -18.495 -13.463) 22.956 6.630 ( 5.717 12.222 13.074) 18.788 6.834 ( -1.077 -3.949 11.013) 11.749 7.087 ( 0.587 6.260 10.971) 12.645 7.323 ( -7.171 -13.361 4.329) 15.770 7.790 ( -14.376 -2.084 1.207) 14.576 7.809 ( -8.087 -5.747 1.975) 10.116 8.242 ( -22.385 8.644 -5.546) 24.629 8.363 ( -23.210 -4.791 -6.524) 24.581 8.800 ( -2.350 6.201 -3.825) 7.655 8.891 ( 2.628 -4.113 -5.893) 7.652 9.098 ( -0.402 9.935 -3.082) 10.410 9.189 ( 5.385 0.461 -3.860) 6.642 9.285 ( -3.037 1.817 -2.556) 4.365 9.463 ( -14.065 -11.809 -6.326) 19.424 9.727 ( -3.788 1.717 1.872) 4.561 9.864 ( -1.558 -13.310 5.538) 14.500 10.332 ( -2.897 7.130 5.182) 9.278 10.465 ( -6.962 -4.699 1.162) 8.480 10.830 ( -1.510 10.314 -0.188) 10.426 11.008 ( -0.700 -3.636 1.168) 3.883 11.196 ( 10.415 0.851 -5.868) 11.985 11.259 ( 1.955 -4.213 -2.701) 5.373 11.394 ( -3.485 5.998 -3.783) 7.901 11.456 ( -5.259 -0.570 -5.654) 7.743 11.745 ( 1.519 2.494 -1.965) 3.520 11.763 ( -0.372 0.305 -1.142) 1.239 12.130 ( 0.147 2.725 -0.331) 2.749 12.200 ( -1.691 -4.736 -2.062) 5.435 12.371 ( 7.508 13.592 -2.704) 15.761 12.549 ( 6.903 -3.538 0.260) 7.761 12.604 ( 11.789 3.643 3.069) 12.715 12.735 ( 17.967 -12.131 2.433) 21.815 13.228 ( 9.063 7.589 -5.937) 13.228 13.373 ( 10.211 -6.040 -5.054) 12.895 13.551 ( 6.990 4.301 5.745) 10.018 13.682 ( -1.633 -8.265 8.884) 12.244 13.923 ( -1.278 8.566 2.317) 8.966 13.952 ( 1.608 7.426 4.648) 8.907 14.135 ( 5.388 -5.599 10.111) 12.752 14.252 ( -3.930 -5.655 -2.153) 7.215 14.636 ( -5.745 10.551 -2.171) 12.208 14.780 ( -1.196 -3.138 -3.626) 4.943 14.841 ( -1.398 0.951 -7.676) 7.860 14.902 ( 2.870 3.229 1.087) 4.455 14.938 ( 3.042 -3.504 -3.077) 5.568 14.964 ( 2.890 -0.818 3.326) 4.481 15.239 ( 1.216 4.775 -0.596) 4.964 15.498 ( -0.494 -13.657 1.051) 13.706 15.648 ( 5.348 -2.532 -7.364) 9.447 15.683 ( 13.542 -7.694 -13.030) 20.307 16.147 ( -0.663 6.645 2.641) 7.181 16.268 ( -1.633 -6.110 0.314) 6.332 16.613 ( 3.717 6.988 -4.720) 9.216 16.693 ( 3.068 -0.956 -0.628) 3.275 16.938 ( 3.726 0.029 -4.268) 5.665 16.952 ( 3.819 -1.890 0.300) 4.271 17.052 ( -0.657 1.893 2.779) 3.426 17.091 ( 2.756 -2.247 3.085) 4.708 17.399 ( -2.522 11.358 -2.241) 11.848 17.568 ( -2.530 -6.685 -1.026) 7.221 18.142 ( -1.529 7.083 2.904) 7.806 18.232 ( -2.154 -2.766 3.751) 5.134 19.004 ( -10.586 6.173 8.822) 15.099 19.146 ( -9.350 -7.920 0.844) 12.282 24.661 ( 1.708 0.428 1.206) 2.134 24.676 ( 1.981 -1.176 0.920) 2.480 25.035 ( 1.656 6.299 -0.474) 6.530 25.146 ( 2.002 -5.297 -0.429) 5.679 25.910 ( 2.792 1.204 0.902) 3.172 25.933 ( 1.993 -1.094 2.712) 3.539 26.426 ( 2.740 1.199 0.660) 3.063 26.472 ( 1.832 -3.513 3.704) 5.424 26.609 ( 8.840 2.472 -1.039) 9.237 26.670 ( 12.280 -4.995 2.135) 13.428 27.030 ( -0.718 1.093 -6.032) 6.172 27.062 ( -0.586 -2.250 -5.246) 5.738 27.454 ( 6.357 6.095 12.366) 15.182 27.573 ( 7.163 -6.183 14.106) 16.986 30.188 ( -17.339 6.323 -10.311) 21.141 30.250 ( -10.585 -1.041 -11.589) 15.729 ======================= Grid point 28 (17/159) ======================= q-point: ( 0.15 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 23.050 29.851 10.925) 39.265 2.395 ( 24.915 24.687 17.233) 39.079 2.698 ( 17.726 -29.232 10.618) 35.798 2.873 ( 17.167 -25.431 13.357) 33.464 4.045 ( 26.929 35.332 27.592) 52.296 4.340 ( -6.943 1.149 2.947) 7.630 4.506 ( 5.427 8.290 -0.514) 9.921 4.720 ( 9.921 -0.556 10.527) 14.476 4.883 ( 2.649 4.490 7.701) 9.300 5.180 ( 0.276 9.917 10.241) 14.258 5.219 ( 0.750 -12.103 12.921) 17.720 5.420 ( -3.403 -0.289 11.838) 12.321 5.680 ( 1.134 -3.131 -14.209) 14.594 5.911 ( -6.521 -16.012 1.902) 17.393 5.977 ( -0.982 1.151 -5.601) 5.802 6.255 ( 0.319 -21.584 2.607) 21.743 6.681 ( -11.626 8.995 4.165) 15.278 6.776 ( -14.400 -0.591 -0.979) 14.446 7.238 ( -3.262 6.274 12.097) 14.012 7.372 ( -2.945 -7.866 15.453) 17.588 7.470 ( -24.933 11.842 -0.300) 27.604 7.647 ( -15.588 2.779 -1.408) 15.896 7.807 ( -24.443 -4.034 -4.955) 25.264 7.999 ( -10.126 -21.588 0.488) 23.850 8.694 ( -9.026 12.173 -3.484) 15.549 8.860 ( -3.878 -2.835 -4.533) 6.605 8.944 ( -4.072 3.018 -4.345) 6.676 9.081 ( -16.689 -7.155 -6.411) 19.257 9.171 ( -0.108 3.126 -4.117) 5.170 9.277 ( -6.158 -4.588 1.433) 7.812 9.668 ( -5.058 3.192 -0.347) 5.991 9.804 ( -12.237 -10.694 3.850) 16.701 10.404 ( -0.344 1.044 9.310) 9.375 10.428 ( -0.616 -0.511 6.097) 6.149 10.778 ( -1.206 10.247 -1.687) 10.454 10.969 ( -3.186 -7.943 -2.552) 8.931 11.194 ( -4.622 0.951 -6.880) 8.343 11.203 ( -3.254 0.071 -6.568) 7.330 11.334 ( 0.583 4.505 -6.153) 7.648 11.352 ( 7.958 2.810 -7.798) 11.491 11.716 ( -0.700 1.673 -2.707) 3.259 11.725 ( -1.690 0.649 -2.284) 2.915 12.199 ( 3.836 -0.246 3.103) 4.940 12.223 ( 3.128 -2.871 1.796) 4.610 12.456 ( 10.197 14.172 -4.358) 17.995 12.662 ( 8.171 -7.649 -1.729) 11.325 12.709 ( 4.120 7.086 -3.343) 8.853 12.942 ( 10.327 -17.700 -4.234) 20.925 13.377 ( 16.001 6.254 -7.469) 18.732 13.468 ( 10.968 -2.368 -10.372) 15.280 13.668 ( 2.470 5.087 2.881) 6.346 13.743 ( -2.819 -3.314 6.567) 7.878 13.966 ( 0.360 2.607 7.439) 7.891 14.090 ( -4.428 -4.400 8.085) 10.215 14.195 ( 9.088 8.785 -0.700) 12.659 14.369 ( 9.402 -6.512 -1.586) 11.546 14.537 ( -5.463 7.388 4.756) 10.346 14.682 ( 0.072 -6.913 -6.628) 9.577 14.811 ( -0.061 4.170 1.815) 4.549 14.889 ( -2.544 -5.522 -0.332) 6.089 14.949 ( 1.042 7.029 3.007) 7.716 15.067 ( 7.004 -1.930 1.156) 7.357 15.306 ( 6.198 3.568 -1.858) 7.389 15.495 ( 2.164 -13.559 -3.328) 14.128 15.651 ( 18.055 4.993 -18.925) 26.628 15.782 ( 18.258 -8.529 -12.775) 23.860 16.196 ( 1.211 2.862 2.797) 4.181 16.244 ( -1.041 -2.323 -1.629) 3.022 16.575 ( -1.097 8.811 -2.947) 9.356 16.706 ( 0.345 -3.469 -3.215) 4.742 16.884 ( 0.584 6.465 -6.564) 9.231 16.997 ( 4.988 -4.839 -2.064) 7.249 17.113 ( -1.871 3.585 7.653) 8.655 17.186 ( -0.500 -2.742 3.912) 4.803 17.407 ( 5.763 4.836 1.672) 7.707 17.516 ( -2.280 -5.484 -0.665) 5.976 18.198 ( 0.886 5.000 6.704) 8.410 18.236 ( -1.811 0.745 3.095) 3.662 18.968 ( -8.447 -0.218 9.600) 12.789 19.010 ( -10.047 -4.106 2.963) 11.250 24.717 ( 2.716 0.360 2.128) 3.469 24.730 ( 2.805 -1.173 1.699) 3.483 25.064 ( 2.723 6.447 -0.656) 7.029 25.178 ( 2.882 -5.476 -0.847) 6.245 25.991 ( 5.148 1.418 1.976) 5.694 26.020 ( 4.456 -1.698 3.283) 5.789 26.517 ( 6.948 2.354 1.886) 7.575 26.576 ( 6.375 -3.613 2.998) 7.917 26.704 ( 4.952 4.891 -3.290) 7.699 26.793 ( 4.199 -4.359 -3.225) 6.858 27.009 ( 2.683 0.062 -0.848) 2.815 27.062 ( 5.330 -5.654 1.631) 7.940 27.719 ( 7.250 7.650 11.818) 15.835 27.873 ( 7.775 -7.932 14.350) 18.146 29.734 ( -19.126 11.768 -14.183) 26.560 29.884 ( -15.844 -4.932 -14.118) 21.787 ======================= Grid point 29 (18/159) ======================= q-point: ( 0.23 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 26.703 23.576 11.747) 37.509 2.997 ( 22.229 10.155 17.470) 30.041 3.143 ( 22.547 -15.492 14.218) 30.831 3.378 ( 24.414 -18.881 13.806) 33.810 4.192 ( -11.581 4.080 -0.357) 12.284 4.245 ( -8.283 -2.158 1.142) 8.636 4.780 ( 4.145 11.621 -8.693) 15.093 4.904 ( 7.660 2.597 -2.397) 8.437 5.091 ( 8.177 15.612 18.255) 25.374 5.179 ( -12.519 1.572 8.982) 15.488 5.358 ( 0.364 4.156 11.687) 12.409 5.590 ( 6.090 -5.312 -5.105) 9.559 5.705 ( 3.258 -7.202 13.383) 15.543 5.916 ( -4.642 -9.203 17.091) 19.959 6.014 ( 11.181 0.069 0.154) 11.183 6.219 ( -1.710 -11.417 -6.656) 13.326 6.475 ( -19.275 2.515 1.071) 19.467 6.551 ( -12.793 -5.248 8.051) 16.001 7.029 ( -23.585 15.497 0.245) 28.222 7.179 ( -16.627 3.155 -0.088) 16.924 7.374 ( -13.394 6.546 7.105) 16.514 7.496 ( -12.970 -11.524 9.259) 19.667 7.595 ( -0.643 3.532 8.169) 8.923 7.947 ( -4.857 -25.366 4.647) 26.242 8.431 ( -15.935 17.005 -2.706) 23.462 8.707 ( -7.397 -7.636 -5.654) 12.041 8.755 ( -15.013 3.373 -1.287) 15.441 8.897 ( -6.906 -7.207 2.108) 10.202 9.122 ( 2.657 3.921 -5.791) 7.481 9.201 ( -4.386 -2.813 0.091) 5.211 9.588 ( -5.549 1.200 1.220) 5.807 9.672 ( -11.032 -7.282 7.103) 15.007 10.490 ( -2.862 4.045 9.264) 10.506 10.564 ( 0.540 -2.922 8.724) 9.217 10.767 ( 1.200 8.682 -0.397) 8.773 10.866 ( -3.336 -2.086 -4.743) 6.162 11.020 ( -3.846 1.070 -6.289) 7.448 11.079 ( -3.628 -3.429 -5.480) 7.413 11.245 ( -2.539 6.414 -3.107) 7.566 11.348 ( 2.294 -3.910 -7.285) 8.580 11.676 ( 0.454 1.400 -2.867) 3.223 11.683 ( 0.226 0.817 -2.266) 2.420 12.257 ( 0.242 2.898 -0.450) 2.943 12.273 ( 1.243 1.092 1.870) 2.496 12.612 ( 5.953 4.100 0.991) 7.296 12.672 ( 6.040 5.359 -5.061) 9.530 12.789 ( 8.352 -1.995 -4.048) 9.493 13.011 ( 11.395 -17.345 -9.490) 22.820 13.410 ( 6.246 2.970 -10.884) 12.895 13.475 ( 6.055 -3.647 -12.711) 14.544 13.721 ( 2.487 4.436 -0.167) 5.088 13.779 ( -1.970 -1.326 5.712) 6.186 13.984 ( -6.578 1.257 2.965) 7.324 14.072 ( 0.780 -5.012 -1.533) 5.299 14.395 ( 10.246 11.960 0.117) 15.749 14.430 ( 7.646 4.726 -0.457) 9.000 14.534 ( -6.710 -0.242 0.867) 6.770 14.644 ( 2.495 -3.096 0.407) 3.997 14.849 ( 1.683 -0.302 1.721) 2.426 14.931 ( 2.573 -3.757 1.687) 4.856 15.035 ( 3.945 8.480 5.129) 10.667 15.215 ( 9.611 -6.307 2.081) 11.683 15.369 ( 9.409 4.523 -5.505) 11.802 15.501 ( 8.063 -10.581 -7.561) 15.301 15.721 ( 13.822 6.247 -13.990) 20.635 15.870 ( 10.644 -7.889 -12.447) 18.178 16.209 ( 0.961 1.465 -2.958) 3.438 16.258 ( 4.629 -2.565 1.176) 5.421 16.515 ( -1.109 6.568 -4.497) 8.037 16.643 ( 0.563 -5.896 -6.175) 8.557 16.856 ( -0.724 11.202 1.401) 11.313 17.039 ( -0.950 -7.225 2.154) 7.598 17.104 ( -2.714 6.237 0.737) 6.842 17.239 ( 0.597 -6.812 4.710) 8.303 17.506 ( 2.508 1.528 -0.482) 2.976 17.539 ( 6.902 -1.882 1.314) 7.274 18.259 ( -0.143 5.505 5.005) 7.441 18.337 ( 4.149 -2.251 7.839) 9.151 18.916 ( -7.172 1.040 3.365) 7.990 18.963 ( -5.895 -3.583 6.949) 9.791 24.791 ( 2.894 0.070 2.779) 4.013 24.799 ( 2.910 -0.845 2.161) 3.722 25.095 ( 2.421 6.246 -0.954) 6.767 25.206 ( 2.350 -5.352 -1.449) 6.022 26.110 ( 6.626 1.451 2.417) 7.201 26.141 ( 5.828 -1.739 3.034) 6.797 26.672 ( 7.777 1.771 -0.090) 7.977 26.696 ( 3.416 5.263 -1.373) 6.422 26.716 ( 7.144 -2.624 -1.780) 7.816 26.805 ( 1.266 -5.916 3.340) 6.911 27.095 ( 6.643 4.491 2.079) 8.284 27.204 ( 7.090 -6.395 4.147) 10.410 27.930 ( 3.927 10.471 8.392) 13.981 28.131 ( 4.969 -10.124 11.350) 16.000 29.288 ( -16.624 10.774 -13.700) 24.086 29.453 ( -16.223 -6.850 -14.988) 23.125 ======================= Grid point 30 (19/159) ======================= q-point: ( 0.31 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 16.658 18.742 8.297) 26.412 3.413 ( 7.600 -2.546 13.099) 15.356 3.706 ( 15.990 1.717 13.417) 20.944 3.790 ( 6.151 -11.124 4.653) 13.536 4.075 ( 0.463 1.754 5.401) 5.698 4.168 ( 2.993 -6.165 3.319) 7.614 4.681 ( 5.895 2.458 -14.917) 16.227 4.767 ( 0.845 -4.712 -11.376) 12.342 5.090 ( -10.633 5.090 7.264) 13.846 5.186 ( -6.263 -2.041 4.072) 7.744 5.479 ( 3.435 1.679 1.467) 4.096 5.595 ( 1.195 -3.053 -10.052) 10.573 5.911 ( -11.911 4.943 2.744) 13.185 5.936 ( -10.377 4.365 5.068) 12.346 6.059 ( -10.337 -3.698 10.917) 15.483 6.088 ( -10.615 -10.453 6.372) 16.203 6.357 ( 0.593 10.978 1.164) 11.056 6.567 ( 0.334 -10.315 9.960) 14.343 6.927 ( -4.728 2.487 9.010) 10.475 6.959 ( -2.968 -0.438 5.754) 6.489 7.304 ( -8.458 12.783 7.911) 17.249 7.555 ( 1.875 4.046 10.827) 11.709 7.609 ( -8.391 -4.704 5.807) 11.236 7.932 ( -2.727 -20.219 2.016) 20.501 8.234 ( -9.593 14.928 5.894) 18.697 8.474 ( -13.968 -6.635 0.815) 15.486 8.621 ( -3.815 7.094 -0.403) 8.065 8.796 ( -8.252 -7.170 3.086) 11.359 9.070 ( -2.636 3.947 -4.945) 6.854 9.159 ( -0.675 -5.566 -2.522) 6.147 9.535 ( -5.679 4.693 6.232) 9.649 9.656 ( -4.919 -6.071 8.894) 11.839 10.476 ( -9.059 3.528 4.081) 10.544 10.543 ( -10.785 -2.692 2.333) 11.358 10.786 ( -2.811 5.662 3.522) 7.236 10.829 ( -0.872 0.354 0.600) 1.116 10.933 ( -1.049 3.423 -7.908) 8.681 10.990 ( 3.961 -3.254 0.946) 5.213 11.252 ( 1.986 -0.269 2.169) 2.953 11.299 ( 1.876 -5.025 -2.513) 5.923 11.661 ( 1.277 3.005 -1.607) 3.640 11.696 ( 3.381 -1.115 0.325) 3.575 12.230 ( 1.157 7.219 -5.035) 8.877 12.306 ( 1.475 -0.671 0.795) 1.805 12.553 ( -3.685 2.841 -4.876) 6.740 12.695 ( -1.340 -10.230 -5.997) 11.934 12.882 ( 10.061 4.934 -7.489) 13.478 13.025 ( 8.896 -9.910 -18.188) 22.542 13.393 ( 3.548 3.101 -4.971) 6.849 13.464 ( 5.861 -3.928 5.610) 9.014 13.751 ( 2.062 1.687 -0.336) 2.685 13.802 ( -2.860 -3.374 4.484) 6.298 13.947 ( 2.788 6.826 -2.704) 7.854 14.065 ( 3.611 -3.284 -5.072) 7.039 14.391 ( -5.856 9.332 1.129) 11.075 14.510 ( 0.847 0.026 -1.411) 1.646 14.568 ( 4.745 4.609 2.231) 6.981 14.695 ( 6.490 0.283 -2.260) 6.878 14.868 ( 1.589 -4.663 -3.971) 6.327 14.932 ( -0.999 -2.154 -2.592) 3.515 15.171 ( 4.692 8.867 4.263) 10.900 15.373 ( 7.480 -7.644 -0.024) 10.695 15.478 ( 11.494 3.103 -4.961) 12.897 15.563 ( 9.881 -4.292 -6.773) 12.725 15.736 ( 5.892 1.616 -5.690) 8.348 15.815 ( 1.240 -5.652 -7.974) 9.853 16.180 ( -0.796 3.890 -3.795) 5.492 16.305 ( -2.112 -7.841 -2.390) 8.465 16.458 ( 5.275 7.866 -7.958) 12.371 16.577 ( 3.679 -4.068 -11.791) 13.004 16.886 ( -0.393 7.337 6.022) 9.500 17.008 ( -2.746 -4.852 2.344) 6.048 17.164 ( 4.155 6.232 5.119) 9.072 17.306 ( 1.400 -8.156 4.921) 9.628 17.569 ( 4.899 4.121 0.251) 6.407 17.641 ( 5.365 -3.318 0.174) 6.310 18.339 ( 1.555 7.718 5.552) 9.633 18.485 ( 1.943 -7.471 6.578) 10.142 18.868 ( -3.379 4.170 2.795) 6.051 18.948 ( -4.468 -4.118 3.843) 7.189 24.867 ( 2.365 -0.181 2.758) 3.638 24.868 ( 2.443 -0.389 2.222) 3.326 25.113 ( 1.563 5.504 -1.156) 5.837 25.212 ( 1.164 -4.864 -1.987) 5.382 26.243 ( 6.608 1.079 2.194) 7.045 26.263 ( 5.600 -1.058 2.281) 6.139 26.655 ( 0.554 3.428 -2.952) 4.558 26.728 ( 1.823 -4.208 -3.089) 5.529 26.876 ( 8.943 3.200 4.594) 10.551 26.956 ( 6.538 -4.938 6.602) 10.522 27.239 ( 7.842 7.238 2.890) 11.056 27.373 ( 7.882 -6.458 4.643) 11.198 28.049 ( 0.785 13.065 5.923) 14.366 28.293 ( 0.718 -12.166 7.831) 14.487 28.893 ( -13.341 8.498 -12.956) 20.447 29.040 ( -13.851 -6.911 -14.401) 21.143 ======================= Grid point 31 (20/159) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -16.684 11.113 1.599) 20.109 3.367 ( -21.904 -7.350 -1.933) 23.185 3.799 ( 7.199 8.516 2.093) 11.346 3.882 ( -4.049 2.474 -0.938) 4.837 4.350 ( 17.333 0.154 6.700) 18.583 4.445 ( 14.933 -5.682 3.260) 16.307 4.749 ( 16.015 -2.287 -3.525) 16.557 4.788 ( 10.845 -7.886 -4.891) 14.273 5.100 ( 4.307 6.740 5.620) 9.775 5.239 ( 5.451 -6.090 6.975) 10.745 5.371 ( -4.423 6.639 -10.707) 13.352 5.483 ( -5.992 -4.115 1.762) 7.479 5.656 ( -10.324 4.332 4.035) 11.901 5.855 ( -2.974 -14.541 1.670) 14.935 6.032 ( -13.942 0.106 13.888) 19.679 6.070 ( -13.872 -3.278 13.857) 19.879 6.314 ( -0.551 7.019 -9.610) 11.913 6.513 ( -6.284 -11.696 -8.822) 15.941 6.896 ( -8.424 3.757 -1.805) 9.399 7.002 ( -8.806 -6.444 -1.032) 10.960 7.374 ( 1.751 18.608 9.929) 21.164 7.561 ( -3.510 3.736 8.997) 10.355 7.757 ( 7.735 2.607 5.418) 9.797 7.931 ( 1.558 -10.008 0.712) 10.153 8.274 ( -0.344 5.803 9.959) 11.532 8.376 ( -7.192 -1.609 11.817) 13.926 8.621 ( 0.296 6.979 4.105) 8.102 8.743 ( -4.966 -3.014 3.992) 7.049 8.940 ( -6.300 2.630 -3.398) 7.626 9.063 ( -5.018 -9.248 -4.973) 11.638 9.580 ( -0.558 9.533 7.199) 11.959 9.695 ( -2.632 -0.670 6.430) 6.980 10.361 ( -9.665 1.233 1.002) 9.795 10.404 ( -6.717 -3.965 1.448) 7.934 10.718 ( -7.934 1.821 1.775) 8.332 10.778 ( -5.465 -2.580 2.728) 6.631 10.945 ( 6.545 5.390 -3.333) 9.111 11.074 ( 2.781 -5.269 1.069) 6.053 11.305 ( 3.974 1.638 1.894) 4.698 11.369 ( 3.660 -5.087 2.744) 6.841 11.695 ( 3.482 5.641 1.458) 6.787 11.786 ( 3.700 -3.978 4.341) 6.954 12.180 ( 1.157 8.081 -6.820) 10.638 12.339 ( 2.609 -7.728 -1.645) 8.321 12.419 ( -3.022 4.558 -6.712) 8.658 12.562 ( -3.975 -8.789 -6.468) 11.614 12.848 ( 2.556 -3.991 -11.696) 12.620 12.866 ( 1.437 -6.437 -16.230) 17.519 13.496 ( 4.460 11.191 5.976) 13.448 13.655 ( 4.071 -4.824 8.520) 10.603 13.784 ( 2.800 -0.246 -0.441) 2.845 13.813 ( -1.835 -2.648 3.638) 4.859 14.020 ( 8.723 7.460 0.441) 11.486 14.069 ( 3.851 3.133 -2.588) 5.599 14.345 ( -3.068 7.758 3.176) 8.926 14.462 ( 0.372 2.977 -5.832) 6.559 14.636 ( -1.398 -2.584 4.063) 5.014 14.752 ( 3.365 -7.551 -4.898) 9.609 14.798 ( 0.103 0.094 -6.806) 6.808 14.879 ( -0.030 -2.863 -2.784) 3.993 15.256 ( 0.918 9.372 1.361) 9.514 15.415 ( 5.182 -0.436 -7.462) 9.096 15.559 ( 4.462 -6.403 -2.647) 8.241 15.571 ( 4.233 -3.783 -9.971) 11.474 15.780 ( 4.817 3.658 0.526) 6.072 15.844 ( 5.607 -2.496 0.638) 6.171 16.079 ( -4.743 2.040 -4.714) 6.992 16.159 ( -8.252 -3.692 -3.681) 9.761 16.444 ( 3.355 2.137 -7.150) 8.182 16.489 ( 3.966 -1.755 -10.391) 11.260 16.971 ( 1.048 5.556 5.523) 7.904 17.043 ( 0.678 -2.105 4.405) 4.929 17.313 ( 5.965 3.689 4.703) 8.444 17.405 ( 4.343 -5.221 3.032) 7.437 17.653 ( 4.632 3.426 1.489) 5.951 17.720 ( 3.921 -3.207 1.704) 5.345 18.415 ( 0.429 5.445 3.486) 6.479 18.514 ( -4.425 -4.590 1.661) 6.588 18.894 ( 1.062 0.830 3.176) 3.450 18.927 ( -1.915 -2.238 1.685) 3.394 24.923 ( 1.638 -0.020 1.645) 2.321 24.926 ( 1.394 -0.255 2.158) 2.581 25.118 ( 0.829 4.360 -1.003) 4.550 25.198 ( 0.260 -4.021 -1.885) 4.449 26.354 ( 4.507 0.544 1.280) 4.716 26.362 ( 4.204 -0.335 1.548) 4.492 26.636 ( 0.278 4.428 -1.247) 4.609 26.728 ( 1.519 -5.198 -1.155) 5.537 27.047 ( 6.056 2.757 3.781) 7.653 27.118 ( 4.399 -4.308 5.465) 8.233 27.402 ( 8.109 8.667 3.271) 12.311 27.552 ( 7.941 -7.080 4.255) 11.458 28.117 ( -0.228 12.118 5.423) 13.278 28.309 ( -7.550 -6.595 0.966) 10.071 28.605 ( -4.925 1.518 -8.071) 9.577 28.689 ( -10.130 -5.716 -12.374) 16.982 ======================= Grid point 32 (21/159) ======================= q-point: ( 0.46 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -9.930 5.365 -0.097) 11.287 3.039 ( -11.659 -4.566 -2.153) 12.705 3.752 ( -3.145 11.912 -2.419) 12.555 3.880 ( -0.115 -0.711 -1.048) 1.271 4.579 ( 8.250 0.056 0.260) 8.254 4.623 ( 3.553 -2.480 0.734) 4.395 4.844 ( 2.954 -0.692 -2.883) 4.185 4.898 ( 5.041 -3.155 -1.660) 6.174 5.232 ( 2.303 12.628 1.155) 12.888 5.417 ( 14.466 1.633 1.585) 14.644 5.458 ( 5.630 -6.563 6.980) 11.112 5.557 ( 6.245 -8.251 9.167) 13.825 5.657 ( -1.115 -0.667 3.558) 3.788 5.824 ( -4.381 -16.393 3.288) 17.284 5.954 ( -11.994 7.073 3.926) 14.467 6.026 ( -6.932 -0.191 11.138) 13.121 6.144 ( -1.568 -3.345 -12.723) 13.248 6.274 ( -6.088 -13.301 -10.114) 17.784 6.660 ( -8.335 4.893 -6.119) 11.439 6.814 ( -6.375 -10.806 -3.685) 13.076 7.440 ( -1.146 20.063 3.008) 20.320 7.690 ( 0.562 -4.095 7.463) 8.531 7.856 ( 3.491 11.446 -1.047) 12.012 7.965 ( 0.912 0.581 -0.229) 1.105 8.431 ( 4.218 3.147 6.821) 8.615 8.461 ( -0.728 -0.576 7.330) 7.388 8.662 ( 0.551 4.205 -0.260) 4.249 8.722 ( -3.570 1.835 3.321) 5.210 8.841 ( -2.668 -3.081 0.111) 4.077 8.932 ( -3.509 -8.249 -3.976) 9.806 9.641 ( 0.027 11.756 2.656) 12.053 9.721 ( -0.834 5.016 2.204) 5.542 10.245 ( -4.170 3.675 -0.305) 5.567 10.387 ( -0.833 -10.992 2.949) 11.411 10.661 ( -1.722 1.744 1.921) 3.114 10.712 ( -4.430 -1.955 -0.757) 4.901 10.990 ( 2.054 6.346 -0.786) 6.716 11.104 ( 1.068 -6.079 0.035) 6.172 11.402 ( 3.183 -1.446 2.439) 4.263 11.435 ( 1.091 -3.542 1.160) 3.884 11.793 ( 4.728 4.430 3.186) 7.220 11.869 ( 0.285 -3.721 2.523) 4.505 12.075 ( -2.267 8.065 -7.239) 11.072 12.296 ( -0.606 -10.210 -4.209) 11.060 12.359 ( -0.106 2.454 -1.741) 3.011 12.492 ( 0.076 -6.990 -0.082) 6.991 12.712 ( 0.123 -2.132 -7.063) 7.379 12.783 ( 0.136 -9.752 -3.647) 10.413 13.580 ( 0.593 11.220 1.615) 11.351 13.756 ( 1.309 -5.213 1.958) 5.720 13.814 ( 1.813 -0.446 -0.905) 2.075 13.831 ( -1.054 -1.056 2.548) 2.952 14.099 ( 1.241 18.299 1.846) 18.433 14.193 ( 4.279 11.723 2.711) 12.770 14.392 ( 1.196 -4.649 8.074) 9.393 14.437 ( 6.751 -0.210 -5.114) 8.472 14.598 ( -4.043 -6.120 -1.924) 7.583 14.613 ( -7.122 -11.483 -6.348) 14.929 14.794 ( 1.876 4.635 -1.633) 5.260 14.897 ( 2.050 -4.898 1.512) 5.520 15.220 ( -1.819 11.762 -3.159) 12.314 15.423 ( 3.864 -3.061 -2.378) 5.473 15.491 ( -0.491 0.619 -5.159) 5.219 15.587 ( 1.886 -5.894 -1.647) 6.404 15.850 ( 3.140 3.183 -0.777) 4.538 15.879 ( -1.006 1.342 -0.895) 1.901 15.977 ( -2.171 -0.989 -1.472) 2.803 16.058 ( -2.635 -7.254 1.763) 7.917 16.411 ( 1.572 2.016 -3.359) 4.222 16.452 ( 1.443 -1.963 -3.370) 4.159 17.033 ( 0.608 6.440 2.185) 6.828 17.093 ( 0.018 0.141 2.204) 2.209 17.414 ( 2.286 1.437 0.906) 2.848 17.485 ( 2.588 -5.397 0.503) 6.007 17.730 ( 2.242 4.763 1.101) 5.378 17.806 ( 2.668 -2.825 2.386) 4.560 18.435 ( -0.626 0.536 0.864) 1.194 18.442 ( -3.477 -0.024 -0.592) 3.527 18.909 ( -0.690 1.682 0.758) 1.970 18.961 ( 1.374 -3.693 1.207) 4.121 24.955 ( 0.560 0.175 0.641) 0.869 24.959 ( 0.449 -0.236 0.824) 0.968 25.117 ( 0.269 3.458 -0.409) 3.493 25.182 ( -0.016 -3.276 -0.807) 3.374 26.408 ( 1.411 0.828 0.388) 1.681 26.423 ( 1.677 -0.610 0.571) 1.874 26.631 ( 0.178 5.411 -0.274) 5.421 26.739 ( 0.678 -5.693 -0.277) 5.740 27.143 ( 2.031 2.916 1.414) 3.825 27.213 ( 1.452 -4.073 2.274) 4.885 27.546 ( 4.672 8.060 2.218) 9.577 27.697 ( 4.536 -7.445 2.377) 9.037 28.119 ( -6.506 8.417 -3.242) 11.121 28.219 ( 1.257 2.243 6.982) 7.440 28.406 ( -6.223 1.023 -10.410) 12.171 28.556 ( -0.066 -10.304 -0.765) 10.333 ======================= Grid point 65 (22/159) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 1.792 0.000 43.477) 43.514 0.947 ( -4.819 0.000 47.396) 47.640 1.463 ( 7.154 0.000 72.206) 72.560 2.999 ( -0.725 0.000 9.461) 9.489 3.709 ( 1.771 0.000 2.815) 3.326 3.895 ( 2.257 0.000 18.464) 18.602 4.409 ( 1.184 0.000 9.328) 9.403 4.490 ( -6.883 0.000 22.387) 23.421 4.528 ( -1.574 0.000 1.082) 1.910 4.804 ( 3.168 0.000 19.063) 19.325 5.118 ( 1.995 0.000 -10.181) 10.375 5.610 ( 3.115 0.000 8.617) 9.163 5.833 ( -0.417 0.000 -2.381) 2.417 6.253 ( 1.006 0.000 -5.607) 5.696 6.447 ( 1.730 0.000 -22.030) 22.098 6.669 ( 2.795 0.000 7.249) 7.769 6.713 ( -8.905 0.000 2.460) 9.239 6.977 ( 6.308 0.000 6.681) 9.188 7.383 ( -18.656 0.000 11.492) 21.911 7.557 ( 8.753 0.000 6.887) 11.138 7.864 ( -1.886 0.000 -8.775) 8.975 7.954 ( -0.998 0.000 -4.681) 4.786 8.447 ( 2.290 0.000 -0.050) 2.290 8.455 ( -10.567 0.000 -7.183) 12.778 8.730 ( -6.363 0.000 3.485) 7.255 8.862 ( -0.149 0.000 -4.352) 4.354 9.019 ( 4.396 0.000 -2.851) 5.240 9.096 ( -2.634 0.000 -8.232) 8.643 9.347 ( -16.227 0.000 2.546) 16.425 9.606 ( -3.253 0.000 2.976) 4.409 9.743 ( -10.914 0.000 -5.189) 12.084 10.260 ( -2.851 0.000 -3.889) 4.822 10.289 ( 9.585 0.000 1.189) 9.658 10.536 ( 11.769 0.000 -3.345) 12.235 10.547 ( 12.287 0.000 -2.559) 12.551 10.849 ( 8.111 0.000 8.769) 11.945 11.152 ( -2.002 0.000 -2.620) 3.298 11.244 ( -10.011 0.000 0.918) 10.053 11.497 ( -13.988 0.000 -2.472) 14.205 11.531 ( -1.022 0.000 3.789) 3.925 11.698 ( -14.590 0.000 8.690) 16.982 11.751 ( -5.433 0.000 -4.526) 7.071 11.832 ( 2.846 0.000 -3.277) 4.340 12.167 ( 4.708 0.000 -0.475) 4.732 12.267 ( 5.911 0.000 6.872) 9.064 12.316 ( 3.845 0.000 -8.268) 9.118 12.542 ( 2.829 0.000 -1.678) 3.289 12.806 ( 22.180 0.000 -7.037) 23.270 13.238 ( 5.142 0.000 -3.450) 6.192 13.257 ( -4.224 0.000 1.438) 4.462 13.495 ( 4.237 0.000 -0.118) 4.239 13.500 ( 6.874 0.000 2.492) 7.312 13.858 ( 3.178 0.000 3.574) 4.783 14.027 ( 0.629 0.000 1.706) 1.818 14.142 ( -6.693 0.000 -7.901) 10.355 14.226 ( 2.986 0.000 9.889) 10.330 14.486 ( 5.617 0.000 -0.741) 5.666 14.569 ( 4.886 0.000 -12.473) 13.396 14.785 ( 3.401 0.000 2.258) 4.082 14.838 ( 2.837 0.000 0.007) 2.837 15.089 ( -8.121 0.000 7.613) 11.131 15.221 ( -4.100 0.000 -10.454) 11.230 15.344 ( -10.611 0.000 -4.156) 11.396 15.363 ( -3.493 0.000 -1.428) 3.774 15.648 ( -6.896 0.000 -6.133) 9.228 15.789 ( 2.962 0.000 2.934) 4.169 16.234 ( -4.258 0.000 -3.989) 5.835 16.331 ( -0.150 0.000 -3.050) 3.054 16.393 ( 5.110 0.000 1.638) 5.367 16.573 ( -0.317 0.000 1.100) 1.144 16.615 ( -0.014 0.000 -6.255) 6.255 16.985 ( -4.801 0.000 -5.307) 7.157 17.007 ( 2.824 0.000 5.392) 6.087 17.113 ( 1.483 0.000 2.863) 3.224 17.443 ( -8.935 0.000 5.340) 10.409 17.558 ( 2.918 0.000 -1.014) 3.090 17.860 ( 0.134 0.000 10.853) 10.854 18.319 ( -3.059 0.000 5.031) 5.888 19.355 ( 18.468 0.000 -2.357) 18.618 19.360 ( -0.431 0.000 -3.994) 4.017 24.674 ( 0.107 0.000 -0.520) 0.531 24.753 ( -0.345 0.000 3.420) 3.438 24.837 ( 0.149 0.000 -1.444) 1.452 25.230 ( 0.027 0.000 -0.607) 0.607 25.866 ( 0.099 0.000 0.765) 0.771 26.292 ( -21.364 0.000 0.178) 21.365 26.337 ( 5.644 0.000 -8.910) 10.548 26.447 ( -2.818 0.000 1.265) 3.089 26.654 ( -2.726 0.000 3.358) 4.325 26.923 ( -4.761 0.000 -11.221) 12.190 27.047 ( 0.483 0.000 1.605) 1.676 27.321 ( -2.990 0.000 4.927) 5.763 27.720 ( 4.189 0.000 14.241) 14.844 27.818 ( 0.513 0.000 7.022) 7.041 28.987 ( 25.139 0.000 -3.550) 25.388 30.218 ( -5.713 0.000 -10.185) 11.678 ======================= Grid point 66 (23/159) ======================= q-point: ( 0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.653 0.000 43.061) 43.066 1.568 ( 21.031 0.000 40.130) 45.307 2.761 ( 42.212 0.000 60.998) 74.180 3.215 ( 10.402 0.000 13.924) 17.380 3.797 ( 2.954 0.000 6.272) 6.933 4.239 ( 6.939 0.000 24.131) 25.109 4.385 ( -16.280 0.000 3.806) 16.719 4.514 ( -3.772 0.000 10.540) 11.195 4.633 ( -10.329 0.000 20.348) 22.819 5.091 ( 12.336 0.000 -11.890) 17.133 5.118 ( 2.129 0.000 18.274) 18.397 5.619 ( -1.445 0.000 -6.049) 6.219 5.993 ( 5.491 0.000 21.327) 22.022 6.107 ( 0.797 0.000 -30.605) 30.616 6.204 ( 0.750 0.000 -2.776) 2.876 6.689 ( -7.292 0.000 5.377) 9.060 6.792 ( -3.952 0.000 7.822) 8.763 7.093 ( -3.231 0.000 7.997) 8.625 7.314 ( -11.399 0.000 14.769) 18.656 7.543 ( -19.210 0.000 -15.415) 24.630 7.759 ( -19.490 0.000 -10.786) 22.275 7.779 ( 7.438 0.000 8.331) 11.168 8.046 ( -14.914 0.000 -2.662) 15.150 8.467 ( 0.531 0.000 -1.240) 1.349 8.585 ( -14.631 0.000 -2.646) 14.869 8.941 ( 6.465 0.000 1.300) 6.594 9.050 ( 5.335 0.000 -5.452) 7.628 9.066 ( 8.376 0.000 -6.940) 10.877 9.345 ( 0.383 0.000 4.253) 4.270 9.401 ( -14.889 0.000 -9.602) 17.716 9.538 ( -9.048 0.000 -0.012) 9.048 10.172 ( 0.565 0.000 -5.665) 5.693 10.502 ( -13.784 0.000 0.676) 13.801 10.599 ( 21.155 0.000 1.249) 21.192 10.711 ( 6.210 0.000 2.640) 6.748 10.860 ( -25.237 0.000 5.446) 25.818 11.093 ( -1.414 0.000 0.145) 1.422 11.153 ( 5.709 0.000 -4.638) 7.355 11.233 ( -7.039 0.000 -4.885) 8.568 11.414 ( -16.903 0.000 0.085) 16.903 11.619 ( -1.036 0.000 2.778) 2.965 11.676 ( -0.419 0.000 -1.811) 1.859 11.942 ( 8.813 0.000 1.549) 8.948 12.236 ( 2.733 0.000 -8.897) 9.307 12.274 ( 5.544 0.000 -2.359) 6.025 12.498 ( 8.597 0.000 7.763) 11.583 12.617 ( 12.383 0.000 -2.683) 12.671 12.891 ( 13.779 0.000 -14.815) 20.233 13.243 ( 8.248 0.000 -12.182) 14.712 13.296 ( 8.267 0.000 0.528) 8.284 13.592 ( 6.644 0.000 0.560) 6.667 13.808 ( 8.855 0.000 0.550) 8.872 13.879 ( 9.877 0.000 -2.475) 10.182 14.047 ( -3.265 0.000 3.697) 4.932 14.057 ( 5.066 0.000 0.457) 5.086 14.325 ( -6.325 0.000 8.589) 10.666 14.475 ( -5.098 0.000 -7.790) 9.310 14.550 ( 14.951 0.000 -12.296) 19.358 14.728 ( -12.921 0.000 -7.836) 15.111 14.921 ( 9.353 0.000 2.829) 9.772 15.092 ( -3.041 0.000 7.529) 8.120 15.137 ( -3.802 0.000 5.086) 6.350 15.207 ( 5.167 0.000 -5.791) 7.761 15.309 ( 1.410 0.000 -0.251) 1.433 15.714 ( 8.595 0.000 4.429) 9.669 15.818 ( 0.718 0.000 -2.206) 2.320 15.970 ( -7.896 0.000 -16.885) 18.640 16.367 ( 1.217 0.000 5.028) 5.173 16.463 ( 2.370 0.000 -1.516) 2.813 16.559 ( 4.140 0.000 -7.869) 8.892 16.572 ( -0.306 0.000 -1.065) 1.108 16.858 ( -0.640 0.000 -8.463) 8.487 17.188 ( 1.381 0.000 6.762) 6.902 17.223 ( 9.530 0.000 7.875) 12.363 17.438 ( -2.615 0.000 5.850) 6.407 17.599 ( 3.355 0.000 -1.368) 3.623 18.016 ( 1.226 0.000 14.382) 14.434 18.289 ( -7.670 0.000 4.154) 8.723 19.241 ( -6.972 0.000 -4.755) 8.440 19.315 ( -8.428 0.000 0.823) 8.468 24.698 ( 2.430 0.000 1.278) 2.745 24.801 ( 0.154 0.000 4.911) 4.913 24.834 ( 1.892 0.000 -1.755) 2.581 25.237 ( 2.184 0.000 -1.355) 2.570 25.904 ( 3.369 0.000 1.097) 3.543 26.140 ( -5.999 0.000 7.384) 9.513 26.346 ( 9.032 0.000 -8.643) 12.501 26.454 ( 1.979 0.000 0.681) 2.093 26.639 ( -0.793 0.000 -1.155) 1.401 26.805 ( 2.823 0.000 -5.521) 6.201 27.097 ( 2.499 0.000 2.895) 3.824 27.305 ( -4.810 0.000 3.433) 5.909 27.801 ( -2.112 0.000 4.150) 4.657 28.092 ( 5.426 0.000 20.789) 21.485 29.116 ( 5.679 0.000 -10.295) 11.757 29.976 ( -7.215 0.000 -15.011) 16.655 ======================= Grid point 67 (24/159) ======================= q-point: ( 0.15 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 11.741 0.000 33.813) 35.793 2.398 ( 24.935 0.000 36.748) 44.409 3.631 ( 18.759 0.000 15.148) 24.111 3.953 ( 10.422 0.000 29.228) 31.031 3.959 ( 6.195 0.000 9.053) 10.970 4.273 ( 9.443 0.000 19.142) 21.344 4.577 ( -0.808 0.000 12.426) 12.453 4.583 ( -13.006 0.000 -0.662) 13.023 4.667 ( 10.543 0.000 19.760) 22.397 5.149 ( -10.593 0.000 4.173) 11.386 5.222 ( 20.343 0.000 -7.985) 21.854 5.607 ( -7.518 0.000 5.981) 9.608 5.786 ( 2.587 0.000 -25.738) 25.867 6.211 ( 3.124 0.000 7.733) 8.341 6.386 ( 4.028 0.000 18.219) 18.659 6.521 ( -17.327 0.000 -0.000) 17.327 6.729 ( -10.741 0.000 3.603) 11.330 6.994 ( -23.631 0.000 -12.377) 26.676 7.112 ( -4.867 0.000 4.225) 6.445 7.208 ( -25.596 0.000 -8.173) 26.869 7.291 ( -15.427 0.000 12.685) 19.972 7.959 ( -4.996 0.000 3.855) 6.310 7.982 ( 1.160 0.000 4.252) 4.407 8.235 ( -19.857 0.000 -2.234) 19.983 8.412 ( -5.950 0.000 -2.102) 6.310 8.953 ( -10.144 0.000 -9.483) 13.887 9.048 ( -0.817 0.000 -2.986) 3.096 9.060 ( 3.468 0.000 -0.331) 3.484 9.198 ( 2.255 0.000 -3.164) 3.886 9.382 ( -2.092 0.000 2.891) 3.569 9.385 ( -8.751 0.000 -0.297) 8.756 10.140 ( -5.377 0.000 -1.649) 5.624 10.276 ( -6.873 0.000 1.995) 7.156 10.553 ( -11.108 0.000 0.083) 11.109 10.698 ( -6.523 0.000 1.373) 6.665 10.909 ( 11.434 0.000 -4.000) 12.114 11.083 ( 2.930 0.000 -2.189) 3.658 11.098 ( -4.616 0.000 -4.026) 6.125 11.210 ( -1.548 0.000 5.287) 5.509 11.247 ( -8.404 0.000 9.160) 12.432 11.614 ( -0.430 0.000 -0.366) 0.565 11.643 ( -2.032 0.000 -0.968) 2.250 12.129 ( 11.449 0.000 2.862) 11.802 12.151 ( 2.518 0.000 -14.795) 15.007 12.293 ( 0.414 0.000 1.829) 1.876 12.664 ( 6.946 0.000 1.404) 7.087 12.852 ( 19.052 0.000 -2.171) 19.175 12.913 ( 11.697 0.000 -15.140) 19.132 13.274 ( 13.619 0.000 -9.924) 16.851 13.467 ( 10.800 0.000 -4.608) 11.742 13.689 ( 7.386 0.000 -1.640) 7.566 13.735 ( -3.578 0.000 -0.098) 3.580 13.985 ( -4.608 0.000 0.372) 4.623 14.122 ( 3.282 0.000 0.415) 3.308 14.172 ( 6.548 0.000 -15.375) 16.711 14.264 ( 3.547 0.000 2.944) 4.609 14.278 ( -7.611 0.000 -1.495) 7.757 14.454 ( -6.183 0.000 0.808) 6.236 14.778 ( 15.273 0.000 3.070) 15.579 14.964 ( -15.577 0.000 3.543) 15.975 15.116 ( 2.635 0.000 9.211) 9.580 15.149 ( 4.903 0.000 2.400) 5.459 15.387 ( 6.601 0.000 0.897) 6.661 15.420 ( 16.383 0.000 -2.229) 16.534 15.647 ( -0.780 0.000 -22.338) 22.351 15.791 ( -2.886 0.000 0.311) 2.903 15.911 ( 9.877 0.000 1.875) 10.054 16.431 ( 2.593 0.000 -8.802) 9.176 16.436 ( 1.139 0.000 0.535) 1.258 16.540 ( 2.406 0.000 -4.723) 5.301 16.584 ( 2.261 0.000 3.170) 3.894 16.762 ( 3.513 0.000 -10.767) 11.326 17.304 ( 0.510 0.000 7.913) 7.930 17.387 ( 3.554 0.000 1.391) 3.817 17.487 ( 1.794 0.000 4.193) 4.561 17.617 ( -1.050 0.000 1.911) 2.181 18.203 ( -7.722 0.000 2.618) 8.154 18.266 ( 7.774 0.000 14.961) 16.860 19.063 ( -8.650 0.000 -3.778) 9.440 19.220 ( -6.281 0.000 2.094) 6.621 24.771 ( 3.954 0.000 2.063) 4.459 24.850 ( 2.789 0.000 -1.643) 3.237 24.872 ( 0.485 0.000 5.655) 5.676 25.256 ( 2.935 0.000 -2.421) 3.804 25.995 ( 6.162 0.000 1.552) 6.355 26.195 ( 0.628 0.000 6.124) 6.157 26.397 ( 9.872 0.000 -7.649) 12.489 26.538 ( 7.217 0.000 2.186) 7.541 26.638 ( 5.495 0.000 -4.257) 6.951 26.832 ( 4.923 0.000 -1.751) 5.225 27.196 ( 4.856 0.000 4.193) 6.416 27.275 ( -4.688 0.000 4.300) 6.361 27.807 ( -3.487 0.000 4.322) 5.553 28.405 ( 3.057 0.000 19.311) 19.551 28.995 ( -3.973 0.000 -10.428) 11.160 29.633 ( -10.615 0.000 -18.104) 20.986 ======================= Grid point 68 (25/159) ======================= q-point: ( 0.23 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 17.295 0.000 25.411) 30.739 3.175 ( 19.812 0.000 30.639) 36.486 3.899 ( -21.284 0.000 12.517) 24.692 3.996 ( 5.059 0.000 0.834) 5.127 4.172 ( 8.839 0.000 -1.859) 9.033 4.420 ( 6.725 0.000 6.298) 9.213 4.497 ( 4.671 0.000 -4.001) 6.150 4.949 ( -18.346 0.000 -3.321) 18.644 5.003 ( 11.291 0.000 4.483) 12.148 5.089 ( 20.584 0.000 -2.416) 20.725 5.482 ( -14.444 0.000 10.123) 17.638 5.507 ( 13.701 0.000 10.121) 17.034 5.703 ( 16.376 0.000 -0.710) 16.391 6.191 ( -20.431 0.000 -0.058) 20.431 6.254 ( -17.705 0.000 4.015) 18.154 6.474 ( -6.298 0.000 7.171) 9.544 6.587 ( -10.292 0.000 2.158) 10.516 6.671 ( -3.761 0.000 -8.257) 9.073 6.939 ( -2.526 0.000 6.250) 6.741 7.164 ( -19.528 0.000 14.122) 24.099 7.177 ( -0.232 0.000 6.726) 6.730 7.611 ( -25.702 0.000 -8.651) 27.119 7.910 ( -7.198 0.000 3.484) 7.997 8.158 ( -13.692 0.000 3.105) 14.040 8.310 ( 1.808 0.000 0.547) 1.889 8.635 ( -11.743 0.000 -10.588) 15.812 8.953 ( -5.724 0.000 -2.567) 6.273 9.053 ( -5.954 0.000 -1.804) 6.222 9.185 ( -7.711 0.000 8.848) 11.736 9.347 ( 3.692 0.000 -1.418) 3.955 9.348 ( -3.541 0.000 -1.176) 3.731 9.889 ( -18.933 0.000 -0.819) 18.950 10.374 ( 10.468 0.000 -6.142) 12.136 10.574 ( -0.149 0.000 15.045) 15.046 10.586 ( -9.336 0.000 2.558) 9.680 10.852 ( -2.833 0.000 -2.682) 3.901 11.032 ( 1.658 0.000 1.602) 2.305 11.196 ( 2.741 0.000 -1.110) 2.957 11.245 ( -1.575 0.000 6.059) 6.260 11.278 ( 3.707 0.000 3.620) 5.181 11.568 ( -6.837 0.000 -2.261) 7.201 11.662 ( 5.194 0.000 2.955) 5.976 11.979 ( 0.757 0.000 -14.162) 14.182 12.329 ( 9.869 0.000 0.499) 9.881 12.369 ( 2.714 0.000 6.417) 6.967 12.772 ( 5.477 0.000 1.798) 5.764 12.872 ( 6.233 0.000 -14.483) 15.767 13.056 ( 13.842 0.000 -13.157) 19.098 13.394 ( 13.051 0.000 -6.392) 14.533 13.418 ( 0.445 0.000 -5.231) 5.250 13.698 ( -3.358 0.000 0.482) 3.392 13.806 ( 10.236 0.000 -3.380) 10.780 13.949 ( -2.428 0.000 -8.190) 8.542 14.029 ( 2.078 0.000 4.032) 4.536 14.087 ( -10.733 0.000 -1.402) 10.825 14.176 ( 0.722 0.000 3.136) 3.218 14.426 ( -2.830 0.000 -0.723) 2.921 14.463 ( 13.388 0.000 -4.669) 14.179 14.863 ( -5.374 0.000 10.798) 12.062 15.077 ( 13.438 0.000 4.516) 14.176 15.151 ( -7.650 0.000 10.153) 12.712 15.349 ( 13.746 0.000 -2.636) 13.997 15.380 ( 7.643 0.000 -21.410) 22.734 15.485 ( 3.990 0.000 1.228) 4.175 15.627 ( 7.578 0.000 -1.277) 7.685 15.760 ( -1.755 0.000 1.757) 2.483 16.019 ( 4.357 0.000 -2.841) 5.201 16.335 ( 3.180 0.000 -14.718) 15.058 16.412 ( 0.472 0.000 -5.089) 5.111 16.507 ( 0.749 0.000 -4.506) 4.568 16.710 ( 3.943 0.000 7.435) 8.416 16.752 ( 10.747 0.000 -7.137) 12.901 17.338 ( -6.831 0.000 6.401) 9.361 17.400 ( 1.290 0.000 -2.542) 2.851 17.623 ( 7.612 0.000 4.805) 9.002 17.632 ( -2.545 0.000 5.554) 6.110 18.149 ( -1.878 0.000 1.608) 2.472 18.578 ( 9.893 0.000 12.374) 15.842 18.885 ( -8.482 0.000 -4.074) 9.410 19.155 ( -5.128 0.000 1.017) 5.228 24.857 ( 3.907 0.000 1.719) 4.268 24.877 ( 2.920 0.000 -1.291) 3.192 24.947 ( 0.065 0.000 5.874) 5.875 25.262 ( 2.414 0.000 -3.509) 4.259 26.124 ( 7.519 0.000 1.963) 7.771 26.277 ( 1.847 0.000 3.995) 4.401 26.456 ( 8.053 0.000 -5.979) 10.029 26.693 ( 7.651 0.000 -4.436) 8.844 26.732 ( 11.349 0.000 5.434) 12.582 26.893 ( 6.062 0.000 -2.583) 6.590 27.280 ( -2.413 0.000 5.996) 6.463 27.353 ( 7.960 0.000 5.588) 9.726 27.804 ( -3.414 0.000 4.363) 5.540 28.643 ( -0.158 0.000 16.187) 16.188 28.757 ( -9.492 0.000 -11.561) 14.958 29.236 ( -11.278 0.000 -18.408) 21.588 ======================= Grid point 69 (26/159) ======================= q-point: ( 0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 8.333 0.000 17.117) 19.037 3.514 ( -9.058 0.000 2.929) 9.520 3.716 ( -18.939 0.000 12.449) 22.664 3.873 ( -3.288 0.000 -12.052) 12.492 4.311 ( 9.804 0.000 -0.433) 9.814 4.521 ( 10.883 0.000 -13.010) 16.962 4.582 ( -5.329 0.000 9.479) 10.874 4.903 ( 15.743 0.000 8.624) 17.950 4.992 ( 7.418 0.000 -14.092) 15.925 5.267 ( 11.129 0.000 -6.892) 13.090 5.478 ( -7.757 0.000 16.479) 18.213 5.718 ( 1.896 0.000 -12.719) 12.860 5.794 ( -7.259 0.000 9.795) 12.192 5.924 ( -8.394 0.000 3.916) 9.263 6.202 ( -2.527 0.000 6.850) 7.301 6.424 ( -11.722 0.000 5.397) 12.905 6.541 ( 2.943 0.000 -11.566) 11.934 6.550 ( -1.642 0.000 9.132) 9.278 7.005 ( 4.008 0.000 -4.216) 5.817 7.035 ( -17.640 0.000 5.443) 18.461 7.178 ( -9.179 0.000 2.305) 9.464 7.358 ( -4.659 0.000 12.565) 13.401 7.817 ( -8.176 0.000 -0.833) 8.218 7.889 ( -18.948 0.000 0.233) 18.949 8.401 ( -6.576 0.000 -1.446) 6.733 8.414 ( 6.449 0.000 4.289) 7.745 8.843 ( -5.299 0.000 -0.808) 5.360 8.891 ( -12.943 0.000 1.941) 13.088 9.192 ( -3.908 0.000 5.647) 6.868 9.248 ( -4.678 0.000 -4.120) 6.233 9.353 ( -1.179 0.000 -1.147) 1.645 9.580 ( -16.528 0.000 -4.008) 17.007 10.439 ( 8.547 0.000 -5.697) 10.271 10.468 ( -12.661 0.000 3.221) 13.064 10.644 ( -6.993 0.000 6.579) 9.601 10.828 ( -0.008 0.000 2.399) 2.399 11.201 ( -3.900 0.000 9.019) 9.826 11.214 ( 2.731 0.000 0.106) 2.733 11.346 ( 0.635 0.000 -5.992) 6.026 11.402 ( 3.760 0.000 9.909) 10.598 11.409 ( 9.278 0.000 2.689) 9.660 11.787 ( 5.255 0.000 1.657) 5.510 11.891 ( 3.911 0.000 -6.386) 7.488 12.372 ( 1.917 0.000 -9.978) 10.161 12.525 ( 5.945 0.000 7.946) 9.924 12.765 ( 0.555 0.000 -11.046) 11.060 12.872 ( 4.711 0.000 -4.770) 6.705 13.007 ( 5.177 0.000 -1.742) 5.462 13.463 ( 3.124 0.000 -4.653) 5.604 13.491 ( 4.003 0.000 4.252) 5.840 13.663 ( -0.584 0.000 2.326) 2.398 13.875 ( 3.922 0.000 -7.144) 8.150 13.890 ( -11.378 0.000 -5.945) 12.838 13.907 ( 2.883 0.000 -3.241) 4.338 14.080 ( 5.217 0.000 3.092) 6.065 14.272 ( 3.542 0.000 8.157) 8.893 14.429 ( 3.736 0.000 1.779) 4.138 14.561 ( 10.753 0.000 -8.050) 13.432 14.988 ( 3.949 0.000 4.434) 5.938 15.123 ( 2.036 0.000 -5.939) 6.278 15.145 ( -7.223 0.000 7.177) 10.183 15.345 ( -2.577 0.000 -11.706) 11.986 15.475 ( 12.674 0.000 0.822) 12.701 15.616 ( 8.222 0.000 3.029) 8.762 15.647 ( 0.169 0.000 -2.715) 2.721 15.810 ( 1.310 0.000 5.781) 5.927 15.989 ( 0.708 0.000 -7.503) 7.536 16.218 ( 3.905 0.000 -10.268) 10.986 16.357 ( 1.613 0.000 -4.805) 5.068 16.482 ( 1.575 0.000 -2.104) 2.628 16.841 ( 1.630 0.000 5.381) 5.622 16.881 ( 13.051 0.000 -5.833) 14.295 17.307 ( -4.848 0.000 6.157) 7.837 17.411 ( 2.671 0.000 -0.260) 2.683 17.680 ( 0.559 0.000 5.349) 5.378 17.776 ( 3.439 0.000 4.312) 5.515 18.191 ( 5.696 0.000 0.226) 5.701 18.684 ( -8.824 0.000 -5.190) 10.237 18.855 ( 8.467 0.000 7.362) 11.220 19.075 ( -5.614 0.000 -0.683) 5.655 24.907 ( 2.694 0.000 -1.072) 2.900 24.926 ( 2.779 0.000 0.871) 2.912 25.011 ( -0.644 0.000 5.279) 5.318 25.246 ( 1.567 0.000 -3.872) 4.177 26.261 ( 6.778 0.000 1.870) 7.032 26.349 ( 2.313 0.000 2.579) 3.464 26.490 ( 4.259 0.000 -4.116) 5.923 26.753 ( 6.293 0.000 -3.593) 7.246 26.948 ( 6.948 0.000 -5.060) 8.595 26.997 ( 11.881 0.000 7.861) 14.246 27.340 ( -0.169 0.000 6.493) 6.495 27.578 ( 11.240 0.000 7.009) 13.246 27.814 ( -2.329 0.000 4.607) 5.162 28.431 ( -12.833 0.000 -13.055) 18.306 28.792 ( -2.934 0.000 12.588) 12.925 28.862 ( -9.534 0.000 -16.440) 19.004 ======================= Grid point 70 (27/159) ======================= q-point: ( 0.38 0.00 -0.88) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -19.607 0.000 10.234) 22.117 3.227 ( -16.040 0.000 -7.637) 17.765 3.601 ( -9.389 0.000 -6.955) 11.684 3.751 ( 3.002 0.000 8.576) 9.086 4.447 ( 8.460 0.000 -3.471) 9.145 4.499 ( 12.172 0.000 -18.123) 21.831 4.706 ( 2.804 0.000 6.671) 7.236 4.990 ( -6.133 0.000 -5.909) 8.517 5.177 ( 7.060 0.000 -3.607) 7.928 5.243 ( 6.473 0.000 13.345) 14.832 5.608 ( 3.559 0.000 11.092) 11.649 5.671 ( 10.698 0.000 -14.901) 18.343 5.774 ( -0.448 0.000 0.274) 0.525 6.082 ( 15.160 0.000 7.612) 16.964 6.184 ( -1.404 0.000 -3.413) 3.690 6.194 ( -14.545 0.000 -7.863) 16.535 6.520 ( 4.784 0.000 -3.649) 6.017 6.657 ( -8.548 0.000 11.813) 14.582 6.881 ( -4.190 0.000 5.563) 6.965 6.913 ( -8.096 0.000 -10.541) 13.291 6.976 ( -12.619 0.000 1.266) 12.683 7.381 ( -12.424 0.000 3.102) 12.805 7.652 ( -3.391 0.000 -7.691) 8.405 7.702 ( -7.236 0.000 4.787) 8.676 8.391 ( 0.291 0.000 3.920) 3.931 8.570 ( 6.583 0.000 -0.103) 6.584 8.709 ( -12.974 0.000 0.329) 12.978 8.778 ( -3.001 0.000 -0.413) 3.029 9.147 ( -4.469 0.000 1.280) 4.648 9.185 ( -3.816 0.000 3.182) 4.968 9.321 ( -10.591 0.000 -2.012) 10.780 9.336 ( -0.323 0.000 2.444) 2.465 10.269 ( -13.977 0.000 0.310) 13.981 10.503 ( 6.206 0.000 -2.654) 6.749 10.638 ( -1.816 0.000 5.858) 6.133 10.839 ( -0.916 0.000 -2.820) 2.965 10.965 ( -11.675 0.000 -12.066) 16.789 11.286 ( 5.493 0.000 0.062) 5.493 11.338 ( -0.462 0.000 2.821) 2.859 11.644 ( 10.833 0.000 8.112) 13.534 11.674 ( 4.237 0.000 7.112) 8.278 11.840 ( 2.862 0.000 -2.875) 4.056 11.945 ( 5.109 0.000 4.054) 6.522 12.212 ( -3.090 0.000 -9.964) 10.432 12.633 ( 1.188 0.000 -8.837) 8.917 12.733 ( 3.220 0.000 9.439) 9.973 12.843 ( 3.601 0.000 -3.966) 5.356 13.201 ( 6.231 0.000 10.492) 12.203 13.428 ( -0.974 0.000 -1.290) 1.616 13.558 ( -1.113 0.000 -1.556) 1.913 13.593 ( -8.799 0.000 -9.364) 12.850 13.713 ( 0.804 0.000 3.871) 3.954 13.820 ( 2.364 0.000 -7.704) 8.059 13.920 ( 1.436 0.000 -0.221) 1.453 14.270 ( 4.103 0.000 9.585) 10.427 14.444 ( 9.621 0.000 -0.571) 9.638 14.552 ( 11.459 0.000 0.273) 11.462 14.665 ( 8.229 0.000 3.552) 8.963 14.973 ( 1.129 0.000 -6.612) 6.708 14.994 ( -8.338 0.000 -13.899) 16.208 15.193 ( -8.027 0.000 7.361) 10.891 15.207 ( -0.475 0.000 10.846) 10.856 15.571 ( 0.571 0.000 -1.919) 2.002 15.671 ( 4.349 0.000 3.130) 5.359 15.743 ( 5.959 0.000 -0.416) 5.974 15.876 ( -2.610 0.000 4.354) 5.076 15.899 ( 3.117 0.000 -11.001) 11.434 16.234 ( 3.119 0.000 2.612) 4.068 16.396 ( 7.404 0.000 0.111) 7.405 16.504 ( 2.068 0.000 1.160) 2.371 16.861 ( -4.060 0.000 1.000) 4.182 16.938 ( 4.214 0.000 -7.025) 8.193 17.383 ( 5.746 0.000 4.332) 7.196 17.467 ( 2.854 0.000 1.715) 3.330 17.773 ( 3.438 0.000 3.419) 4.849 17.811 ( -4.137 0.000 2.692) 4.935 18.310 ( 9.722 0.000 -1.838) 9.894 18.480 ( -6.604 0.000 -7.133) 9.721 18.968 ( -5.660 0.000 -2.159) 6.057 19.026 ( 4.687 0.000 3.308) 5.736 24.931 ( 2.170 0.000 -1.290) 2.525 24.962 ( 1.222 0.000 0.074) 1.224 25.052 ( -1.340 0.000 3.934) 4.156 25.227 ( 1.462 0.000 -2.633) 3.011 26.363 ( 3.750 0.000 0.977) 3.875 26.409 ( 2.022 0.000 1.681) 2.630 26.493 ( 1.662 0.000 -2.467) 2.975 26.798 ( 4.295 0.000 -2.647) 5.045 26.986 ( 7.656 0.000 -7.315) 10.589 27.270 ( 10.256 0.000 7.719) 12.837 27.407 ( -1.103 0.000 5.340) 5.452 27.840 ( -1.873 0.000 4.643) 5.007 27.842 ( 10.161 0.000 5.757) 11.679 28.087 ( -10.190 0.000 -10.602) 14.705 28.554 ( -6.633 0.000 -12.670) 14.301 28.860 ( -4.984 0.000 8.817) 10.128 ======================= Grid point 71 (28/159) ======================= q-point: ( 0.46 0.00 -0.88) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -14.844 0.000 7.701) 16.723 3.031 ( 1.675 0.000 -1.707) 2.391 3.476 ( -5.826 0.000 5.505) 8.016 3.852 ( -1.034 0.000 5.023) 5.129 4.495 ( 12.743 0.000 -14.342) 19.185 4.505 ( 8.071 0.000 -7.924) 11.311 4.763 ( -3.135 0.000 2.311) 3.895 4.846 ( 0.614 0.000 -1.003) 1.176 5.302 ( -6.730 0.000 0.060) 6.730 5.342 ( 4.162 0.000 -2.257) 4.735 5.536 ( 7.554 0.000 -14.357) 16.223 5.812 ( -15.576 0.000 -16.578) 22.748 5.831 ( 9.138 0.000 1.398) 9.245 5.848 ( 4.509 0.000 -6.361) 7.797 6.127 ( 5.078 0.000 -6.123) 7.955 6.345 ( 2.857 0.000 -1.762) 3.356 6.559 ( -13.508 0.000 7.692) 15.544 6.579 ( 7.924 0.000 0.866) 7.971 6.647 ( -7.670 0.000 -5.476) 9.425 6.912 ( -1.293 0.000 12.012) 12.081 6.984 ( 3.262 0.000 1.858) 3.754 7.189 ( -12.415 0.000 3.308) 12.848 7.585 ( 5.408 0.000 -6.229) 8.249 7.673 ( -4.493 0.000 2.997) 5.400 8.439 ( 1.031 0.000 -1.505) 1.825 8.493 ( -9.516 0.000 -3.272) 10.062 8.587 ( 3.912 0.000 -11.678) 12.316 8.680 ( -3.231 0.000 -3.420) 4.706 9.107 ( -4.002 0.000 2.138) 4.537 9.170 ( -1.491 0.000 1.109) 1.859 9.254 ( -2.958 0.000 5.222) 6.002 9.403 ( -0.531 0.000 8.663) 8.679 10.105 ( -5.750 0.000 -0.233) 5.755 10.547 ( 0.326 0.000 -4.884) 4.895 10.644 ( -3.586 0.000 -2.872) 4.594 10.742 ( 0.150 0.000 -9.838) 9.839 10.790 ( 5.075 0.000 3.062) 5.927 11.319 ( 1.028 0.000 -4.012) 4.141 11.338 ( -1.438 0.000 -0.878) 1.685 11.726 ( -2.027 0.000 2.032) 2.870 11.739 ( -4.287 0.000 -6.413) 7.714 11.894 ( 6.467 0.000 -0.036) 6.467 12.063 ( -0.813 0.000 6.774) 6.823 12.166 ( 4.831 0.000 4.339) 6.493 12.562 ( 1.761 0.000 -6.774) 6.999 12.830 ( -1.081 0.000 3.060) 3.245 12.937 ( 4.233 0.000 9.903) 10.770 13.203 ( -6.261 0.000 -13.826) 15.177 13.430 ( 0.810 0.000 2.102) 2.253 13.476 ( 3.149 0.000 3.055) 4.387 13.552 ( -0.251 0.000 -0.492) 0.553 13.779 ( -0.640 0.000 7.221) 7.249 13.781 ( 4.325 0.000 -6.418) 7.739 13.949 ( 0.296 0.000 2.923) 2.938 14.352 ( -3.911 0.000 4.791) 6.184 14.475 ( 0.808 0.000 -12.697) 12.723 14.662 ( 2.306 0.000 -9.932) 10.196 14.793 ( 9.423 0.000 6.960) 11.715 14.927 ( 0.754 0.000 -1.320) 1.520 15.010 ( 6.684 0.000 15.994) 17.334 15.204 ( -6.014 0.000 13.374) 14.664 15.320 ( -5.271 0.000 15.766) 16.624 15.557 ( 1.099 0.000 -1.555) 1.904 15.777 ( 0.266 0.000 5.957) 5.963 15.782 ( -0.678 0.000 -3.779) 3.840 15.855 ( -3.307 0.000 3.383) 4.731 15.858 ( 9.182 0.000 -6.295) 11.133 16.328 ( 0.011 0.000 7.125) 7.125 16.524 ( 4.973 0.000 1.334) 5.149 16.576 ( 1.664 0.000 5.919) 6.148 16.768 ( -4.645 0.000 -2.774) 5.411 16.885 ( 2.588 0.000 -8.588) 8.969 17.518 ( 5.319 0.000 -0.254) 5.325 17.523 ( 0.161 0.000 3.087) 3.092 17.740 ( -7.073 0.000 2.568) 7.525 17.795 ( -1.621 0.000 -4.867) 5.129 18.372 ( 2.330 0.000 -2.743) 3.599 18.401 ( 5.853 0.000 -4.785) 7.560 18.870 ( -2.154 0.000 -2.847) 3.570 19.071 ( -0.371 0.000 -1.624) 1.666 24.941 ( 1.383 0.000 -1.627) 2.135 24.966 ( -0.298 0.000 -0.529) 0.607 25.064 ( -2.087 0.000 2.326) 3.125 25.237 ( 2.132 0.000 -0.222) 2.143 26.401 ( 0.546 0.000 0.059) 0.549 26.438 ( -0.241 0.000 0.195) 0.310 26.495 ( 1.714 0.000 -1.018) 1.993 26.822 ( 2.769 0.000 -2.190) 3.530 27.007 ( 7.496 0.000 -8.523) 11.350 27.395 ( -2.437 0.000 -3.429) 4.206 27.420 ( -4.558 0.000 3.537) 5.769 27.860 ( -2.491 0.000 4.047) 4.753 27.877 ( 3.463 0.000 -0.462) 3.493 28.019 ( -0.976 0.000 -2.533) 2.715 28.453 ( 6.740 0.000 1.723) 6.957 28.853 ( -6.643 0.000 5.032) 8.334 ======================= Grid point 72 (29/159) ======================= q-point: (-0.46 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -1.789 0.000 5.942) 6.206 3.238 ( 17.284 0.000 6.304) 18.398 3.538 ( 2.936 0.000 7.698) 8.239 3.808 ( -13.288 0.000 2.495) 13.520 4.459 ( -2.955 0.000 -9.030) 9.501 4.532 ( 11.493 0.000 -11.405) 16.192 4.691 ( -4.125 0.000 -1.627) 4.434 5.004 ( 17.367 0.000 0.749) 17.383 5.144 ( -8.690 0.000 -6.337) 10.755 5.233 ( -0.226 0.000 -4.708) 4.714 5.337 ( -14.249 0.000 -15.392) 20.974 5.609 ( 8.695 0.000 -5.414) 10.243 5.698 ( -3.899 0.000 -13.288) 13.849 5.885 ( 2.568 0.000 -12.176) 12.444 6.084 ( -12.394 0.000 -8.158) 14.838 6.143 ( 4.785 0.000 -10.469) 11.511 6.555 ( -3.180 0.000 13.217) 13.594 6.573 ( 1.503 0.000 -4.668) 4.904 6.798 ( 12.223 0.000 2.822) 12.544 6.898 ( -7.957 0.000 -2.740) 8.415 7.116 ( -0.945 0.000 -8.691) 8.742 7.144 ( 4.445 0.000 10.196) 11.123 7.632 ( 5.676 0.000 -2.169) 6.076 7.647 ( -4.355 0.000 6.848) 8.115 8.280 ( -1.300 0.000 -4.834) 5.005 8.394 ( -2.208 0.000 -14.194) 14.365 8.533 ( 5.893 0.000 2.043) 6.237 8.715 ( 4.261 0.000 3.190) 5.323 9.117 ( 2.466 0.000 1.101) 2.701 9.144 ( -1.676 0.000 -2.035) 2.636 9.273 ( 2.013 0.000 -0.374) 2.048 9.508 ( -1.497 0.000 10.596) 10.701 10.104 ( 4.933 0.000 0.280) 4.941 10.397 ( 0.245 0.000 -10.434) 10.437 10.656 ( 0.148 0.000 1.654) 1.660 10.659 ( 4.033 0.000 -7.454) 8.475 10.952 ( 5.536 0.000 3.995) 6.827 11.237 ( -2.564 0.000 -6.927) 7.386 11.289 ( -0.286 0.000 -1.978) 1.998 11.564 ( -5.091 0.000 -5.805) 7.721 11.677 ( -8.935 0.000 3.391) 9.557 11.897 ( -1.177 0.000 -4.489) 4.640 12.079 ( -3.951 0.000 3.264) 5.125 12.377 ( 10.747 0.000 4.906) 11.814 12.456 ( -2.092 0.000 -12.069) 12.249 12.883 ( 4.702 0.000 5.382) 7.147 12.927 ( -6.623 0.000 -13.497) 15.035 13.189 ( 3.638 0.000 18.064) 18.427 13.403 ( 0.471 0.000 -9.437) 9.449 13.492 ( 2.804 0.000 2.812) 3.971 13.643 ( 3.562 0.000 1.453) 3.847 13.813 ( 5.941 0.000 -1.226) 6.066 13.869 ( -3.809 0.000 13.014) 13.561 13.990 ( -1.460 0.000 4.573) 4.801 14.271 ( -5.189 0.000 -7.654) 9.247 14.309 ( -6.522 0.000 2.678) 7.050 14.680 ( 9.117 0.000 -7.625) 11.885 14.810 ( -10.374 0.000 5.751) 11.862 15.053 ( 3.821 0.000 3.589) 5.242 15.151 ( -7.356 0.000 11.536) 13.682 15.417 ( -7.517 0.000 15.947) 17.630 15.440 ( 4.884 0.000 18.925) 19.545 15.564 ( 1.763 0.000 -2.256) 2.864 15.682 ( -1.532 0.000 -7.988) 8.134 15.825 ( -3.405 0.000 12.021) 12.494 15.895 ( -2.000 0.000 5.909) 6.239 15.994 ( 8.614 0.000 3.971) 9.485 16.386 ( -1.996 0.000 5.192) 5.563 16.522 ( -4.651 0.000 0.729) 4.708 16.686 ( -1.305 0.000 11.080) 11.157 16.724 ( 3.872 0.000 -4.355) 5.828 16.840 ( 7.271 0.000 -10.370) 12.666 17.434 ( -9.638 0.000 -5.497) 11.095 17.531 ( -4.500 0.000 2.640) 5.217 17.638 ( -3.715 0.000 -9.989) 10.658 17.753 ( 0.655 0.000 5.406) 5.446 18.348 ( -2.663 0.000 -7.326) 7.795 18.460 ( 8.608 0.000 0.415) 8.618 18.852 ( 4.710 0.000 -4.068) 6.224 18.976 ( -5.493 0.000 -6.419) 8.448 24.937 ( 0.616 0.000 -1.369) 1.501 24.942 ( -1.689 0.000 -0.823) 1.879 25.044 ( -2.899 0.000 0.842) 3.019 25.282 ( 2.292 0.000 1.556) 2.770 26.383 ( -2.399 0.000 -0.887) 2.558 26.402 ( -3.040 0.000 -1.677) 3.471 26.529 ( 2.917 0.000 0.821) 3.030 26.832 ( 2.233 0.000 -2.567) 3.402 27.009 ( 6.078 0.000 -8.505) 10.453 27.196 ( -9.110 0.000 -8.459) 12.432 27.350 ( -8.439 0.000 1.760) 8.620 27.774 ( -8.398 0.000 -9.568) 12.731 27.859 ( -3.287 0.000 3.284) 4.647 28.166 ( 14.036 0.000 8.299) 16.306 28.712 ( 13.324 0.000 10.018) 16.670 28.777 ( -8.249 0.000 1.390) 8.365 ======================= Grid point 73 (30/159) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -1.198 0.000 2.951) 3.185 3.370 ( -9.577 0.000 -5.292) 10.942 3.514 ( -19.841 0.000 -1.487) 19.896 3.809 ( 21.280 0.000 0.849) 21.297 4.240 ( -10.959 0.000 -3.482) 11.499 4.546 ( 5.663 0.000 -9.287) 10.877 4.630 ( -10.479 0.000 -0.297) 10.483 4.827 ( 6.205 0.000 -17.296) 18.375 5.037 ( 1.441 0.000 -17.578) 17.637 5.183 ( -12.006 0.000 4.651) 12.875 5.353 ( -3.256 0.000 -7.836) 8.486 5.631 ( 3.145 0.000 -9.753) 10.248 5.635 ( 15.972 0.000 11.059) 19.427 5.695 ( 14.003 0.000 -7.960) 16.108 6.035 ( 9.806 0.000 -8.838) 13.201 6.055 ( -0.655 0.000 -5.808) 5.845 6.532 ( 2.507 0.000 -7.060) 7.492 6.532 ( -13.994 0.000 -2.119) 14.154 6.695 ( -8.786 0.000 -9.193) 12.717 6.920 ( 1.313 0.000 -3.141) 3.404 7.090 ( 14.338 0.000 2.762) 14.601 7.107 ( -5.162 0.000 -12.112) 13.166 7.700 ( 4.167 0.000 1.437) 4.408 7.741 ( 4.530 0.000 6.109) 7.605 8.258 ( -0.191 0.000 -5.734) 5.737 8.421 ( 14.206 0.000 8.130) 16.368 8.697 ( 9.378 0.000 5.326) 10.785 8.839 ( 5.424 0.000 3.988) 6.732 9.079 ( -1.247 0.000 -4.022) 4.211 9.168 ( 4.497 0.000 -3.718) 5.836 9.335 ( 10.871 0.000 -5.191) 12.047 9.603 ( -2.857 0.000 10.376) 10.762 10.233 ( 10.018 0.000 1.267) 10.097 10.355 ( 5.138 0.000 -4.070) 6.555 10.647 ( -0.560 0.000 -2.045) 2.121 10.700 ( 7.438 0.000 -1.582) 7.604 10.958 ( -5.749 0.000 -0.001) 5.749 11.094 ( -3.421 0.000 -7.143) 7.920 11.352 ( 4.567 0.000 0.728) 4.625 11.489 ( -0.887 0.000 0.360) 0.957 11.556 ( -9.247 0.000 4.864) 10.448 11.785 ( -4.323 0.000 -5.520) 7.011 12.068 ( 0.088 0.000 1.986) 1.988 12.264 ( -1.860 0.000 -11.721) 11.868 12.554 ( 5.738 0.000 1.818) 6.019 12.679 ( -4.777 0.000 -12.496) 13.378 13.082 ( 9.699 0.000 6.446) 11.646 13.195 ( 3.194 0.000 -16.491) 16.797 13.572 ( 2.801 0.000 2.728) 3.910 13.574 ( -0.994 0.000 25.474) 25.494 13.667 ( 5.455 0.000 -5.168) 7.514 13.894 ( 5.445 0.000 -2.183) 5.867 13.923 ( -9.257 0.000 9.897) 13.552 14.028 ( -2.805 0.000 7.282) 7.804 14.194 ( -2.281 0.000 6.144) 6.553 14.237 ( -6.848 0.000 3.267) 7.587 14.695 ( -13.302 0.000 5.728) 14.483 14.717 ( 7.585 0.000 -7.868) 10.929 15.018 ( -11.483 0.000 2.948) 11.855 15.148 ( -11.967 0.000 12.652) 17.415 15.420 ( -10.905 0.000 3.620) 11.490 15.545 ( -3.796 0.000 -5.526) 6.704 15.568 ( 3.696 0.000 -0.212) 3.702 15.660 ( -0.626 0.000 8.557) 8.580 15.902 ( -5.055 0.000 6.446) 8.192 16.010 ( -3.631 0.000 23.855) 24.130 16.168 ( 3.247 0.000 6.590) 7.347 16.401 ( -0.801 0.000 0.845) 1.164 16.479 ( -1.104 0.000 -1.688) 2.017 16.725 ( 1.351 0.000 -1.999) 2.413 16.801 ( 3.524 0.000 5.394) 6.443 16.871 ( 5.217 0.000 -1.360) 5.392 17.188 ( -11.635 0.000 -4.733) 12.561 17.431 ( -3.395 0.000 -4.606) 5.722 17.522 ( -2.843 0.000 -3.044) 4.165 17.809 ( -3.940 0.000 6.260) 7.397 18.186 ( -4.686 0.000 -7.691) 9.006 18.599 ( 7.824 0.000 -0.907) 7.877 18.762 ( -7.802 0.000 -9.645) 12.406 18.881 ( 6.892 0.000 -7.243) 9.999 24.896 ( -3.062 0.000 -0.678) 3.136 24.929 ( -0.014 0.000 -0.664) 0.664 24.996 ( -3.621 0.000 -0.309) 3.634 25.332 ( 1.134 0.000 1.854) 2.173 26.293 ( -5.782 0.000 -2.696) 6.380 26.326 ( -3.846 0.000 -2.308) 4.486 26.601 ( 2.880 0.000 3.035) 4.184 26.834 ( 3.341 0.000 -3.802) 5.061 26.964 ( -9.062 0.000 -6.312) 11.044 26.986 ( 2.794 0.000 -7.116) 7.645 27.215 ( -10.316 0.000 0.978) 10.362 27.523 ( -8.890 0.000 -8.346) 12.193 27.842 ( -3.462 0.000 2.623) 4.343 28.500 ( 15.493 0.000 7.512) 17.218 28.632 ( -10.041 0.000 -2.187) 10.276 29.062 ( 14.790 0.000 11.508) 18.740 ======================= Grid point 74 (31/159) ======================= q-point: (-0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -34.952 0.000 -0.535) 34.956 2.889 ( -29.949 0.000 -16.818) 34.348 3.429 ( 9.946 0.000 -1.140) 10.011 3.933 ( -1.816 0.000 -18.999) 19.085 4.039 ( -7.832 0.000 1.242) 7.930 4.365 ( -11.576 0.000 -1.658) 11.694 4.482 ( -0.847 0.000 -9.147) 9.186 4.673 ( -17.045 0.000 -20.183) 26.417 4.899 ( -27.950 0.000 -25.973) 38.155 4.899 ( 2.965 0.000 -7.487) 8.053 5.175 ( 16.619 0.000 4.112) 17.120 5.736 ( 0.523 0.000 -4.740) 4.769 5.875 ( 18.549 0.000 8.988) 20.612 6.008 ( 13.093 0.000 8.817) 15.785 6.111 ( 15.399 0.000 -7.790) 17.257 6.122 ( 6.666 0.000 -2.695) 7.191 6.394 ( 8.861 0.000 7.872) 11.853 6.453 ( -2.565 0.000 -10.914) 11.212 6.665 ( 8.221 0.000 0.753) 8.255 6.799 ( 1.699 0.000 -3.407) 3.807 6.909 ( 0.774 0.000 -15.417) 15.436 7.483 ( 24.848 0.000 8.349) 26.213 7.774 ( 4.251 0.000 -0.462) 4.276 7.851 ( 5.803 0.000 -4.622) 7.418 8.224 ( 1.189 0.000 -0.452) 1.272 8.778 ( 16.130 0.000 8.353) 18.164 8.928 ( 7.744 0.000 8.276) 11.334 8.962 ( 4.633 0.000 2.617) 5.321 9.033 ( 2.250 0.000 -2.751) 3.554 9.169 ( 6.567 0.000 -7.317) 9.832 9.463 ( 15.108 0.000 -7.869) 17.034 9.666 ( -4.810 0.000 10.006) 11.103 10.369 ( -4.421 0.000 0.978) 4.528 10.440 ( 10.737 0.000 6.251) 12.424 10.655 ( 4.907 0.000 -0.196) 4.911 10.752 ( 4.892 0.000 -11.474) 12.473 10.905 ( -1.417 0.000 4.785) 4.991 11.039 ( 1.840 0.000 3.905) 4.317 11.288 ( -5.390 0.000 -2.056) 5.769 11.486 ( -4.197 0.000 2.108) 4.697 11.617 ( 2.309 0.000 6.666) 7.055 11.685 ( -2.503 0.000 0.418) 2.538 12.125 ( 3.931 0.000 -6.996) 8.024 12.188 ( 6.067 0.000 3.412) 6.961 12.435 ( -9.931 0.000 -6.134) 11.672 12.623 ( 4.125 0.000 -6.620) 7.800 13.053 ( 3.789 0.000 -15.498) 15.954 13.301 ( 11.304 0.000 2.387) 11.554 13.589 ( -1.100 0.000 -5.566) 5.674 13.620 ( -1.788 0.000 2.233) 2.860 13.871 ( 1.324 0.000 9.989) 10.077 13.879 ( -2.924 0.000 1.610) 3.338 13.901 ( 1.204 0.000 -5.481) 5.612 14.021 ( -14.010 0.000 13.785) 19.655 14.219 ( -3.852 0.000 10.908) 11.568 14.309 ( -1.191 0.000 10.796) 10.862 14.525 ( -12.445 0.000 -1.505) 12.536 14.721 ( 4.941 0.000 -7.543) 9.017 14.882 ( -11.496 0.000 8.708) 14.422 15.097 ( -14.265 0.000 14.214) 20.138 15.251 ( -12.486 0.000 2.739) 12.783 15.427 ( -5.766 0.000 -0.635) 5.801 15.638 ( 3.899 0.000 0.869) 3.995 15.648 ( -7.621 0.000 0.554) 7.641 15.856 ( -10.421 0.000 3.665) 11.047 16.213 ( -5.799 0.000 3.241) 6.643 16.254 ( -4.196 0.000 24.806) 25.159 16.377 ( 3.363 0.000 -7.439) 8.163 16.397 ( -0.982 0.000 -8.367) 8.425 16.730 ( -4.159 0.000 5.133) 6.607 16.820 ( -7.454 0.000 -1.109) 7.536 16.941 ( 7.467 0.000 -2.216) 7.789 17.112 ( -0.910 0.000 9.741) 9.784 17.393 ( 4.781 0.000 -3.172) 5.737 17.435 ( -3.116 0.000 -3.704) 4.841 17.735 ( -12.785 0.000 2.161) 12.967 18.089 ( 0.270 0.000 -1.157) 1.188 18.417 ( -12.681 0.000 -12.347) 17.699 18.777 ( 10.526 0.000 -0.896) 10.564 18.869 ( 6.358 0.000 -12.333) 13.875 24.833 ( -4.376 0.000 -0.130) 4.378 24.921 ( -0.549 0.000 0.022) 0.550 24.928 ( -4.063 0.000 -0.942) 4.171 25.354 ( -0.768 0.000 1.233) 1.452 26.162 ( -6.490 0.000 -2.633) 7.003 26.221 ( -5.066 0.000 -3.475) 6.143 26.671 ( -0.099 0.000 4.246) 4.247 26.765 ( -8.827 0.000 -3.635) 9.547 26.831 ( 4.352 0.000 -10.348) 11.226 26.922 ( -4.627 0.000 2.061) 5.065 27.104 ( -4.070 0.000 1.215) 4.248 27.314 ( -7.080 0.000 -5.604) 9.029 27.820 ( -2.790 0.000 1.843) 3.343 28.412 ( -12.210 0.000 -5.935) 13.576 28.803 ( 13.863 0.000 4.471) 14.567 29.441 ( 16.298 0.000 11.265) 19.812 ======================= Grid point 75 (32/159) ======================= q-point: (-0.23 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -44.396 0.000 2.741) 44.481 2.152 ( -38.233 0.000 -15.421) 41.225 3.529 ( -17.577 0.000 -12.193) 21.392 3.545 ( -23.847 0.000 -15.984) 28.709 3.761 ( -11.270 0.000 -21.873) 24.606 3.900 ( -10.427 0.000 -3.525) 11.007 4.239 ( -1.091 0.000 -2.612) 2.831 4.301 ( -15.995 0.000 -15.264) 22.109 4.484 ( -3.081 0.000 1.704) 3.521 4.948 ( 6.601 0.000 -6.502) 9.265 5.346 ( 8.595 0.000 -2.458) 8.940 5.592 ( -9.803 0.000 -3.331) 10.354 6.081 ( -11.191 0.000 -11.101) 15.763 6.175 ( 11.514 0.000 -6.698) 13.321 6.188 ( 7.873 0.000 3.558) 8.640 6.401 ( 15.982 0.000 13.836) 21.139 6.552 ( 25.229 0.000 0.070) 25.229 6.677 ( 5.420 0.000 11.057) 12.314 6.796 ( 15.482 0.000 -9.115) 17.965 6.876 ( 13.481 0.000 1.537) 13.568 7.083 ( 26.508 0.000 8.406) 27.809 7.710 ( -2.041 0.000 -12.535) 12.700 7.825 ( 4.056 0.000 -1.304) 4.261 8.029 ( 25.071 0.000 2.848) 25.232 8.321 ( 7.957 0.000 5.835) 9.867 8.983 ( 0.586 0.000 -1.602) 1.706 9.022 ( 5.731 0.000 -4.306) 7.168 9.075 ( 12.860 0.000 2.531) 13.107 9.210 ( 8.090 0.000 9.892) 12.779 9.272 ( 11.664 0.000 1.748) 11.795 9.626 ( 20.075 0.000 -8.435) 21.775 9.701 ( -6.503 0.000 10.142) 12.048 10.275 ( -5.911 0.000 0.272) 5.918 10.588 ( 1.848 0.000 -18.241) 18.334 10.692 ( -6.172 0.000 6.356) 8.860 10.704 ( 9.808 0.000 7.726) 12.486 11.067 ( 10.406 0.000 5.220) 11.642 11.186 ( 4.376 0.000 7.566) 8.741 11.270 ( 1.579 0.000 6.670) 6.855 11.380 ( -13.401 0.000 3.586) 13.872 11.707 ( -1.200 0.000 5.003) 5.145 11.722 ( 1.964 0.000 5.720) 6.048 12.128 ( 8.890 0.000 -5.806) 10.618 12.219 ( -9.292 0.000 -3.735) 10.015 12.378 ( 7.011 0.000 5.611) 8.980 12.535 ( -1.397 0.000 -10.826) 10.915 12.913 ( -3.974 0.000 -9.147) 9.973 13.471 ( 10.805 0.000 -7.520) 13.165 13.493 ( 0.242 0.000 -8.460) 8.464 13.545 ( -9.474 0.000 4.986) 10.706 13.818 ( -0.698 0.000 -5.163) 5.210 13.892 ( -4.101 0.000 1.514) 4.372 13.916 ( 5.913 0.000 -0.390) 5.926 13.939 ( -16.563 0.000 11.457) 20.140 14.183 ( -13.325 0.000 -2.494) 13.556 14.282 ( -12.499 0.000 0.263) 12.502 14.473 ( 5.943 0.000 4.741) 7.602 14.692 ( 1.843 0.000 -5.438) 5.741 14.908 ( -1.883 0.000 11.014) 11.174 15.089 ( -10.590 0.000 13.000) 16.768 15.170 ( -8.030 0.000 12.106) 14.527 15.393 ( -6.896 0.000 14.599) 16.146 15.479 ( -8.313 0.000 -5.381) 9.902 15.647 ( -15.277 0.000 -3.364) 15.643 15.710 ( 3.139 0.000 1.402) 3.438 16.070 ( -11.865 0.000 -0.603) 11.880 16.261 ( -1.684 0.000 -8.637) 8.800 16.352 ( 5.338 0.000 -8.149) 9.742 16.473 ( -2.876 0.000 17.972) 18.201 16.692 ( -9.983 0.000 6.517) 11.922 16.703 ( -3.259 0.000 -2.582) 4.158 17.027 ( 1.201 0.000 4.795) 4.943 17.213 ( -1.102 0.000 6.114) 6.213 17.334 ( -3.404 0.000 -4.237) 5.435 17.486 ( 8.810 0.000 -0.884) 8.855 17.516 ( -13.517 0.000 -2.406) 13.729 18.053 ( -13.633 0.000 -12.852) 18.736 18.140 ( 1.191 0.000 6.071) 6.187 18.762 ( 5.343 0.000 -21.213) 21.876 18.951 ( 12.419 0.000 0.353) 12.424 24.762 ( -5.091 0.000 0.707) 5.140 24.852 ( -4.235 0.000 -0.964) 4.343 24.911 ( -1.144 0.000 0.303) 1.184 25.340 ( -2.421 0.000 0.540) 2.481 26.038 ( -6.114 0.000 -1.551) 6.308 26.096 ( -5.529 0.000 -2.829) 6.211 26.610 ( -7.350 0.000 -1.083) 7.430 26.680 ( -4.047 0.000 -7.354) 8.394 26.701 ( -2.880 0.000 1.352) 3.182 26.942 ( -1.001 0.000 5.961) 6.044 27.128 ( 2.477 0.000 3.410) 4.215 27.169 ( -4.945 0.000 -3.123) 5.848 27.801 ( -1.715 0.000 0.851) 1.915 28.112 ( -14.256 0.000 -9.563) 17.166 29.026 ( 11.334 0.000 -0.130) 11.335 29.824 ( 16.512 0.000 9.390) 18.995 ======================= Grid point 76 (33/159) ======================= q-point: (-0.15 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -42.707 0.000 -7.428) 43.348 1.402 ( -46.555 0.000 9.575) 47.529 2.297 ( -68.003 0.000 -23.756) 72.033 3.177 ( -15.687 0.000 -2.294) 15.854 3.720 ( -5.425 0.000 -3.396) 6.400 3.877 ( 0.029 0.000 -6.805) 6.805 4.018 ( 7.122 0.000 -1.606) 7.301 4.251 ( 0.463 0.000 4.546) 4.570 4.498 ( -1.535 0.000 5.120) 5.345 4.802 ( -9.046 0.000 -6.967) 11.417 5.401 ( -9.503 0.000 -2.690) 9.877 5.564 ( 16.013 0.000 -1.043) 16.047 5.768 ( -13.603 0.000 -1.906) 13.735 6.285 ( 3.198 0.000 -1.122) 3.389 6.310 ( 12.737 0.000 -2.885) 13.059 6.652 ( 14.387 0.000 -13.034) 19.413 6.726 ( 3.142 0.000 4.917) 5.835 6.817 ( 2.116 0.000 9.396) 9.632 7.034 ( 4.376 0.000 2.322) 4.954 7.342 ( 34.582 0.000 7.066) 35.296 7.540 ( 2.530 0.000 -9.815) 10.136 7.687 ( 33.156 0.000 11.276) 35.020 7.876 ( 4.170 0.000 -0.582) 4.210 8.263 ( 12.542 0.000 -6.897) 14.313 8.591 ( 6.944 0.000 11.303) 13.266 8.978 ( 0.602 0.000 -0.494) 0.779 9.086 ( 9.081 0.000 -4.466) 10.120 9.206 ( 3.079 0.000 -2.253) 3.815 9.452 ( 8.753 0.000 8.799) 12.411 9.560 ( 11.465 0.000 13.347) 17.595 9.694 ( -8.626 0.000 6.891) 11.041 9.890 ( 26.508 0.000 -6.974) 27.410 10.278 ( 10.016 0.000 -2.050) 10.223 10.421 ( 8.013 0.000 -18.068) 19.765 10.634 ( -9.737 0.000 5.564) 11.214 10.878 ( -5.208 0.000 2.611) 5.826 11.114 ( -12.495 0.000 2.228) 12.693 11.256 ( 8.041 0.000 3.082) 8.611 11.378 ( 4.333 0.000 6.416) 7.742 11.473 ( 4.404 0.000 14.236) 14.902 11.721 ( -5.748 0.000 5.029) 7.637 11.822 ( 0.710 0.000 8.243) 8.274 12.084 ( -7.673 0.000 2.793) 8.166 12.275 ( 13.534 0.000 -0.158) 13.535 12.352 ( -4.033 0.000 -10.587) 11.329 12.467 ( -2.186 0.000 1.060) 2.429 12.704 ( -9.906 0.000 -5.443) 11.303 13.290 ( -11.716 0.000 -9.156) 14.869 13.400 ( -3.960 0.000 -1.428) 4.209 13.626 ( 7.274 0.000 -3.525) 8.083 13.739 ( -14.696 0.000 1.236) 14.748 13.772 ( -16.298 0.000 4.991) 17.045 13.855 ( 10.698 0.000 -6.393) 12.463 13.939 ( -5.577 0.000 -18.822) 19.631 14.019 ( -0.825 0.000 -2.641) 2.767 14.049 ( 0.157 0.000 0.108) 0.191 14.579 ( 4.936 0.000 -1.896) 5.288 14.668 ( -0.978 0.000 1.243) 1.581 14.984 ( -11.486 0.000 -0.591) 11.501 15.009 ( 0.206 0.000 2.441) 2.449 15.310 ( -0.776 0.000 18.136) 18.153 15.315 ( -3.551 0.000 -4.728) 5.912 15.364 ( -10.574 0.000 -2.755) 10.927 15.505 ( -5.402 0.000 4.632) 7.116 15.774 ( 1.507 0.000 1.250) 1.958 16.047 ( -2.983 0.000 28.824) 28.978 16.139 ( -0.571 0.000 -6.981) 7.004 16.345 ( 2.321 0.000 -0.064) 2.322 16.554 ( -2.357 0.000 -4.640) 5.205 16.622 ( -9.625 0.000 13.559) 16.628 16.648 ( 0.418 0.000 -3.064) 3.092 17.033 ( -7.613 0.000 -2.174) 7.917 17.202 ( -8.018 0.000 3.949) 8.938 17.219 ( -8.412 0.000 -0.452) 8.424 17.355 ( -2.912 0.000 5.015) 5.799 17.613 ( 6.911 0.000 1.385) 7.049 17.725 ( -9.253 0.000 -10.089) 13.690 18.242 ( -0.467 0.000 9.047) 9.060 18.480 ( 1.549 0.000 -36.732) 36.764 19.160 ( 12.841 0.000 0.823) 12.868 24.702 ( -4.521 0.000 2.022) 4.953 24.778 ( -3.997 0.000 -0.504) 4.028 24.891 ( -1.667 0.000 -0.020) 1.667 25.298 ( -3.135 0.000 0.058) 3.136 25.940 ( -4.905 0.000 -0.434) 4.924 26.019 ( -4.506 0.000 5.476) 7.092 26.511 ( -4.970 0.000 0.273) 4.978 26.512 ( -2.815 0.000 -8.824) 9.262 26.683 ( -4.096 0.000 3.006) 5.081 27.041 ( 1.206 0.000 10.295) 10.365 27.082 ( -3.082 0.000 -1.273) 3.335 27.218 ( 1.283 0.000 4.787) 4.956 27.753 ( -10.598 0.000 -11.017) 15.287 27.796 ( -3.786 0.000 0.151) 3.789 29.130 ( 7.956 0.000 -9.164) 12.136 30.158 ( 14.175 0.000 5.727) 15.288 ======================= Grid point 77 (34/159) ======================= q-point: (-0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -39.666 0.000 17.269) 43.262 0.762 ( -45.982 0.000 6.377) 46.422 1.266 ( -61.088 0.000 39.383) 72.682 2.997 ( -9.651 0.000 4.759) 10.761 3.668 ( 0.769 0.000 -0.081) 0.773 3.765 ( -5.214 0.000 5.776) 7.781 4.233 ( 11.859 0.000 2.185) 12.058 4.347 ( -3.484 0.000 14.486) 14.899 4.520 ( -1.368 0.000 0.580) 1.486 4.659 ( -5.214 0.000 5.568) 7.628 5.242 ( -4.953 0.000 -5.396) 7.325 5.547 ( -5.763 0.000 2.780) 6.398 5.815 ( 7.575 0.000 -0.957) 7.636 6.290 ( 2.025 0.000 -4.042) 4.521 6.470 ( 8.385 0.000 0.700) 8.414 6.663 ( -7.477 0.000 1.081) 7.555 6.781 ( 14.222 0.000 -2.898) 14.515 6.869 ( 1.916 0.000 -11.693) 11.849 7.190 ( 3.830 0.000 17.229) 17.649 7.584 ( 8.678 0.000 -4.153) 9.621 7.817 ( 19.685 0.000 -1.192) 19.721 7.929 ( 3.632 0.000 -0.811) 3.721 8.278 ( 25.942 0.000 5.700) 26.561 8.372 ( 8.422 0.000 -1.210) 8.509 8.733 ( -1.703 0.000 6.845) 7.054 8.992 ( -0.037 0.000 1.786) 1.787 9.100 ( -9.140 0.000 -7.601) 11.888 9.151 ( 6.170 0.000 -5.565) 8.309 9.612 ( -4.795 0.000 3.105) 5.712 9.699 ( 9.647 0.000 4.604) 10.689 9.799 ( 1.494 0.000 4.326) 4.577 10.287 ( 19.400 0.000 -3.445) 19.703 10.423 ( 12.069 0.000 -9.492) 15.355 10.433 ( 14.683 0.000 -10.516) 18.060 10.506 ( -23.352 0.000 -7.746) 24.604 10.627 ( 5.971 0.000 4.224) 7.314 11.151 ( 2.506 0.000 2.559) 3.582 11.352 ( -3.575 0.000 3.410) 4.940 11.503 ( 2.111 0.000 3.214) 3.845 11.676 ( -5.909 0.000 7.081) 9.223 11.684 ( 6.374 0.000 5.715) 8.560 11.983 ( -12.085 0.000 2.493) 12.339 12.030 ( 13.719 0.000 11.443) 17.865 12.209 ( -2.246 0.000 -2.204) 3.147 12.293 ( -26.124 0.000 -7.145) 27.084 12.376 ( -1.402 0.000 -21.986) 22.030 12.553 ( -2.227 0.000 -2.505) 3.352 12.735 ( -26.623 0.000 -30.447) 40.446 13.336 ( -8.343 0.000 4.890) 9.671 13.414 ( -11.791 0.000 -16.052) 19.917 13.524 ( -6.344 0.000 -4.318) 7.674 13.555 ( -11.119 0.000 -3.354) 11.614 13.777 ( 3.560 0.000 2.090) 4.128 13.979 ( 7.995 0.000 -2.744) 8.453 14.056 ( 4.612 0.000 4.849) 6.692 14.134 ( 9.124 0.000 -1.698) 9.281 14.606 ( 4.952 0.000 -5.847) 7.662 14.635 ( -8.331 0.000 -4.009) 9.246 14.793 ( -6.136 0.000 -3.056) 6.855 14.900 ( -7.914 0.000 -3.791) 8.775 15.195 ( -4.570 0.000 -8.110) 9.309 15.279 ( 3.510 0.000 -3.996) 5.318 15.390 ( -4.433 0.000 0.278) 4.442 15.533 ( -3.204 0.000 9.830) 10.339 15.723 ( -3.412 0.000 -1.969) 3.940 16.159 ( 6.754 0.000 2.677) 7.266 16.200 ( -5.414 0.000 -25.132) 25.708 16.360 ( -5.211 0.000 -11.740) 12.844 16.422 ( -3.203 0.000 -5.924) 6.735 16.616 ( -4.010 0.000 0.700) 4.071 16.738 ( -10.091 0.000 -7.412) 12.521 16.925 ( 14.042 0.000 22.025) 26.120 17.057 ( -11.880 0.000 1.848) 12.022 17.117 ( -6.861 0.000 0.275) 6.867 17.563 ( -0.850 0.000 -4.098) 4.185 17.660 ( 3.101 0.000 0.809) 3.205 17.734 ( 3.047 0.000 6.130) 6.846 18.092 ( 16.067 0.000 24.975) 29.697 18.384 ( 3.357 0.000 28.787) 28.982 19.330 ( 8.225 0.000 -1.165) 8.308 24.683 ( -1.285 0.000 2.069) 2.436 24.728 ( -2.428 0.000 1.763) 3.001 24.861 ( -1.364 0.000 -0.756) 1.560 25.253 ( -2.287 0.000 -0.243) 2.299 25.880 ( -2.762 0.000 0.398) 2.790 26.235 ( 11.770 0.000 27.466) 29.882 26.392 ( 1.186 0.000 -8.816) 8.896 26.457 ( -2.711 0.000 0.334) 2.732 26.660 ( -3.531 0.000 3.277) 4.817 27.042 ( -1.303 0.000 0.239) 1.325 27.139 ( -4.947 0.000 -2.482) 5.535 27.258 ( -1.414 0.000 8.263) 8.383 27.542 ( -1.582 0.000 2.247) 2.748 27.789 ( -0.650 0.000 1.400) 1.543 28.955 ( -7.390 0.000 -22.743) 23.913 30.356 ( 7.473 0.000 -5.456) 9.252 ======================= Grid point 78 (35/159) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -2.416 27.025 27.936) 38.944 1.261 ( 0.473 29.087 35.154) 45.630 2.116 ( 3.871 55.419 50.203) 74.877 2.814 ( -0.691 -18.235 10.002) 20.809 3.305 ( 0.317 -33.372 8.078) 34.337 4.045 ( 2.314 13.155 15.448) 20.422 4.417 ( -2.658 2.666 11.598) 12.194 4.651 ( -2.745 14.179 2.430) 14.645 4.745 ( 1.832 5.743 15.463) 16.597 4.931 ( -2.124 18.369 9.738) 20.899 5.128 ( 4.246 3.689 -9.180) 10.766 5.439 ( 1.582 -20.870 16.020) 26.357 5.805 ( 2.912 -0.596 -9.564) 10.015 6.170 ( 0.766 -10.530 -3.794) 11.219 6.329 ( -2.062 -10.648 -23.704) 26.067 6.551 ( -3.012 -6.995 9.813) 12.422 6.775 ( 2.724 10.064 7.321) 12.740 6.831 ( 1.109 -17.153 10.391) 20.086 7.264 ( -3.923 -7.909 13.642) 16.250 7.513 ( 3.943 -2.302 2.595) 5.252 7.917 ( 0.007 -3.490 -6.883) 7.717 8.015 ( 4.326 0.659 -7.780) 8.926 8.241 ( 1.101 -3.176 1.322) 3.613 8.627 ( -9.874 0.457 -1.950) 10.075 8.763 ( -8.203 6.810 0.263) 10.664 8.882 ( -4.950 2.250 -4.995) 7.383 9.017 ( 2.631 0.445 -2.398) 3.587 9.143 ( 4.420 4.707 -6.248) 8.985 9.189 ( -12.594 -9.340 -0.153) 15.680 9.707 ( -8.569 -5.056 -7.212) 12.288 9.717 ( -3.142 8.141 2.432) 9.059 10.107 ( 9.049 -13.272 1.620) 16.145 10.287 ( 5.130 -1.511 -0.700) 5.393 10.500 ( -0.596 0.623 -3.989) 4.081 10.674 ( 11.354 5.993 -0.243) 12.841 10.888 ( 6.657 6.726 4.214) 10.359 11.219 ( -12.569 -0.118 0.785) 12.594 11.249 ( -1.225 5.146 -1.338) 5.456 11.536 ( -6.672 -2.104 3.154) 7.674 11.577 ( -12.815 -1.008 -0.256) 12.857 11.606 ( 0.609 1.282 3.831) 4.086 11.773 ( -5.821 1.088 -3.484) 6.871 11.927 ( 2.648 9.125 -4.872) 10.678 12.141 ( -1.060 1.409 -0.491) 1.830 12.297 ( 2.179 -1.074 -7.005) 7.414 12.373 ( 9.159 5.818 4.178) 11.628 12.535 ( -1.234 -1.893 -2.638) 3.474 12.687 ( 20.164 -10.376 3.770) 22.988 13.076 ( -1.939 -4.745 -1.080) 5.239 13.367 ( 3.221 3.270 1.675) 4.886 13.388 ( -9.509 2.849 -3.092) 10.397 13.644 ( 5.561 6.440 -3.010) 9.026 13.883 ( 5.814 0.889 4.659) 7.503 13.998 ( -6.203 -5.514 6.660) 10.641 14.147 ( 8.743 5.613 -2.493) 10.685 14.332 ( 1.253 -0.846 3.483) 3.797 14.411 ( -2.162 3.864 0.555) 4.462 14.676 ( 5.281 3.782 -7.089) 9.615 14.790 ( 1.778 3.856 0.474) 4.273 14.847 ( 4.957 -0.251 0.727) 5.016 15.044 ( -1.701 -4.152 8.653) 9.747 15.121 ( -11.468 -11.916 -6.402) 17.734 15.264 ( -4.357 -3.350 -11.307) 12.572 15.362 ( 2.923 3.129 -10.056) 10.930 15.629 ( -1.468 -2.602 -1.832) 3.505 15.969 ( -2.310 -21.989 -8.217) 23.587 16.024 ( -1.722 13.059 -1.351) 13.241 16.376 ( -0.463 4.079 -4.323) 5.962 16.434 ( -0.631 -4.219 2.752) 5.076 16.571 ( 4.146 7.949 -0.834) 9.005 16.816 ( -0.536 8.785 -6.347) 10.851 16.961 ( -2.722 -1.989 -2.494) 4.193 17.044 ( 2.154 3.564 2.138) 4.681 17.107 ( 0.794 -0.690 3.098) 3.271 17.295 ( -3.201 -2.520 4.940) 6.403 17.647 ( 0.125 -0.643 -2.495) 2.579 18.018 ( -2.269 12.306 5.580) 13.701 18.347 ( -4.953 1.763 5.269) 7.443 19.136 ( 13.915 -10.865 6.442) 18.793 19.346 ( -0.570 -4.495 -1.266) 4.705 24.662 ( 0.144 -0.803 0.432) 0.923 24.709 ( -0.176 -2.751 3.093) 4.143 24.903 ( 0.165 5.384 -0.986) 5.476 25.202 ( 0.032 -2.947 -0.666) 3.021 25.876 ( -0.240 1.167 1.165) 1.666 26.174 ( -13.917 -10.336 3.000) 17.593 26.373 ( -2.064 2.117 -3.237) 4.385 26.463 ( -0.991 1.374 -0.008) 1.694 26.627 ( -2.750 -2.932 3.607) 5.401 26.717 ( 8.859 -21.826 16.004) 28.478 27.001 ( -1.432 -1.720 -3.404) 4.073 27.091 ( -0.110 -3.354 2.599) 4.244 27.433 ( 0.287 0.779 15.684) 15.706 27.702 ( 5.595 -3.716 18.235) 19.433 29.856 ( 9.532 32.815 -36.716) 50.157 30.230 ( -5.151 0.993 -11.753) 12.870 ======================= Grid point 79 (36/159) ======================= q-point: ( 0.08 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 7.779 16.491 32.928) 37.639 1.818 ( 14.853 21.444 35.229) 43.835 2.986 ( 16.190 -8.847 21.837) 28.587 3.147 ( 27.405 22.545 43.531) 56.163 3.444 ( 1.747 -26.716 14.368) 30.385 4.331 ( 6.747 4.821 13.641) 15.963 4.471 ( -10.840 2.949 8.023) 13.805 4.578 ( -3.453 11.017 6.578) 13.288 4.834 ( -7.633 13.999 1.508) 16.015 5.112 ( 2.650 -0.841 21.763) 21.940 5.159 ( 6.679 11.329 -2.705) 13.426 5.655 ( 3.364 -1.214 -9.349) 10.009 5.783 ( 2.719 -20.064 19.652) 28.216 6.011 ( -0.767 -6.714 -20.416) 21.506 6.156 ( 1.744 -8.641 0.641) 8.839 6.666 ( -2.739 1.834 9.011) 9.595 6.810 ( -9.269 -1.253 5.130) 10.668 6.950 ( -5.768 -9.823 11.156) 15.944 7.293 ( -6.532 0.751 6.459) 9.216 7.589 ( -5.076 -4.447 -3.032) 7.398 7.690 ( -11.005 -0.557 1.257) 11.090 7.859 ( -14.020 5.283 -8.652) 17.301 8.082 ( -18.710 3.548 -0.769) 19.059 8.439 ( -0.173 -5.070 0.834) 5.141 8.649 ( -10.059 5.883 -0.798) 11.681 8.873 ( 6.098 -4.508 -3.372) 8.299 8.970 ( -3.920 -12.291 -6.737) 14.554 9.090 ( 1.194 -0.702 -0.965) 1.688 9.187 ( 3.445 2.488 -3.483) 5.494 9.426 ( -11.710 -0.104 -8.015) 14.191 9.680 ( -5.582 7.407 2.871) 9.709 10.171 ( 0.533 -3.529 -1.421) 3.842 10.359 ( -1.122 -3.935 -1.929) 4.524 10.510 ( 1.580 -11.666 1.857) 11.918 10.826 ( 3.338 5.191 2.631) 6.709 10.912 ( -7.475 10.689 3.271) 13.447 11.133 ( 4.871 -1.210 -1.944) 5.383 11.193 ( -4.369 3.258 -2.300) 5.916 11.268 ( -9.140 4.010 -7.289) 12.359 11.393 ( -17.049 -3.048 2.714) 17.531 11.649 ( 0.023 3.324 1.175) 3.526 11.706 ( -1.322 2.620 -1.098) 3.133 11.982 ( 10.467 5.324 -3.707) 12.315 12.215 ( 5.744 -3.794 0.924) 6.945 12.223 ( 2.182 -0.852 -6.280) 6.702 12.537 ( 6.548 0.946 -1.111) 6.708 12.595 ( 11.343 -0.710 -1.142) 11.422 12.926 ( 17.334 0.995 -11.631) 20.898 13.165 ( 7.055 -14.383 -2.659) 16.239 13.297 ( 6.222 -3.040 -3.711) 7.857 13.457 ( 6.865 8.217 0.210) 10.709 13.822 ( 12.159 1.377 3.520) 12.733 13.903 ( -1.963 2.411 0.380) 3.132 14.003 ( -1.233 -3.191 2.702) 4.359 14.181 ( -0.431 7.563 0.995) 7.640 14.389 ( 3.005 0.472 -5.327) 6.134 14.450 ( 2.330 1.414 2.360) 3.605 14.655 ( 3.818 4.684 -6.951) 9.211 14.749 ( -9.479 0.010 -5.853) 11.141 14.888 ( 8.068 -0.055 2.891) 8.570 15.071 ( -0.198 -2.013 4.708) 5.124 15.113 ( 1.415 -2.138 3.211) 4.109 15.170 ( 2.496 -8.412 -0.362) 8.782 15.242 ( 2.049 2.547 -9.059) 9.630 15.586 ( 2.346 -8.368 -7.386) 11.405 15.866 ( 0.079 -13.804 -3.994) 14.370 16.019 ( 2.665 13.129 -2.842) 13.695 16.294 ( -3.351 -2.821 -3.557) 5.643 16.483 ( 0.444 1.123 3.643) 3.838 16.574 ( 2.133 9.010 -3.601) 9.935 16.764 ( -1.131 6.286 -5.133) 8.194 16.877 ( 3.328 2.986 -6.369) 7.782 17.171 ( 1.707 -0.768 6.854) 7.105 17.235 ( 7.120 1.887 4.825) 8.805 17.324 ( 0.808 -7.743 6.156) 9.925 17.621 ( -0.733 -1.108 -1.817) 2.251 18.114 ( 0.399 8.667 11.693) 14.560 18.310 ( -7.303 1.881 4.434) 8.748 19.183 ( -4.501 -5.311 -1.578) 7.138 19.258 ( -8.190 -4.742 1.155) 9.534 24.693 ( 2.454 -0.321 1.412) 2.849 24.755 ( 0.881 -2.569 3.392) 4.345 24.909 ( 1.649 5.494 -0.373) 5.748 25.208 ( 2.162 -2.975 -1.318) 3.907 25.913 ( 3.161 1.059 1.280) 3.571 26.091 ( -3.148 -4.377 4.769) 7.198 26.374 ( 6.378 2.471 -3.557) 7.710 26.479 ( 3.626 2.091 -1.320) 4.389 26.635 ( -0.642 -0.455 0.681) 1.040 26.778 ( 3.393 -2.987 -4.134) 6.126 27.040 ( 1.450 -5.035 1.550) 5.464 27.181 ( 3.017 -12.877 3.493) 13.679 27.668 ( 2.071 -0.916 15.832) 15.993 28.036 ( 5.689 -4.921 20.717) 22.040 29.488 ( -6.058 24.826 -22.183) 33.839 29.973 ( -7.599 -0.451 -15.955) 17.678 ======================= Grid point 80 (37/159) ======================= q-point: ( 0.15 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 14.240 12.895 29.256) 34.999 2.537 ( 22.672 13.296 33.503) 42.583 3.420 ( 18.393 -19.635 13.975) 30.318 3.623 ( 4.106 -21.764 16.110) 27.388 4.211 ( 8.214 15.576 21.628) 27.890 4.352 ( 12.015 4.556 11.945) 17.544 4.450 ( -3.961 -7.511 0.853) 8.534 4.684 ( -2.170 7.726 0.959) 8.082 4.801 ( 5.176 11.681 11.454) 17.159 5.249 ( 5.658 8.513 -6.722) 12.234 5.305 ( 1.948 9.005 13.697) 16.508 5.520 ( -5.527 -5.557 -6.234) 10.015 5.845 ( -1.687 0.511 -3.412) 3.840 6.095 ( 7.266 -11.341 10.861) 17.303 6.310 ( 1.281 -8.590 17.285) 19.345 6.519 ( -18.306 -2.554 -1.651) 18.557 6.714 ( -13.549 1.961 2.189) 13.864 6.886 ( -10.285 -8.797 4.782) 14.354 7.137 ( -11.770 6.082 -1.558) 13.340 7.313 ( -26.389 9.371 -6.685) 28.790 7.374 ( -14.404 6.320 4.080) 16.251 7.849 ( -2.393 -10.078 4.507) 11.297 7.900 ( -6.134 -6.871 5.194) 10.574 8.398 ( -18.793 14.060 -0.314) 23.473 8.445 ( -3.303 -0.953 0.775) 3.524 8.798 ( -8.056 -17.425 -5.901) 20.084 8.946 ( 5.968 -5.951 -3.227) 9.024 9.043 ( -7.721 -6.658 -7.772) 12.820 9.082 ( -3.329 -1.132 0.003) 3.516 9.287 ( -2.418 4.583 -0.144) 5.184 9.638 ( -5.575 7.426 4.432) 10.289 10.100 ( -13.027 -6.689 2.681) 14.887 10.301 ( 6.938 4.610 -2.027) 8.573 10.525 ( -1.155 -1.486 0.355) 1.916 10.745 ( -8.488 4.332 4.204) 10.416 10.974 ( 1.823 3.943 -7.415) 8.594 11.069 ( -9.399 -1.515 -4.349) 10.467 11.110 ( 3.494 1.574 -1.595) 4.150 11.192 ( -0.077 -1.568 3.723) 4.040 11.272 ( -4.212 1.564 5.539) 7.132 11.630 ( -1.182 1.551 -1.380) 2.389 11.670 ( -2.469 2.315 -0.045) 3.385 12.079 ( 7.783 0.776 -8.596) 11.621 12.222 ( 4.923 3.458 -3.448) 6.934 12.319 ( 6.639 2.136 2.699) 7.478 12.609 ( 5.335 -3.413 -2.109) 6.675 12.750 ( 11.825 -7.001 -3.380) 14.152 13.030 ( 15.760 6.821 -12.375) 21.167 13.180 ( 7.186 -12.409 -9.480) 17.190 13.389 ( 7.469 -14.743 -4.345) 17.089 13.563 ( 6.097 6.539 -2.783) 9.364 13.847 ( 2.093 7.430 -2.903) 8.247 13.956 ( -0.485 1.488 1.182) 1.961 14.133 ( 1.760 -3.675 3.510) 5.378 14.175 ( 11.374 3.565 -4.618) 12.783 14.274 ( -10.824 -2.101 -0.036) 11.026 14.452 ( -1.541 12.560 -0.374) 12.660 14.579 ( -0.281 8.935 -6.615) 11.121 14.795 ( 13.855 1.838 2.928) 14.280 14.967 ( -12.160 1.931 2.328) 12.530 15.104 ( 12.151 -3.592 2.062) 12.837 15.117 ( -5.516 -2.232 9.114) 10.885 15.244 ( 4.821 -9.380 1.830) 10.704 15.373 ( 16.527 -5.646 -11.700) 21.021 15.506 ( 4.116 -5.802 -6.758) 9.812 15.867 ( 0.889 -1.309 -1.115) 1.936 16.063 ( 8.499 7.474 -2.331) 11.555 16.207 ( -0.127 -5.625 -6.744) 8.783 16.475 ( -1.322 -0.642 -2.058) 2.529 16.599 ( -0.028 4.669 -3.758) 5.994 16.679 ( 1.300 5.778 -0.412) 5.937 16.878 ( 4.455 10.681 -5.816) 12.952 17.268 ( -2.419 -5.444 2.075) 6.309 17.315 ( 4.962 -4.189 6.845) 9.436 17.481 ( 4.544 -1.352 3.322) 5.789 17.580 ( -1.957 -3.664 0.609) 4.198 18.246 ( -6.486 4.117 3.662) 8.511 18.312 ( 5.575 3.838 13.020) 14.675 19.046 ( -7.919 -1.447 -2.838) 8.536 19.177 ( -5.783 -4.181 2.527) 7.570 24.764 ( 3.755 -0.413 1.864) 4.213 24.816 ( 1.550 -1.808 3.432) 4.177 24.941 ( 2.163 5.111 0.521) 5.574 25.228 ( 2.902 -2.901 -2.276) 4.692 26.003 ( 6.057 0.882 1.526) 6.308 26.146 ( 2.855 -3.903 3.312) 5.861 26.463 ( 8.943 5.493 -3.231) 10.981 26.544 ( 6.424 0.693 0.203) 6.464 26.636 ( 4.215 -0.138 -3.524) 5.496 26.837 ( 6.048 0.154 0.432) 6.065 27.076 ( 0.675 -7.667 2.431) 8.071 27.261 ( 3.497 -5.649 2.815) 7.215 27.831 ( -1.600 5.118 10.905) 12.153 28.347 ( 2.949 -5.918 18.932) 20.053 29.152 ( -8.837 13.408 -15.151) 22.077 29.614 ( -11.195 -2.161 -18.517) 21.746 ======================= Grid point 81 (38/159) ======================= q-point: ( 0.23 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 17.862 10.539 22.974) 30.950 3.263 ( 18.955 8.601 29.124) 35.797 3.771 ( 3.040 -12.153 14.458) 19.130 3.979 ( 12.074 -12.045 12.538) 21.167 4.094 ( -6.719 0.001 -6.576) 9.402 4.311 ( 3.045 -7.216 -4.776) 9.173 4.522 ( 1.263 -1.486 -4.132) 4.569 4.809 ( -8.346 -0.549 -5.818) 10.189 5.011 ( 12.472 -2.938 -8.468) 15.359 5.171 ( 0.734 1.583 -8.526) 8.702 5.503 ( -2.143 11.988 15.624) 19.809 5.633 ( 2.597 4.984 19.051) 19.863 5.827 ( 9.619 7.799 -0.964) 12.421 6.080 ( -18.138 -8.290 0.742) 19.956 6.297 ( -13.103 1.619 6.781) 14.842 6.430 ( -4.620 -7.217 9.076) 12.482 6.491 ( -14.897 -3.483 1.478) 15.370 6.837 ( -1.948 11.386 4.755) 12.492 6.975 ( -6.956 3.850 -3.113) 8.538 7.099 ( -9.814 -0.581 11.065) 14.801 7.200 ( -11.192 1.087 5.524) 12.528 7.588 ( -15.541 -0.430 -5.746) 16.575 8.003 ( -1.988 -7.199 6.948) 10.201 8.130 ( -16.545 8.611 1.673) 18.727 8.385 ( -4.718 3.939 1.989) 6.460 8.553 ( -11.703 -6.620 -7.567) 15.428 8.863 ( -7.722 -16.083 1.330) 17.891 8.954 ( -3.629 0.960 -3.493) 5.127 9.039 ( -0.617 -2.930 -0.611) 3.056 9.278 ( -2.416 -1.168 4.908) 5.593 9.593 ( -6.321 7.286 2.552) 9.978 9.908 ( -14.510 0.360 1.556) 14.598 10.454 ( 10.952 7.415 -4.765) 14.059 10.571 ( -3.003 1.448 9.602) 10.164 10.669 ( -3.647 6.993 3.246) 8.529 10.860 ( -2.320 -0.486 -3.994) 4.645 10.922 ( -2.710 -7.064 -0.261) 7.571 11.137 ( -3.573 -4.072 0.828) 5.480 11.253 ( 5.345 -1.844 0.872) 5.721 11.324 ( 0.375 2.044 5.348) 5.737 11.595 ( -3.492 2.316 -1.884) 4.594 11.660 ( 2.980 0.438 1.912) 3.568 12.010 ( 2.102 4.134 -10.767) 11.723 12.284 ( 4.785 -0.534 0.968) 4.911 12.450 ( 6.315 3.620 -3.229) 7.963 12.680 ( 5.818 -5.428 0.491) 7.972 12.824 ( 5.859 -6.318 -7.225) 11.245 13.103 ( 10.857 1.139 -17.533) 20.654 13.150 ( 3.207 -13.635 -4.016) 14.572 13.447 ( 9.548 -11.894 -2.817) 15.510 13.598 ( 5.981 6.579 -1.683) 9.049 13.827 ( 1.938 2.990 -4.241) 5.539 14.013 ( -1.572 -1.450 1.180) 2.443 14.090 ( -4.322 0.748 2.645) 5.122 14.170 ( -0.922 8.397 0.748) 8.480 14.296 ( 5.370 10.769 -6.776) 13.810 14.443 ( 2.311 5.006 -0.563) 5.543 14.520 ( 0.488 4.179 -2.894) 5.107 14.898 ( -1.178 3.668 5.477) 6.696 15.056 ( 7.936 -2.907 4.192) 9.434 15.122 ( -6.772 -2.646 8.237) 10.987 15.265 ( 9.239 -6.601 -5.182) 12.481 15.330 ( 11.682 -3.505 -5.958) 13.574 15.424 ( 9.109 -3.705 -1.865) 10.009 15.608 ( 7.749 -1.387 -0.727) 7.905 15.844 ( -1.492 2.680 -1.230) 3.305 16.112 ( 0.613 1.759 -8.002) 8.216 16.183 ( 9.338 -1.745 -5.530) 10.992 16.440 ( -0.287 -4.608 -0.596) 4.655 16.463 ( -0.820 1.171 -12.764) 12.843 16.780 ( 2.848 6.725 6.582) 9.832 16.882 ( 6.241 10.185 -5.597) 13.191 17.248 ( -3.074 -6.806 3.683) 8.327 17.454 ( -0.493 3.152 -0.289) 3.204 17.502 ( 3.382 -8.903 5.016) 10.764 17.638 ( 2.863 -2.009 4.042) 5.345 18.223 ( -1.469 6.877 3.077) 7.676 18.571 ( 7.485 -1.449 11.221) 13.566 18.891 ( -7.304 1.075 -3.235) 8.060 19.120 ( -4.781 -3.523 1.064) 6.034 24.842 ( 3.558 -0.596 1.258) 3.820 24.882 ( 1.849 -0.485 2.942) 3.508 24.984 ( 1.601 3.793 1.694) 4.452 25.236 ( 2.388 -2.699 -3.271) 4.867 26.130 ( 7.498 0.633 1.773) 7.731 26.237 ( 4.354 -3.102 2.072) 5.733 26.521 ( 4.709 5.527 -3.695) 8.148 26.680 ( 6.601 -1.354 -3.721) 7.698 26.712 ( 11.127 -0.681 3.146) 11.583 26.952 ( 7.579 4.281 0.834) 8.745 27.137 ( 2.010 -8.616 4.780) 10.057 27.375 ( 6.957 -2.671 3.029) 8.044 27.903 ( -3.701 10.256 8.788) 14.004 28.575 ( -0.848 -7.037 15.660) 17.189 28.830 ( -10.694 6.952 -13.584) 18.634 29.207 ( -11.712 -3.143 -18.391) 22.029 ======================= Grid point 82 (39/159) ======================= q-point: ( 0.31 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 7.380 7.782 14.983) 18.425 3.603 ( -8.520 7.780 5.600) 12.824 3.757 ( -16.687 4.227 6.186) 18.292 3.921 ( -3.683 3.819 -6.143) 8.117 4.276 ( 13.503 -5.054 -3.709) 14.887 4.391 ( -1.153 -14.046 8.125) 16.267 4.539 ( 16.678 -4.008 -5.264) 17.943 4.766 ( 13.683 -6.204 4.684) 15.737 5.031 ( 12.515 -4.780 -17.219) 21.816 5.093 ( 0.110 -3.543 -4.596) 5.804 5.471 ( -8.028 -2.737 6.020) 10.401 5.723 ( -4.375 -13.470 3.872) 14.683 5.805 ( -11.986 8.518 -2.900) 14.987 6.001 ( -6.045 12.710 6.707) 15.591 6.234 ( -6.751 -3.019 5.766) 9.377 6.343 ( -3.733 -5.684 1.872) 7.053 6.434 ( -9.971 -3.546 7.733) 13.107 6.792 ( -6.799 1.001 -8.464) 10.902 6.893 ( -0.223 9.401 1.578) 9.535 7.086 ( -6.307 0.750 7.057) 9.494 7.186 ( -6.507 2.097 7.103) 9.859 7.407 ( -2.152 5.833 -1.120) 6.317 7.898 ( -14.804 3.789 2.504) 15.485 7.999 ( -5.609 4.216 0.565) 7.039 8.343 ( -5.572 -5.072 1.165) 7.624 8.418 ( 1.893 6.051 6.393) 9.003 8.763 ( -7.219 -11.556 -0.419) 13.632 8.858 ( -6.371 0.607 2.173) 6.759 9.012 ( -2.374 -3.396 0.174) 4.147 9.271 ( -6.611 -3.245 2.780) 7.872 9.507 ( -6.467 7.941 0.743) 10.268 9.700 ( -10.821 9.977 -2.226) 14.885 10.499 ( -3.862 5.148 -1.534) 6.616 10.538 ( -1.844 4.544 0.409) 4.921 10.635 ( -5.650 0.693 3.311) 6.586 10.814 ( -2.173 -0.717 -0.233) 2.300 11.051 ( 3.281 -11.730 6.825) 13.962 11.157 ( 2.945 -5.338 6.303) 8.769 11.276 ( -0.513 -3.025 -4.306) 5.287 11.420 ( 4.681 -1.110 6.145) 7.804 11.520 ( 1.404 7.190 -2.151) 7.635 11.784 ( 6.070 0.381 4.977) 7.858 11.956 ( 3.368 5.863 -5.264) 8.569 12.346 ( 2.058 -1.467 -8.203) 8.584 12.443 ( 3.858 -7.706 -0.058) 8.618 12.692 ( -1.566 -5.029 -4.680) 7.046 12.801 ( 4.219 -6.859 -11.113) 13.724 13.045 ( 3.083 -11.296 -2.150) 11.905 13.199 ( 5.852 1.689 0.163) 6.094 13.611 ( 10.089 -3.414 -0.072) 10.651 13.722 ( 5.285 5.759 4.063) 8.809 13.794 ( 2.792 1.882 -6.831) 7.616 13.976 ( -2.319 -2.289 0.754) 3.344 14.027 ( -8.919 8.265 2.107) 12.341 14.163 ( 4.228 9.301 -3.934) 10.948 14.302 ( 1.392 5.416 3.899) 6.817 14.494 ( 5.497 6.591 -0.296) 8.588 14.559 ( 9.538 -0.078 -6.848) 11.741 14.958 ( 0.445 -3.296 -0.070) 3.327 15.077 ( -4.691 -6.816 3.633) 9.037 15.141 ( 0.884 2.189 5.070) 5.593 15.298 ( -0.112 -3.022 -10.561) 10.985 15.457 ( 11.168 -2.164 -0.475) 11.386 15.598 ( 8.402 -2.012 3.406) 9.287 15.668 ( 2.861 1.130 -3.156) 4.408 15.816 ( 0.520 -0.913 0.068) 1.053 16.035 ( 0.840 3.060 -5.507) 6.355 16.204 ( 2.002 -0.024 -3.761) 4.261 16.315 ( 1.948 0.268 -10.934) 11.109 16.451 ( 1.750 -5.516 -0.604) 5.819 16.877 ( 1.844 5.695 2.634) 6.540 16.965 ( 9.166 5.047 -1.927) 10.640 17.281 ( -0.718 -1.929 6.407) 6.730 17.426 ( 0.535 0.694 -0.420) 0.972 17.621 ( 2.864 -4.657 4.288) 6.948 17.743 ( 4.249 -3.357 3.521) 6.459 18.270 ( 3.500 7.354 1.509) 8.283 18.670 ( -7.235 -2.308 -2.480) 7.989 18.852 ( 6.235 0.469 4.740) 7.846 19.047 ( -5.052 -2.896 -0.715) 5.867 24.900 ( 2.686 -0.090 0.412) 2.719 24.937 ( 1.635 0.253 1.560) 2.275 25.028 ( 0.595 2.127 2.641) 3.443 25.224 ( 1.595 -2.331 -3.561) 4.545 26.265 ( 6.845 0.340 1.571) 7.031 26.324 ( 4.125 -1.871 1.351) 4.727 26.537 ( 2.295 3.944 -2.496) 5.201 26.731 ( 5.445 -2.248 -3.130) 6.671 26.907 ( 9.630 -0.719 0.204) 9.659 27.099 ( 9.132 6.289 2.975) 11.480 27.251 ( 3.514 -6.306 6.309) 9.587 27.547 ( 9.775 -3.685 3.499) 11.017 27.951 ( -2.948 12.479 8.463) 15.363 28.466 ( -13.341 3.240 -12.755) 18.740 28.720 ( -3.067 -6.855 9.062) 11.769 28.833 ( -9.479 -3.297 -14.208) 17.395 ======================= Grid point 83 (40/159) ======================= q-point: ( 0.38 0.20 -0.88) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -18.901 3.881 7.290) 20.627 3.284 ( -20.547 4.142 -5.844) 21.760 3.658 ( -7.541 5.945 -4.938) 10.797 3.815 ( 0.966 6.282 7.554) 9.872 4.405 ( 15.079 -3.237 -9.854) 18.302 4.526 ( 5.256 -2.215 -1.545) 5.909 4.699 ( 10.837 4.301 -3.972) 12.317 4.970 ( -7.092 -8.651 -4.103) 11.915 5.091 ( 11.575 -4.722 -0.903) 12.534 5.163 ( 17.503 -4.134 8.612) 19.941 5.519 ( 9.774 -11.226 -2.318) 15.064 5.661 ( -5.275 5.153 6.247) 9.664 5.803 ( 3.428 -12.488 3.822) 13.502 5.896 ( -3.209 6.472 -4.628) 8.579 6.137 ( -10.868 -6.241 -5.188) 13.564 6.299 ( -2.896 1.238 0.586) 3.203 6.389 ( -6.034 -13.482 6.499) 16.137 6.585 ( -8.627 -10.538 -1.442) 13.695 6.835 ( -15.989 -2.780 -2.858) 16.479 6.913 ( -0.961 11.859 -6.747) 13.678 7.191 ( -7.694 0.841 3.522) 8.504 7.396 ( 2.887 17.584 0.508) 17.826 7.788 ( -5.984 5.775 2.841) 8.788 7.860 ( -5.470 11.110 -4.759) 13.267 8.380 ( 1.160 -0.135 4.815) 4.955 8.551 ( 4.964 -0.265 1.212) 5.117 8.633 ( -7.038 -5.288 -2.593) 9.177 8.793 ( -6.357 1.481 1.450) 6.687 9.005 ( -1.758 -6.069 5.962) 8.688 9.134 ( -9.021 -6.208 -3.050) 11.368 9.443 ( -4.564 12.034 2.746) 13.160 9.563 ( -4.232 13.949 -0.205) 14.578 10.316 ( -12.500 3.336 -0.797) 12.962 10.562 ( 2.222 3.820 1.337) 4.617 10.635 ( -0.150 -0.514 0.992) 1.128 10.767 ( -3.004 -3.589 -1.464) 4.904 10.965 ( -9.161 -0.815 -8.992) 12.862 11.194 ( 4.443 -6.098 0.993) 7.610 11.394 ( 2.977 0.777 3.751) 4.852 11.537 ( 3.527 -9.876 3.854) 11.173 11.649 ( 9.505 2.068 6.413) 11.651 11.911 ( 1.632 4.789 -0.237) 5.064 11.960 ( 2.044 -0.024 0.827) 2.205 12.215 ( -0.348 1.410 -7.153) 7.299 12.528 ( 2.282 -9.639 -2.293) 10.167 12.640 ( -0.586 -7.061 3.407) 7.862 12.760 ( 3.966 -7.741 -2.597) 9.077 13.060 ( 0.325 -20.578 -0.408) 20.585 13.325 ( 5.137 8.816 2.098) 10.417 13.665 ( -1.018 7.241 -3.673) 8.183 13.742 ( 5.563 -2.260 -4.907) 7.755 13.827 ( 1.253 10.667 -0.361) 10.747 13.910 ( -2.903 10.344 2.871) 11.121 13.970 ( -3.037 8.063 -1.544) 8.753 14.284 ( 6.311 0.978 7.482) 9.837 14.432 ( 7.938 -0.702 1.633) 8.134 14.551 ( 6.415 0.520 -1.268) 6.560 14.647 ( 7.855 -2.262 -4.974) 9.569 14.910 ( -3.451 -1.361 0.163) 3.714 15.048 ( -6.524 -5.694 4.670) 9.838 15.108 ( -3.683 1.515 -8.188) 9.105 15.278 ( 2.978 3.761 9.577) 10.711 15.540 ( 1.341 -4.186 -1.471) 4.635 15.633 ( 2.134 -2.033 -0.961) 3.100 15.757 ( 5.265 1.189 0.665) 5.438 15.835 ( 2.776 -1.100 -2.851) 4.129 15.993 ( -1.873 3.739 -1.709) 4.518 16.216 ( 0.636 -2.196 3.104) 3.855 16.304 ( 7.238 -3.587 -2.389) 8.423 16.473 ( 1.561 -4.976 0.456) 5.235 16.904 ( -0.186 6.483 -0.112) 6.487 17.035 ( 2.146 5.804 -2.618) 6.719 17.374 ( 4.190 -0.576 3.558) 5.527 17.474 ( 4.355 0.216 1.742) 4.696 17.696 ( 1.466 -4.252 1.206) 4.657 17.832 ( 1.441 -1.022 3.715) 4.114 18.350 ( 6.021 4.067 -1.315) 7.384 18.488 ( -6.572 0.737 -6.428) 9.222 18.952 ( -4.570 -1.529 -2.154) 5.279 18.995 ( 4.289 -2.984 2.885) 5.968 24.934 ( 1.825 0.402 -0.537) 1.945 24.967 ( 0.724 0.238 0.377) 0.851 25.062 ( -0.346 1.272 2.496) 2.823 25.209 ( 1.473 -1.910 -2.400) 3.403 26.363 ( 3.791 0.059 0.581) 3.836 26.396 ( 3.301 -0.898 0.847) 3.524 26.536 ( 0.860 3.788 -1.294) 4.094 26.772 ( 4.259 -2.749 -2.555) 5.677 27.003 ( 7.202 2.129 -4.760) 8.891 27.270 ( 5.483 -1.842 2.668) 6.369 27.396 ( 4.602 1.108 8.106) 9.387 27.731 ( 7.309 -4.790 3.415) 9.382 28.021 ( -1.933 10.116 2.831) 10.681 28.133 ( -8.066 5.979 -5.941) 11.667 28.509 ( -6.979 -4.615 -12.955) 15.422 28.794 ( -4.894 -6.912 8.418) 11.941 ======================= Grid point 84 (41/159) ======================= q-point: ( 0.46 0.20 -0.88) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -13.763 1.881 6.368) 15.281 3.035 ( -2.168 0.027 -1.127) 2.444 3.566 ( -4.240 9.215 5.320) 11.454 3.888 ( -1.438 3.176 5.002) 6.097 4.525 ( 14.168 2.883 -8.597) 16.821 4.553 ( 6.365 3.216 -7.641) 10.451 4.750 ( 3.445 1.634 -2.136) 4.370 4.886 ( -2.279 1.588 0.815) 2.895 5.213 ( 0.117 -5.159 -0.541) 5.188 5.430 ( 12.761 -2.724 -2.365) 13.261 5.489 ( -4.377 4.010 -14.883) 16.023 5.664 ( 2.707 -11.199 -2.770) 11.850 5.763 ( -11.904 -5.422 -15.392) 20.199 5.851 ( 4.719 -0.467 1.599) 5.005 6.007 ( 3.128 -10.001 -3.201) 10.957 6.197 ( -12.377 -14.241 -3.595) 19.208 6.371 ( 0.315 -10.006 7.520) 12.521 6.568 ( -9.019 -4.569 0.993) 10.160 6.638 ( 5.855 -12.654 12.276) 18.577 6.882 ( 3.646 13.849 -4.486) 15.007 7.091 ( -5.970 -2.005 1.092) 6.392 7.415 ( -1.822 25.365 -3.573) 25.680 7.728 ( 0.137 5.770 -2.612) 6.335 7.799 ( -0.931 13.291 1.816) 13.446 8.410 ( 1.841 -3.298 -5.598) 6.753 8.446 ( -7.476 -2.275 -8.613) 11.630 8.585 ( 2.627 1.379 -5.996) 6.690 8.690 ( -4.509 0.916 -0.150) 4.603 8.967 ( -4.807 -8.772 -3.820) 10.708 9.095 ( -0.740 -5.835 8.321) 10.189 9.422 ( -2.740 11.979 2.359) 12.513 9.544 ( -1.132 10.607 2.520) 10.961 10.162 ( -4.924 4.564 -0.875) 6.771 10.544 ( -3.941 -3.127 -8.817) 10.151 10.646 ( 2.040 -2.549 0.881) 3.381 10.688 ( -2.215 -0.408 -3.473) 4.140 10.839 ( 3.570 6.240 0.624) 7.216 11.229 ( 0.903 -7.338 -3.131) 8.029 11.390 ( -1.281 2.949 -3.753) 4.942 11.610 ( -1.459 -8.942 3.484) 9.707 11.782 ( -4.182 2.044 -5.237) 7.006 11.863 ( 5.383 -1.930 -1.386) 5.884 12.056 ( 1.386 -0.688 9.125) 9.255 12.222 ( 2.616 5.568 2.743) 6.736 12.530 ( 2.967 -4.332 -0.571) 5.281 12.652 ( -3.241 -12.315 -0.524) 12.745 12.869 ( 3.837 -6.394 11.306) 13.544 13.070 ( 0.776 -18.505 -0.011) 18.521 13.335 ( 0.895 7.123 -5.371) 8.966 13.640 ( 0.867 11.756 -2.936) 12.149 13.774 ( 4.846 4.264 -2.016) 6.763 13.803 ( -0.248 8.221 -2.602) 8.626 13.911 ( -3.806 6.615 2.073) 7.908 13.951 ( -0.036 6.814 4.836) 8.356 14.378 ( -0.956 1.558 -1.750) 2.531 14.489 ( -0.317 1.826 -4.559) 4.921 14.576 ( 4.632 -6.811 -8.357) 11.734 14.756 ( 6.889 -4.637 9.741) 12.800 14.935 ( 2.531 -0.688 -2.608) 3.699 15.043 ( 0.281 3.123 12.913) 13.288 15.085 ( -6.126 -6.977 11.259) 14.593 15.425 ( -2.385 6.900 11.940) 13.995 15.549 ( 2.689 -1.903 0.743) 3.378 15.673 ( 2.396 -4.009 0.718) 4.726 15.809 ( 1.243 1.119 0.387) 1.717 15.854 ( 0.533 0.278 2.302) 2.380 15.946 ( 1.520 3.236 -2.667) 4.460 16.264 ( -2.255 -7.458 4.949) 9.231 16.413 ( 5.602 -5.325 0.866) 7.778 16.525 ( 1.171 -3.304 5.518) 6.537 16.878 ( -1.543 9.058 -1.716) 9.348 16.990 ( 0.424 7.060 -6.009) 9.281 17.448 ( 0.951 -3.057 0.650) 3.267 17.585 ( 5.585 -0.089 2.239) 6.017 17.666 ( -4.605 -1.731 -1.673) 5.197 17.845 ( -3.328 1.505 -1.241) 3.857 18.377 ( 2.389 0.448 -3.648) 4.383 18.401 ( 3.632 0.229 -4.054) 5.448 18.871 ( -1.440 0.324 -2.837) 3.198 19.037 ( -0.185 -3.394 -1.448) 3.695 24.944 ( 0.858 0.357 -1.253) 1.560 24.969 ( -0.488 0.139 -0.313) 0.596 25.076 ( -1.096 1.387 1.545) 2.348 25.219 ( 1.986 -1.874 -0.264) 2.743 26.399 ( 0.838 0.016 -0.211) 0.864 26.433 ( 0.645 -0.353 -0.223) 0.768 26.537 ( 0.845 3.869 -0.533) 3.996 26.798 ( 2.992 -2.784 -2.421) 4.751 27.032 ( 5.670 2.777 -6.565) 9.108 27.299 ( -1.620 -5.281 -2.219) 5.953 27.505 ( -3.861 4.263 2.495) 6.269 27.827 ( -1.217 -3.914 -3.676) 5.506 27.903 ( 5.286 4.553 3.598) 7.850 28.121 ( -5.497 8.696 -2.842) 10.673 28.412 ( 7.469 -3.861 3.906) 9.271 28.790 ( -6.266 -6.566 5.330) 10.525 ======================= Grid point 85 (42/159) ======================= q-point: (-0.46 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 0.363 3.419 5.422) 6.421 3.203 ( 16.818 -3.766 5.769) 18.174 3.642 ( 2.546 10.286 8.112) 13.345 3.859 ( -11.790 4.910 2.945) 13.107 4.477 ( -5.541 3.215 -8.864) 10.937 4.614 ( 6.951 3.242 -5.964) 9.716 4.751 ( -2.132 8.328 -2.497) 8.952 4.950 ( 11.903 -4.378 -0.230) 12.684 5.097 ( -8.556 -3.575 -7.453) 11.897 5.268 ( -0.437 2.471 -6.889) 7.331 5.313 ( -7.956 -2.312 -13.288) 15.660 5.526 ( -3.193 -10.951 -6.838) 13.300 5.622 ( 4.131 -3.154 -9.412) 10.752 5.847 ( -0.803 -3.949 -11.060) 11.771 5.962 ( -0.667 -10.405 -2.950) 10.836 6.024 ( 3.690 -8.796 -7.503) 12.136 6.464 ( -3.616 -6.524 9.615) 12.169 6.654 ( 7.488 -4.735 7.757) 11.775 6.799 ( -2.005 7.661 -3.734) 8.755 6.961 ( 10.244 2.944 2.851) 11.034 7.039 ( -2.401 -1.574 -2.357) 3.715 7.306 ( -0.972 11.607 -6.607) 13.391 7.706 ( -2.116 9.822 0.352) 10.054 7.828 ( 1.188 12.142 -0.937) 12.236 8.230 ( -0.778 -7.305 -11.764) 13.869 8.279 ( -1.534 -5.583 -10.662) 12.133 8.561 ( 1.762 2.318 0.215) 2.920 8.715 ( 3.121 -2.491 2.069) 4.498 8.901 ( 1.798 -7.538 -2.881) 8.268 9.191 ( 2.769 -4.160 5.877) 7.715 9.383 ( -2.309 8.988 -3.095) 9.783 9.573 ( 0.622 4.809 2.412) 5.416 10.156 ( 5.028 4.593 -1.021) 6.886 10.389 ( 0.147 -1.835 -8.331) 8.532 10.608 ( 3.925 -3.042 -5.091) 7.112 10.714 ( 1.212 2.927 -0.424) 3.197 10.955 ( 3.660 1.663 4.810) 6.269 11.162 ( -2.456 -5.921 -4.974) 8.114 11.308 ( -1.863 1.547 -3.423) 4.193 11.568 ( -4.516 -3.155 0.283) 5.517 11.651 ( -6.558 0.296 -1.955) 6.850 11.854 ( -0.923 -3.346 -5.102) 6.171 12.136 ( -2.832 4.934 4.715) 7.389 12.348 ( 7.688 -0.968 3.309) 8.426 12.456 ( -4.137 -0.700 -9.469) 10.357 12.716 ( 5.787 -8.960 8.658) 13.738 13.020 ( -1.611 -4.015 -7.658) 8.796 13.139 ( 2.870 -5.168 21.994) 22.775 13.312 ( 1.100 3.501 0.079) 3.670 13.568 ( 2.143 2.402 -11.194) 11.647 13.760 ( 0.756 7.611 -2.779) 8.137 13.853 ( 3.762 5.166 0.267) 6.396 13.908 ( -5.667 2.410 8.741) 10.692 14.004 ( -1.535 3.944 5.192) 6.698 14.275 ( -3.068 1.320 -4.267) 5.419 14.411 ( -4.817 8.159 3.512) 10.105 14.619 ( 7.064 -5.578 -6.852) 11.312 14.856 ( -4.532 3.558 5.451) 7.932 14.979 ( -1.071 -4.738 5.345) 7.223 15.160 ( -2.255 -8.557 11.148) 14.234 15.201 ( -3.481 -6.762 10.713) 13.138 15.508 ( -2.640 2.932 9.520) 10.305 15.613 ( 3.534 2.611 1.077) 4.524 15.707 ( -0.966 1.581 -0.540) 1.930 15.812 ( -4.515 -0.567 8.483) 9.627 15.899 ( -1.682 0.671 5.509) 5.799 16.056 ( 9.216 3.760 5.872) 11.557 16.257 ( -3.038 -11.692 2.794) 12.399 16.487 ( 1.433 -1.652 3.431) 4.068 16.632 ( 0.080 -2.068 8.702) 8.945 16.815 ( -1.530 7.603 -4.168) 8.804 16.943 ( 3.905 6.100 -6.630) 9.820 17.383 ( -7.193 -3.018 -4.443) 8.977 17.545 ( -6.244 -2.864 -3.440) 7.683 17.635 ( -1.871 2.847 -1.753) 3.831 17.770 ( -1.567 0.873 1.696) 2.469 18.350 ( -1.295 0.308 -6.900) 7.027 18.452 ( 8.017 -1.096 -0.514) 8.108 18.846 ( 3.261 -0.179 -4.353) 5.442 18.957 ( -4.206 -1.931 -5.472) 7.166 24.931 ( -0.528 -0.169 -1.396) 1.502 24.948 ( -1.541 0.049 -0.489) 1.617 25.067 ( -1.564 2.376 0.481) 2.885 25.259 ( 2.078 -2.386 1.303) 3.422 26.385 ( -1.926 0.224 -0.873) 2.126 26.403 ( -2.932 0.093 -1.719) 3.400 26.558 ( 2.124 2.993 0.542) 3.709 26.807 ( 2.224 -2.857 -2.740) 4.540 27.019 ( 2.703 1.378 -6.582) 7.247 27.180 ( -5.571 -1.780 -6.591) 8.812 27.386 ( -8.790 3.852 -1.370) 9.694 27.714 ( -5.499 -4.406 -6.971) 9.912 27.959 ( -5.795 7.998 -0.139) 9.878 28.182 ( 13.712 1.538 7.609) 15.757 28.677 ( 10.621 -3.405 9.765) 14.825 28.736 ( -5.307 -4.100 3.227) 7.442 ======================= Grid point 86 (43/159) ======================= q-point: (-0.38 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 1.046 6.908 2.788) 7.522 3.429 ( -5.386 3.277 -3.529) 7.225 3.598 ( -15.389 8.224 0.122) 17.448 3.836 ( 15.391 3.974 0.471) 15.902 4.168 ( -15.619 -5.012 -7.693) 18.118 4.540 ( -14.021 -8.369 -2.977) 16.598 4.699 ( -0.227 11.519 -4.815) 12.487 4.819 ( 6.611 0.101 -15.009) 16.401 4.974 ( -5.684 -4.278 -4.429) 8.380 5.244 ( -0.178 -2.105 -6.675) 7.001 5.300 ( 0.898 2.756 -0.813) 3.010 5.556 ( 11.077 -6.775 -2.665) 13.256 5.643 ( 17.746 -0.802 6.872) 19.047 5.711 ( 6.300 1.285 -14.507) 15.868 5.930 ( 5.185 -5.720 -6.177) 9.887 6.058 ( 6.052 -3.767 -4.075) 8.211 6.468 ( -9.785 -2.936 5.537) 11.620 6.623 ( -4.150 5.683 -11.626) 13.590 6.722 ( -5.684 3.709 -9.911) 12.012 6.967 ( 2.121 -0.945 2.867) 3.689 7.038 ( 1.581 1.518 -7.712) 8.018 7.232 ( 5.166 9.414 -8.939) 13.972 7.710 ( 1.708 -5.731 -0.602) 6.010 7.805 ( 3.541 10.988 -2.414) 11.795 8.135 ( 4.645 -13.448 -8.100) 16.372 8.351 ( 9.274 -3.662 8.511) 13.109 8.646 ( 5.423 -4.344 4.545) 8.303 8.782 ( 5.604 -8.645 -1.766) 10.453 8.950 ( 5.125 0.868 0.655) 5.239 9.280 ( -2.874 3.294 -4.535) 6.299 9.332 ( 10.343 -1.926 -1.669) 10.652 9.618 ( 0.567 0.570 3.457) 3.549 10.259 ( 9.118 2.374 -1.015) 9.476 10.378 ( 7.573 0.738 -3.761) 8.488 10.645 ( 2.931 0.412 -2.894) 4.139 10.719 ( 5.624 1.059 -2.750) 6.350 10.988 ( -5.740 2.040 3.956) 7.263 11.059 ( -2.963 -1.350 -3.915) 5.092 11.293 ( 1.003 -3.144 -1.030) 3.457 11.495 ( -7.565 -5.992 2.290) 9.919 11.577 ( 1.206 6.190 1.485) 6.479 11.763 ( -2.787 -1.905 -3.800) 5.083 12.135 ( -1.052 7.087 2.317) 7.530 12.282 ( -2.641 2.107 -8.049) 8.729 12.498 ( 7.868 -3.702 -0.744) 8.727 12.806 ( -5.920 10.599 -3.877) 12.744 12.948 ( 6.212 -11.562 -2.659) 13.392 13.308 ( 1.183 8.028 2.126) 8.389 13.469 ( 3.244 -4.049 11.446) 12.567 13.508 ( 1.431 -9.815 3.782) 10.615 13.743 ( 0.424 4.377 -2.211) 4.922 13.869 ( 0.330 0.590 -3.228) 3.298 13.934 ( -9.282 -1.516 14.337) 17.147 14.025 ( 0.275 5.012 1.413) 5.214 14.247 ( -2.460 4.958 5.172) 7.575 14.413 ( -2.183 12.083 5.003) 13.259 14.607 ( 0.488 -6.023 -4.411) 7.482 14.830 ( -4.231 9.252 2.171) 10.402 14.950 ( -11.649 -4.343 6.607) 14.079 15.189 ( -8.669 0.009 6.481) 10.824 15.226 ( -4.391 -16.076 4.621) 17.294 15.522 ( -4.590 1.168 2.585) 5.396 15.598 ( -6.383 1.254 -2.705) 7.045 15.710 ( 2.352 1.285 2.193) 3.463 15.896 ( -4.842 0.090 7.199) 8.676 15.950 ( -3.341 -3.796 18.304) 18.990 16.241 ( 4.372 -5.709 0.664) 7.221 16.313 ( 0.594 4.824 11.255) 12.260 16.551 ( 0.517 -3.693 4.689) 5.991 16.655 ( -0.111 4.999 -7.235) 8.795 16.798 ( -0.960 -0.878 6.209) 6.344 16.953 ( 4.213 3.552 -2.325) 5.981 17.169 ( -9.677 -0.761 -5.501) 11.157 17.400 ( -2.816 -3.767 -6.399) 7.942 17.565 ( -4.887 4.401 0.049) 6.577 17.788 ( -4.318 -2.108 5.133) 7.031 18.219 ( -3.026 3.361 -7.445) 8.711 18.557 ( 5.354 -4.686 -2.798) 7.646 18.766 ( -3.700 1.032 -7.901) 8.785 18.876 ( 4.968 -0.705 -6.900) 8.531 24.891 ( -2.561 -0.369 -1.112) 2.816 24.914 ( -2.202 -1.017 -0.472) 2.470 25.043 ( -1.625 4.119 -0.153) 4.431 25.303 ( 1.050 -2.971 1.621) 3.544 26.302 ( -5.707 0.828 -2.613) 6.331 26.325 ( -4.008 -0.088 -2.240) 4.592 26.616 ( 2.620 1.641 2.521) 3.989 26.807 ( 3.022 -2.896 -3.490) 5.450 26.933 ( -5.399 -0.509 -5.051) 7.411 27.026 ( -3.461 0.889 -6.013) 6.995 27.230 ( -8.542 2.562 -1.690) 9.077 27.511 ( -7.192 -2.108 -8.235) 11.135 27.897 ( -4.637 6.333 2.074) 8.118 28.448 ( 5.639 -6.012 2.096) 8.505 28.674 ( 0.951 4.752 4.407) 6.550 29.026 ( 14.458 -3.747 11.411) 18.796 ======================= Grid point 87 (44/159) ======================= q-point: (-0.31 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -32.691 11.459 -0.478) 34.644 3.010 ( -26.692 11.180 -14.099) 32.190 3.456 ( -1.800 1.685 -4.459) 5.096 3.871 ( -8.572 -7.265 -15.921) 19.487 3.999 ( -0.303 -2.087 1.828) 2.790 4.241 ( -8.748 -8.195 -3.533) 12.497 4.625 ( -1.759 11.241 -3.955) 12.045 4.811 ( -4.054 9.073 -10.767) 14.652 4.919 ( 3.488 3.373 -10.037) 11.148 4.972 ( -20.669 7.423 -19.325) 29.254 5.183 ( 5.635 2.489 -3.891) 7.287 5.672 ( 3.608 -5.575 -2.208) 6.998 5.791 ( 13.253 -7.677 4.495) 15.962 5.942 ( 5.500 -11.649 -6.078) 14.244 6.061 ( 17.595 3.486 0.672) 17.949 6.166 ( 13.458 1.885 1.029) 13.628 6.375 ( -1.700 -4.737 6.985) 8.610 6.504 ( 0.177 7.355 -4.922) 8.851 6.638 ( 7.225 -3.874 -0.989) 8.258 6.880 ( 3.359 2.182 -10.931) 11.642 6.970 ( 2.922 11.838 -6.658) 13.893 7.435 ( 18.943 -5.140 5.329) 20.338 7.678 ( 2.483 -15.739 -10.532) 19.100 7.886 ( 9.486 8.261 -3.179) 12.975 8.174 ( 6.541 -6.959 -0.478) 9.562 8.614 ( 9.468 -10.503 7.597) 16.052 8.819 ( 7.169 -7.931 4.132) 11.462 8.879 ( 9.624 -7.914 0.823) 12.487 9.036 ( 6.008 2.984 -0.613) 6.736 9.207 ( 0.750 1.687 -2.556) 3.153 9.467 ( 12.617 -2.136 -6.168) 14.205 9.672 ( -1.918 -1.553 7.183) 7.595 10.373 ( 2.710 -1.618 0.336) 3.174 10.478 ( 7.927 1.995 -2.033) 8.423 10.613 ( 1.271 1.853 -4.455) 4.990 10.830 ( 12.413 1.855 -3.064) 12.919 10.945 ( -5.070 5.035 4.538) 8.464 11.045 ( 0.722 2.759 6.693) 7.275 11.237 ( -2.786 -3.332 -1.011) 4.460 11.494 ( -1.317 -2.140 4.289) 4.971 11.645 ( 1.212 3.372 4.251) 5.560 11.700 ( -2.163 1.316 1.085) 2.755 12.160 ( 1.827 4.246 -4.395) 6.379 12.217 ( 3.179 3.295 1.596) 4.848 12.544 ( 3.344 -0.885 -10.542) 11.095 12.634 ( -8.839 13.339 2.116) 16.141 12.964 ( 4.540 -9.220 -9.360) 13.901 13.368 ( 6.071 1.776 -3.197) 7.088 13.517 ( -2.295 -3.103 7.134) 8.111 13.651 ( -6.711 -7.686 10.048) 14.320 13.720 ( 3.948 0.875 -5.563) 6.877 13.797 ( -1.840 -2.932 -5.963) 6.895 13.956 ( -8.237 2.046 11.808) 14.542 14.104 ( -0.347 0.281 10.556) 10.565 14.251 ( -4.861 9.265 2.720) 10.811 14.425 ( -2.180 5.116 0.523) 5.585 14.543 ( -6.751 1.033 2.400) 7.239 14.783 ( -1.188 7.618 -3.038) 8.288 14.834 ( -11.989 -2.236 7.885) 14.523 15.119 ( -9.503 -0.685 6.627) 11.606 15.144 ( -8.086 -12.021 0.761) 14.508 15.461 ( -9.119 -5.848 -1.384) 10.921 15.462 ( -7.067 2.502 3.983) 8.490 15.770 ( 2.915 1.628 2.311) 4.061 15.869 ( -10.060 1.532 7.765) 12.800 16.098 ( -6.677 -3.243 13.168) 15.116 16.258 ( 1.257 -4.847 -3.701) 6.227 16.423 ( -2.951 8.031 8.064) 11.758 16.528 ( 1.198 -0.327 -10.138) 10.214 16.615 ( -4.050 0.038 8.043) 9.005 16.803 ( -4.650 -1.919 1.027) 5.134 17.006 ( 7.048 1.676 -2.224) 7.578 17.078 ( -3.456 -0.696 7.245) 8.057 17.336 ( 1.949 -6.179 -5.073) 8.229 17.486 ( -4.246 5.277 0.035) 6.774 17.718 ( -11.042 -1.951 2.389) 11.465 18.126 ( 0.170 3.959 -3.053) 5.002 18.412 ( -9.775 -1.265 -10.176) 14.167 18.767 ( 9.199 -0.603 -2.476) 9.545 18.853 ( 5.587 -1.617 -11.563) 12.944 24.829 ( -4.038 -0.313 -0.511) 4.083 24.866 ( -3.051 -2.283 -0.682) 3.871 25.016 ( -1.648 5.590 -0.122) 5.830 25.323 ( -0.714 -3.234 1.113) 3.494 26.172 ( -6.563 0.940 -2.599) 7.121 26.218 ( -5.354 -0.352 -3.272) 6.284 26.682 ( 0.402 1.157 3.422) 3.634 26.758 ( -6.311 -0.485 -4.751) 7.914 26.819 ( 1.945 -1.068 -6.761) 7.116 26.910 ( -6.719 -1.833 2.528) 7.409 27.106 ( -4.616 1.291 -1.186) 4.938 27.321 ( -5.740 -0.784 -6.170) 8.464 27.845 ( -5.029 3.871 1.007) 6.426 28.340 ( -10.181 -6.878 -5.589) 13.498 28.912 ( 14.572 9.914 6.194) 18.682 29.404 ( 16.597 -4.026 11.084) 20.360 ======================= Grid point 88 (45/159) ======================= q-point: (-0.23 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -40.958 14.229 1.079) 43.372 2.349 ( -35.589 18.367 -12.210) 41.869 3.329 ( -10.313 -18.152 -5.785) 21.664 3.458 ( -16.696 -13.878 -9.008) 23.505 3.812 ( -40.033 18.768 -26.832) 51.719 4.106 ( 5.915 7.820 1.799) 9.969 4.327 ( -2.607 11.462 -8.055) 14.250 4.506 ( -13.083 19.555 -15.272) 28.050 4.610 ( -1.638 12.489 1.242) 12.657 4.929 ( 5.011 -1.059 -6.811) 8.522 5.243 ( 3.502 -6.705 -4.488) 8.796 5.655 ( -3.536 -0.548 -1.957) 4.079 5.945 ( 8.178 -13.622 -8.442) 17.992 6.031 ( -5.466 -10.181 -7.989) 14.048 6.145 ( 6.836 -10.313 11.447) 16.856 6.329 ( 14.945 -0.181 3.151) 15.274 6.613 ( 6.066 -5.321 -2.509) 8.450 6.634 ( 5.231 -2.309 8.043) 9.868 6.772 ( 28.672 5.322 -0.399) 29.164 6.949 ( 11.542 6.356 -0.361) 13.181 7.192 ( 23.321 10.903 6.949) 26.665 7.513 ( -1.826 -16.992 -13.983) 22.082 7.739 ( 10.711 -8.706 1.478) 13.882 8.070 ( 18.987 -1.022 -6.456) 20.080 8.328 ( 11.300 1.164 6.245) 12.963 8.809 ( 7.424 -11.300 3.725) 14.024 8.929 ( 7.900 -4.560 -2.224) 9.389 9.083 ( 13.249 -5.273 0.640) 14.274 9.148 ( 6.084 -2.207 3.292) 7.261 9.253 ( 4.135 -2.348 4.591) 6.610 9.608 ( 17.482 -2.208 -7.401) 19.112 9.731 ( -3.456 -0.043 9.606) 10.209 10.325 ( -3.176 2.556 -2.702) 4.891 10.437 ( -1.089 -8.531 -14.027) 16.454 10.666 ( 1.877 3.946 6.991) 8.244 10.952 ( -0.057 12.067 4.667) 12.938 11.068 ( 13.905 1.923 4.682) 14.798 11.192 ( 4.249 1.700 7.464) 8.755 11.257 ( 1.371 -1.140 6.325) 6.571 11.472 ( -9.020 5.876 4.848) 11.807 11.714 ( 0.987 0.089 4.277) 4.391 11.723 ( -0.030 0.932 4.518) 4.613 12.148 ( 5.392 2.193 -5.069) 7.719 12.291 ( 2.077 -4.972 -3.297) 6.317 12.374 ( -9.172 13.014 -0.698) 15.936 12.608 ( 0.831 6.397 -1.243) 6.570 12.874 ( -3.405 -4.476 -7.244) 9.171 13.367 ( 0.219 -10.024 -6.051) 11.711 13.523 ( -1.488 1.267 -5.322) 5.669 13.622 ( -6.146 7.132 5.831) 11.074 13.696 ( -5.520 -9.092 3.697) 11.261 13.722 ( 1.330 -5.160 -2.547) 5.907 13.981 ( 0.639 3.613 1.104) 3.831 14.050 ( -13.430 2.301 -1.590) 13.718 14.206 ( -4.502 5.871 1.030) 7.470 14.362 ( -11.374 0.733 -3.608) 11.955 14.479 ( -0.382 4.002 6.014) 7.234 14.732 ( 0.420 4.714 -3.628) 5.963 14.821 ( -3.161 -4.509 8.384) 10.031 15.062 ( -6.319 -11.941 5.863) 14.727 15.090 ( -5.655 -4.338 7.696) 10.489 15.255 ( -12.215 -7.627 -4.056) 14.961 15.417 ( -6.809 -0.176 4.277) 8.043 15.725 ( -11.063 1.872 1.912) 11.382 15.899 ( -1.853 8.473 6.336) 10.741 16.054 ( -6.816 2.198 5.759) 9.190 16.222 ( 0.209 -2.312 -2.722) 3.578 16.389 ( -4.367 1.197 0.886) 4.614 16.465 ( -1.048 -3.790 -2.202) 4.507 16.683 ( 1.246 7.006 5.850) 9.212 16.768 ( -6.392 3.513 5.131) 8.917 17.081 ( -1.684 4.055 6.825) 8.115 17.144 ( 3.916 -7.152 0.593) 8.176 17.249 ( -6.410 -5.939 -2.160) 9.002 17.490 ( 2.608 0.900 -1.690) 3.235 17.529 ( -10.673 -0.408 -1.902) 10.848 18.081 ( -5.289 3.694 -8.383) 10.578 18.192 ( -2.897 3.708 1.702) 5.004 18.753 ( 5.124 -0.620 -18.989) 19.678 18.913 ( 11.779 -3.865 -0.592) 12.411 24.759 ( -4.709 -0.268 0.213) 4.722 24.806 ( -3.433 -2.626 -0.723) 4.382 24.988 ( -2.030 5.875 0.070) 6.216 25.309 ( -2.326 -3.229 0.506) 4.012 26.047 ( -6.203 0.877 -1.458) 6.432 26.093 ( -5.672 -0.343 -2.475) 6.198 26.597 ( -6.780 -0.739 -2.354) 7.215 26.666 ( -4.366 -1.482 -8.291) 9.487 26.734 ( -3.074 3.074 3.805) 5.777 26.925 ( -1.480 -1.783 5.968) 6.402 27.073 ( -0.934 -2.608 2.471) 3.712 27.193 ( -2.999 -1.147 -3.232) 4.555 27.748 ( -7.942 -1.765 -1.411) 8.257 28.063 ( -13.439 -4.852 -9.345) 17.073 29.213 ( 17.207 15.858 3.199) 23.617 29.793 ( 17.441 -3.395 9.090) 19.959 ======================= Grid point 89 (46/159) ======================= q-point: (-0.15 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -39.192 19.991 4.946) 44.273 1.670 ( -37.894 23.444 -4.861) 44.825 2.699 ( -54.883 39.737 -17.204) 69.908 3.022 ( -18.082 -14.997 -2.539) 23.629 3.264 ( -4.783 -30.132 -1.344) 30.538 4.102 ( -10.937 13.910 -6.330) 18.793 4.288 ( 1.003 4.152 3.106) 5.281 4.393 ( 15.080 30.591 -3.093) 34.246 4.643 ( -0.817 13.090 5.789) 14.337 4.778 ( -8.135 -2.911 -6.965) 11.099 5.287 ( 2.381 -6.723 -1.135) 7.221 5.508 ( -9.672 -18.057 -5.168) 21.126 5.790 ( -2.640 8.608 -0.098) 9.004 6.127 ( 9.605 -16.247 -1.881) 18.967 6.311 ( 11.417 -4.579 -3.187) 12.707 6.532 ( 8.238 -4.250 -3.803) 10.020 6.660 ( 1.768 -12.903 8.727) 15.677 6.784 ( 0.656 0.253 1.047) 1.261 7.025 ( 1.603 -1.348 -0.584) 2.174 7.298 ( 22.076 -8.803 -3.975) 24.096 7.422 ( 18.573 -2.065 -1.008) 18.715 7.701 ( 24.497 -1.658 5.410) 25.142 7.886 ( 10.012 1.673 0.510) 10.164 8.218 ( 14.105 -5.916 -3.972) 15.802 8.611 ( 8.274 3.043 7.421) 11.523 8.937 ( 4.979 -3.923 0.475) 6.356 9.040 ( 7.631 -2.075 0.883) 7.957 9.212 ( 3.684 0.832 -2.666) 4.623 9.370 ( 13.828 -8.934 7.406) 18.052 9.432 ( 6.070 -8.395 8.748) 13.559 9.744 ( -0.950 0.336 4.024) 4.149 9.879 ( 18.237 -1.582 -0.509) 18.312 10.218 ( -1.998 -7.156 -12.495) 14.537 10.319 ( 9.288 -0.312 -5.751) 10.929 10.716 ( -4.252 4.011 4.634) 7.459 11.023 ( -2.840 10.111 2.561) 10.810 11.239 ( -4.277 8.298 2.322) 9.620 11.289 ( 3.765 4.324 2.922) 6.435 11.381 ( -0.387 -2.208 9.167) 9.437 11.439 ( 1.044 2.001 9.691) 9.950 11.753 ( -2.587 2.116 4.928) 5.955 11.798 ( 0.203 -2.208 5.991) 6.388 12.129 ( -3.948 0.732 -4.180) 5.796 12.249 ( 3.670 2.050 -2.670) 4.980 12.293 ( -2.332 -1.191 -2.377) 3.537 12.586 ( -3.697 8.136 -0.714) 8.965 12.696 ( -8.698 -1.508 -4.733) 10.017 13.197 ( -11.351 -10.821 -11.352) 19.360 13.391 ( -9.652 -3.948 -0.268) 10.431 13.551 ( -8.475 4.672 0.526) 9.692 13.680 ( 0.677 -3.253 -1.876) 3.816 13.750 ( -6.276 -2.514 5.726) 8.860 13.837 ( 1.525 -2.296 -6.391) 6.959 13.919 ( -13.208 -2.751 -0.968) 13.526 14.070 ( 0.034 7.197 -13.233) 15.064 14.225 ( 1.658 9.117 -0.331) 9.272 14.517 ( -0.577 -7.097 -0.258) 7.126 14.687 ( -4.090 5.853 -0.152) 7.142 14.880 ( -0.813 -6.261 4.685) 7.862 15.016 ( -9.752 -1.865 -3.945) 10.684 15.063 ( -0.876 -9.053 0.331) 9.102 15.185 ( -2.510 -9.860 12.025) 15.751 15.318 ( -5.947 -2.881 3.240) 7.360 15.613 ( -7.732 6.064 2.020) 10.032 15.772 ( -5.545 -2.745 -6.662) 9.092 16.056 ( -2.562 2.028 -2.766) 4.281 16.268 ( -4.842 -11.251 8.033) 14.648 16.384 ( -1.200 -7.150 0.994) 7.317 16.548 ( 8.952 17.096 17.854) 26.290 16.671 ( -8.926 5.528 -0.276) 10.503 16.735 ( 5.052 7.056 -6.811) 11.032 17.066 ( -8.127 0.177 -0.636) 8.154 17.168 ( -7.221 -2.193 8.022) 11.014 17.211 ( 2.186 -1.063 3.418) 4.194 17.256 ( -13.900 -1.449 -4.012) 14.539 17.589 ( 6.265 -2.597 0.472) 6.798 17.923 ( -0.123 13.247 -1.417) 13.323 18.241 ( -0.693 -0.537 5.474) 5.544 18.544 ( 5.119 7.134 -27.885) 29.235 19.109 ( 12.779 -5.497 0.725) 13.930 24.697 ( -4.123 -0.331 1.157) 4.295 24.746 ( -3.356 -2.281 -0.430) 4.080 24.955 ( -2.234 5.512 -0.029) 5.948 25.269 ( -3.017 -3.103 0.059) 4.328 25.950 ( -5.033 0.998 -0.161) 5.133 26.014 ( -4.729 -0.542 4.553) 6.587 26.486 ( -3.935 -1.605 -3.373) 5.426 26.508 ( -3.834 -1.015 -4.934) 6.330 26.706 ( -5.276 2.251 2.228) 6.154 26.982 ( -2.841 -6.445 4.684) 8.459 27.079 ( -1.798 -0.128 4.522) 4.867 27.188 ( -0.339 -4.206 5.084) 6.607 27.535 ( -15.778 -9.579 -4.584) 19.018 27.723 ( -13.156 -3.692 -11.145) 17.633 29.534 ( 24.412 26.363 -2.599) 36.024 30.139 ( 15.575 -2.129 5.010) 16.499 ======================= Grid point 90 (47/159) ======================= q-point: (-0.08 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -30.563 30.613 6.316) 43.717 1.155 ( -27.290 31.518 14.784) 44.235 1.944 ( -38.446 60.793 21.722) 75.138 2.814 ( -10.990 -18.342 5.205) 22.007 3.238 ( -0.571 -34.740 3.071) 34.880 3.947 ( -5.609 15.910 4.340) 17.419 4.328 ( -1.503 3.028 6.419) 7.255 4.595 ( 3.485 21.925 3.695) 22.506 4.657 ( -3.285 3.026 4.517) 6.352 4.740 ( 7.988 20.297 5.342) 22.457 5.235 ( -2.817 -2.270 -5.456) 6.546 5.353 ( -7.508 -21.725 5.451) 23.623 5.818 ( 6.825 2.661 -5.803) 9.346 6.190 ( 2.585 -10.828 -2.788) 11.476 6.442 ( 3.237 -7.641 1.558) 8.443 6.630 ( 7.420 3.967 -1.297) 8.513 6.695 ( -0.581 -9.072 -1.989) 9.306 6.711 ( -2.354 -15.792 -5.359) 16.842 7.090 ( 0.321 -8.991 13.858) 16.523 7.436 ( 7.855 -4.384 -1.755) 9.165 7.821 ( 20.679 -5.332 -2.134) 21.462 7.932 ( 10.623 -8.603 -3.968) 14.234 8.126 ( 13.154 3.581 1.503) 13.715 8.508 ( 16.872 2.753 6.067) 18.140 8.739 ( 1.243 3.051 4.013) 5.192 8.984 ( 1.229 -0.512 0.730) 1.518 9.134 ( 0.235 -0.602 -5.877) 5.912 9.150 ( -0.985 2.089 -3.383) 4.096 9.475 ( -14.628 -17.030 5.752) 23.175 9.663 ( 10.024 -1.184 5.551) 11.519 9.742 ( -2.655 7.894 2.439) 8.679 10.080 ( 3.446 -20.820 -6.631) 22.120 10.202 ( 14.834 -5.945 -3.685) 16.400 10.479 ( 16.562 -1.458 -4.651) 17.264 10.660 ( -9.073 7.688 -1.654) 12.007 10.821 ( -7.366 14.928 -2.366) 16.814 11.266 ( 1.648 9.837 0.888) 10.014 11.344 ( -5.705 -0.662 4.021) 7.011 11.485 ( 0.628 -6.204 7.561) 9.800 11.538 ( -1.320 -1.390 5.252) 5.591 11.786 ( 1.508 2.781 4.049) 5.139 11.821 ( -11.387 -8.233 2.015) 14.195 12.031 ( -4.440 4.311 -1.242) 6.312 12.171 ( 0.735 2.842 -5.804) 6.504 12.281 ( 3.030 -3.227 -4.594) 6.379 12.420 ( -15.365 5.961 -5.198) 17.281 12.555 ( -4.380 -1.187 -0.114) 4.539 12.722 ( -18.114 -1.318 -12.016) 21.777 13.238 ( -13.955 -0.054 2.965) 14.267 13.381 ( -7.318 -0.768 -3.178) 8.015 13.580 ( -10.026 -1.654 -0.939) 10.205 13.706 ( -3.098 8.848 -6.533) 11.427 13.756 ( 2.525 -2.289 2.239) 4.077 13.930 ( 3.267 -2.783 4.462) 6.191 14.007 ( 9.440 -1.002 -4.369) 10.450 14.295 ( 2.838 6.999 1.949) 7.800 14.475 ( -8.539 -2.280 4.970) 10.139 14.644 ( 5.572 3.689 -6.393) 9.248 14.833 ( -5.731 3.602 -2.448) 7.198 14.895 ( -5.498 -0.419 -3.052) 6.302 14.979 ( -1.958 -6.641 3.026) 7.556 15.244 ( -0.121 -10.491 2.401) 10.763 15.405 ( 0.680 -3.107 -0.863) 3.296 15.492 ( -5.720 0.633 -2.961) 6.472 15.636 ( -2.139 -3.810 -3.677) 5.710 16.006 ( 1.119 -3.220 -1.766) 3.839 16.209 ( -9.005 -15.041 -1.756) 17.619 16.386 ( 0.992 -1.615 1.504) 2.419 16.507 ( -6.496 1.611 -4.489) 8.059 16.593 ( 1.439 6.460 -18.297) 19.458 16.881 ( -1.879 4.156 2.586) 5.243 16.997 ( 6.510 5.276 5.525) 10.037 17.049 ( -10.817 -0.203 0.811) 10.850 17.117 ( -5.668 0.101 0.662) 5.707 17.289 ( -1.933 -0.136 4.900) 5.270 17.662 ( 3.105 -3.509 -2.019) 5.101 18.086 ( -1.939 3.926 -3.870) 5.844 18.332 ( -2.404 -2.926 12.474) 13.036 18.465 ( 34.705 28.522 7.783) 45.591 19.289 ( 8.664 -5.026 -0.104) 10.016 24.666 ( -2.160 -0.982 1.788) 2.971 24.701 ( -2.250 -1.958 0.771) 3.080 24.923 ( -1.279 5.330 -0.571) 5.511 25.225 ( -2.196 -2.967 -0.310) 3.704 25.891 ( -3.093 1.175 0.832) 3.412 26.133 ( 1.572 -9.039 21.737) 23.594 26.388 ( 0.838 -0.082 -5.184) 5.252 26.447 ( -1.995 -1.008 0.018) 2.235 26.650 ( -4.900 -0.888 2.327) 5.497 26.792 ( -28.126 -20.035 -0.215) 34.533 27.098 ( -6.423 1.468 2.046) 6.898 27.213 ( -9.209 -0.929 -5.072) 10.554 27.282 ( -2.896 -1.509 11.386) 11.845 27.508 ( -1.575 -3.536 2.400) 4.554 29.869 ( 32.050 31.387 -20.028) 49.127 30.351 ( 9.428 -0.940 -6.081) 11.259 ======================= Grid point 91 (48/159) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -1.903 34.553 15.180) 37.788 1.900 ( 0.766 37.027 21.797) 42.973 2.323 ( -1.526 -29.648 11.566) 31.861 2.615 ( 0.193 -37.656 14.026) 40.184 3.274 ( 1.833 59.329 30.668) 66.812 4.145 ( 1.123 -19.516 14.621) 24.411 4.479 ( -1.552 6.936 15.213) 16.791 4.678 ( 2.330 -14.710 0.242) 14.896 4.800 ( -3.404 4.853 5.276) 7.936 4.970 ( -0.174 -13.313 16.852) 21.477 5.302 ( -0.358 26.558 -1.818) 26.622 5.520 ( 6.157 24.385 -5.564) 25.758 5.792 ( 9.531 -7.075 -17.275) 20.959 5.828 ( -5.439 -20.874 -5.729) 22.318 6.126 ( -5.307 -5.430 -8.839) 11.652 6.339 ( 1.930 -22.734 10.549) 25.136 6.729 ( -1.332 13.707 20.995) 25.109 6.973 ( -3.036 -0.088 14.370) 14.687 7.114 ( 6.018 2.170 8.706) 10.803 7.392 ( 1.078 -14.964 1.876) 15.120 7.809 ( 6.919 -4.196 -3.276) 8.730 7.848 ( 3.477 -5.399 -5.587) 8.511 8.417 ( -0.785 10.751 -4.337) 11.619 8.564 ( -2.957 -5.553 -3.214) 7.065 8.889 ( -15.065 4.553 -3.641) 16.154 8.929 ( -13.818 0.802 -3.776) 14.347 9.050 ( 4.165 4.047 1.083) 5.907 9.098 ( 2.338 -1.117 0.919) 2.750 9.266 ( 0.180 9.385 -7.021) 11.722 9.528 ( -4.065 -14.684 -9.282) 17.841 9.799 ( -1.474 0.604 2.516) 2.978 9.861 ( 7.044 -8.901 5.055) 12.426 10.340 ( 4.100 8.521 0.778) 9.488 10.499 ( 1.749 -5.530 -3.873) 6.975 10.803 ( 2.333 11.621 1.427) 11.938 10.987 ( 7.611 -2.570 -2.590) 8.440 11.187 ( -13.303 1.586 5.496) 14.481 11.296 ( -6.258 -6.465 0.504) 9.012 11.448 ( -3.474 3.256 0.948) 4.855 11.535 ( -5.881 -3.527 -1.655) 7.054 11.712 ( 0.962 4.630 -0.192) 4.733 11.769 ( -1.063 -1.627 -0.979) 2.176 12.126 ( -0.661 9.497 -7.013) 11.824 12.210 ( -4.595 2.475 -4.959) 7.200 12.295 ( -1.146 3.687 -4.579) 5.990 12.442 ( 9.485 0.086 1.410) 9.589 12.467 ( 1.226 -5.166 -3.332) 6.269 12.500 ( 9.930 -6.838 4.765) 12.964 13.125 ( -1.135 7.794 -6.075) 9.947 13.296 ( -2.692 -9.042 -3.953) 10.229 13.501 ( 4.326 10.707 7.146) 13.580 13.730 ( 3.227 -10.949 5.953) 12.874 13.946 ( -1.541 12.885 -2.799) 13.275 13.985 ( -0.558 5.781 8.566) 10.349 14.127 ( 5.672 -4.858 7.263) 10.418 14.268 ( 0.065 -5.781 -1.821) 6.061 14.585 ( 1.311 8.770 -11.294) 14.359 14.700 ( 3.932 -2.251 -8.750) 9.853 14.834 ( 1.974 -0.437 0.534) 2.091 14.872 ( -1.506 -4.349 -0.139) 4.604 14.925 ( -0.932 5.135 4.126) 6.653 15.004 ( -2.886 -2.794 2.350) 4.654 15.242 ( -3.684 3.650 -7.608) 9.207 15.422 ( 3.045 -1.838 -15.986) 16.377 15.553 ( -2.742 -13.554 -3.706) 14.317 15.558 ( -0.407 -6.111 0.715) 6.167 16.212 ( -3.513 7.373 3.579) 8.916 16.325 ( -3.758 -5.165 1.995) 6.692 16.517 ( 4.473 7.228 -3.208) 9.085 16.617 ( 5.502 -2.298 -0.995) 6.045 16.889 ( -2.397 1.463 -3.669) 4.620 16.920 ( -1.968 -2.101 -2.070) 3.546 17.080 ( 1.271 0.455 3.374) 3.634 17.091 ( 0.203 -0.836 3.087) 3.205 17.405 ( -0.521 10.192 -2.657) 10.545 17.571 ( 0.470 -6.833 -1.909) 7.111 18.204 ( -1.516 7.852 6.137) 10.080 18.324 ( -3.572 -4.579 7.334) 9.355 19.090 ( 6.019 4.770 2.414) 8.051 19.225 ( 0.379 -7.887 -0.254) 7.900 24.656 ( 0.183 0.225 1.189) 1.224 24.671 ( 0.070 -1.395 2.018) 2.454 25.015 ( 0.167 6.186 -0.878) 6.251 25.124 ( 0.102 -5.228 -0.781) 5.287 25.914 ( -1.521 3.079 2.473) 4.232 26.002 ( -5.290 -6.755 5.235) 10.051 26.414 ( -1.269 2.397 -0.159) 2.717 26.465 ( 1.594 -2.691 1.466) 3.454 26.530 ( 2.641 0.196 5.062) 5.713 26.574 ( 1.108 -3.260 2.802) 4.439 27.019 ( -4.176 2.101 -5.580) 7.279 27.059 ( -3.489 -1.869 -3.154) 5.061 27.501 ( 2.786 5.345 16.323) 17.400 27.610 ( 4.698 -5.812 17.545) 19.071 30.171 ( 3.510 7.209 -21.821) 23.247 30.237 ( -1.931 -0.894 -15.529) 15.674 ======================= Grid point 92 (49/159) ======================= q-point: ( 0.08 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 10.547 29.775 19.450) 37.096 2.290 ( 10.087 27.972 26.851) 40.064 2.558 ( 11.333 -28.427 13.735) 33.543 2.852 ( 3.856 -30.964 19.580) 36.838 3.916 ( 21.084 43.604 40.124) 62.895 4.397 ( 5.013 1.004 3.013) 5.934 4.487 ( -6.792 -0.976 -3.786) 7.837 4.670 ( 5.207 -15.138 7.729) 17.776 4.964 ( -1.389 9.099 14.544) 17.211 5.238 ( 4.978 -10.430 15.633) 19.441 5.288 ( -0.320 10.294 4.125) 11.095 5.497 ( 4.494 11.987 -0.725) 12.822 5.563 ( -4.144 -11.100 -15.692) 19.663 5.833 ( 5.418 -21.011 -1.894) 21.781 6.063 ( -6.187 13.848 10.291) 18.330 6.462 ( -8.280 -24.305 15.548) 30.017 6.875 ( -8.320 13.333 8.115) 17.688 6.982 ( -10.550 2.748 4.138) 11.661 7.326 ( 3.308 2.802 9.966) 10.868 7.438 ( 3.155 -8.426 7.045) 11.427 7.721 ( -7.946 3.209 -3.502) 9.258 7.842 ( -4.001 -7.663 -2.253) 8.934 8.157 ( -27.045 3.785 -3.453) 27.525 8.257 ( -22.168 -9.017 -1.505) 23.979 8.724 ( -1.152 2.826 -4.003) 5.034 8.784 ( 4.311 -3.709 -4.578) 7.301 8.993 ( -7.612 10.230 -5.928) 14.062 9.111 ( -0.220 -0.674 -3.608) 3.677 9.218 ( -2.044 3.923 -3.701) 5.767 9.373 ( -4.560 -7.272 -2.877) 9.053 9.781 ( -4.926 5.339 2.901) 7.822 9.958 ( -1.661 -13.813 3.297) 14.298 10.396 ( 2.517 3.828 -2.149) 5.060 10.433 ( 0.111 0.686 -2.168) 2.276 10.877 ( -2.760 4.938 4.780) 7.406 11.026 ( -2.576 -7.596 0.875) 8.069 11.129 ( 3.895 6.799 -0.124) 7.837 11.219 ( -2.541 -1.820 -1.818) 3.616 11.306 ( -10.430 1.205 -6.973) 12.604 11.343 ( -9.835 -1.444 -2.220) 10.185 11.716 ( -0.992 2.865 -0.934) 3.173 11.740 ( -1.643 0.417 -1.054) 1.996 12.105 ( 7.144 4.236 -3.818) 9.141 12.159 ( 4.433 -2.654 -0.589) 5.200 12.288 ( 6.142 10.655 -4.180) 12.990 12.496 ( 9.072 -6.666 -4.451) 12.105 12.600 ( 7.364 1.932 -3.499) 8.379 12.728 ( 13.561 -13.383 -3.262) 19.330 13.133 ( 7.426 7.086 -4.490) 11.204 13.258 ( 4.944 -4.713 -6.784) 9.627 13.648 ( 5.061 10.677 3.055) 12.205 13.829 ( 0.628 -7.808 4.238) 8.906 13.946 ( 5.358 10.161 1.760) 11.621 14.066 ( 2.292 7.223 1.894) 7.811 14.222 ( -0.265 -10.565 -0.561) 10.583 14.251 ( -0.533 -3.804 -0.994) 3.968 14.558 ( 5.592 5.216 -2.712) 8.113 14.637 ( 0.073 -4.073 -0.793) 4.150 14.788 ( 0.959 6.999 -2.249) 7.414 14.942 ( 2.354 -9.015 1.289) 9.406 14.973 ( 0.249 6.365 3.803) 7.419 15.055 ( -0.579 -2.244 5.607) 6.067 15.162 ( 8.497 3.891 -8.706) 12.772 15.279 ( 6.808 -2.605 -18.750) 20.117 15.459 ( -1.911 -3.161 -3.785) 5.289 15.556 ( 1.773 -12.919 0.066) 13.040 16.207 ( -1.398 5.697 1.413) 6.034 16.266 ( -3.587 -1.541 -1.373) 4.138 16.570 ( 0.784 7.478 1.096) 7.599 16.675 ( 1.404 -0.932 -1.262) 2.105 16.814 ( 0.539 3.274 -6.124) 6.965 16.893 ( 6.010 -3.223 -2.084) 7.131 17.173 ( 2.053 0.692 6.077) 6.452 17.211 ( 3.327 -3.880 6.157) 8.003 17.355 ( 0.269 10.295 -2.264) 10.544 17.536 ( -1.493 -7.677 -2.519) 8.216 18.264 ( -1.726 6.276 8.333) 10.574 18.331 ( -5.219 -0.715 5.935) 7.936 19.115 ( -3.863 -0.483 1.334) 4.115 19.164 ( -6.738 -4.777 0.752) 8.294 24.694 ( 2.186 0.575 2.033) 3.040 24.715 ( 1.596 -1.644 2.929) 3.719 25.021 ( 1.891 6.176 -0.828) 6.512 25.130 ( 2.067 -5.242 -1.163) 5.753 25.946 ( 2.335 2.451 1.812) 3.839 26.007 ( 0.338 -4.087 2.819) 4.977 26.430 ( 4.401 3.490 -0.183) 5.620 26.490 ( 4.265 -1.913 -1.526) 4.917 26.640 ( 3.045 1.885 3.367) 4.916 26.703 ( 5.747 -4.304 0.938) 7.241 26.967 ( 2.194 -1.042 -0.658) 2.517 27.008 ( 1.212 -5.180 -0.512) 5.344 27.762 ( 2.957 7.969 18.024) 19.927 27.915 ( 4.583 -7.767 19.548) 21.528 29.822 ( -9.724 11.096 -22.675) 27.052 29.945 ( -8.713 -3.196 -18.729) 20.903 ======================= Grid point 93 (50/159) ======================= q-point: ( 0.15 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 16.325 25.207 20.660) 36.452 2.840 ( 18.014 17.484 27.101) 36.941 2.967 ( 17.450 -26.565 15.308) 35.278 3.217 ( 11.818 -21.039 21.276) 32.171 4.267 ( -1.891 -0.194 -11.339) 11.497 4.325 ( -4.260 -5.207 -8.766) 11.050 4.676 ( 10.084 18.046 13.647) 24.771 4.808 ( 0.956 3.237 0.962) 3.510 5.094 ( 4.336 19.062 10.911) 22.388 5.315 ( 4.495 2.624 -15.045) 15.920 5.422 ( 6.169 -3.212 12.846) 14.608 5.477 ( -1.065 -10.009 13.556) 16.884 5.727 ( 5.805 1.371 12.415) 13.774 5.972 ( 1.717 -12.601 12.472) 17.812 6.115 ( -5.048 4.360 15.081) 16.490 6.366 ( -19.342 -14.408 4.802) 24.592 6.768 ( -16.732 2.790 1.679) 17.046 6.808 ( -8.836 -1.021 9.219) 12.810 7.361 ( -10.365 14.182 0.194) 17.567 7.466 ( -24.277 5.280 -3.363) 25.071 7.547 ( -8.669 12.837 -5.155) 16.326 7.662 ( -0.817 -5.154 11.520) 12.647 7.786 ( -15.440 -5.335 2.084) 16.468 8.056 ( -9.113 -30.239 4.323) 31.877 8.632 ( -9.668 9.993 -2.416) 14.113 8.760 ( -5.801 -0.302 -4.475) 7.332 8.872 ( 4.055 2.830 -2.077) 5.363 8.963 ( -7.204 -4.018 -4.491) 9.392 9.121 ( -5.995 6.476 -1.720) 8.991 9.278 ( -7.017 -6.276 -0.231) 9.417 9.734 ( -7.581 5.617 6.110) 11.241 9.901 ( -10.181 -11.842 5.662) 16.611 10.432 ( 11.388 6.868 -4.337) 13.988 10.508 ( 8.217 -1.462 0.087) 8.347 10.849 ( -8.738 6.998 6.748) 13.071 10.985 ( -11.027 -5.725 1.744) 12.546 11.032 ( -6.477 1.793 -8.548) 10.874 11.093 ( -2.466 -3.924 -2.813) 5.422 11.216 ( 4.070 3.793 -3.524) 6.585 11.272 ( 0.299 -1.723 -0.319) 1.778 11.666 ( -2.052 2.064 -2.298) 3.708 11.693 ( -2.389 -0.373 -0.989) 2.612 12.179 ( 6.805 7.260 -6.034) 11.637 12.261 ( 3.104 -0.919 1.217) 3.459 12.396 ( 14.745 8.617 -1.093) 17.113 12.595 ( 10.018 -9.679 -3.546) 14.374 12.610 ( 2.540 4.517 -5.526) 7.576 12.823 ( 6.695 -18.037 -7.056) 20.492 13.160 ( 9.789 5.606 -11.180) 15.882 13.252 ( 7.964 -4.483 -11.114) 14.389 13.709 ( 0.944 8.815 -0.563) 8.883 13.847 ( -1.688 -4.739 2.178) 5.482 14.086 ( -1.910 0.419 2.656) 3.299 14.100 ( -0.632 4.138 -4.417) 6.085 14.207 ( 7.610 -0.466 -0.997) 7.689 14.237 ( 10.003 0.540 -3.578) 10.637 14.621 ( 1.383 2.493 0.700) 2.936 14.657 ( -1.618 2.205 1.592) 3.165 14.841 ( 4.640 4.705 1.962) 6.893 14.972 ( -2.427 -4.320 6.646) 8.290 15.076 ( 8.886 2.203 -1.294) 9.246 15.089 ( -3.618 -1.757 8.170) 9.107 15.154 ( 7.884 1.464 -9.830) 12.686 15.255 ( 11.756 -6.121 -12.663) 18.330 15.481 ( 7.650 2.876 0.293) 8.178 15.642 ( 8.986 -14.257 -1.839) 16.952 16.179 ( -0.565 4.717 -2.983) 5.609 16.221 ( 0.373 0.389 -0.874) 1.027 16.516 ( -3.398 4.857 -4.495) 7.439 16.602 ( -2.813 -3.097 -7.065) 8.211 16.848 ( 4.041 10.618 2.888) 11.722 17.014 ( 6.624 -2.857 2.871) 7.764 17.171 ( -5.980 2.039 -3.230) 7.096 17.258 ( 0.748 -3.525 3.441) 4.983 17.454 ( 6.186 -0.404 2.342) 6.627 17.496 ( 0.549 -4.501 0.077) 4.535 18.329 ( -3.609 3.923 5.916) 7.964 18.363 ( 0.810 0.703 9.362) 9.424 19.035 ( -6.211 0.941 -0.218) 6.286 19.089 ( -5.318 -4.465 2.173) 7.276 24.765 ( 3.076 0.616 2.570) 4.056 24.785 ( 2.191 -1.438 3.581) 4.437 25.046 ( 2.608 5.909 -0.985) 6.533 25.152 ( 2.800 -5.082 -1.815) 6.080 26.029 ( 5.661 1.953 1.519) 6.178 26.077 ( 4.723 -3.218 1.819) 5.998 26.541 ( 9.024 2.118 0.460) 9.280 26.562 ( 7.447 0.157 -2.675) 7.915 26.669 ( 0.853 5.160 -0.987) 5.323 26.791 ( 3.547 -5.931 2.687) 7.414 27.009 ( 4.938 1.893 0.402) 5.304 27.112 ( 7.620 -7.999 2.519) 11.332 27.995 ( 0.234 10.859 15.584) 18.996 28.195 ( 1.905 -9.937 17.727) 20.412 29.391 ( -12.632 10.806 -19.080) 25.306 29.543 ( -12.450 -5.675 -19.335) 23.686 ======================= Grid point 94 (51/159) ======================= q-point: ( 0.23 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 18.153 21.416 17.926) 33.309 3.384 ( 13.186 -15.158 18.494) 27.307 3.499 ( 22.099 2.900 22.135) 31.412 3.708 ( 16.560 -13.243 20.274) 29.337 4.108 ( -2.738 1.165 -9.910) 10.347 4.181 ( 2.334 -6.401 -9.459) 11.657 4.541 ( -5.700 6.197 -11.806) 14.501 4.712 ( -7.431 -10.294 -13.586) 18.594 5.181 ( 4.887 17.934 -8.422) 20.407 5.277 ( -2.280 11.019 -5.555) 12.549 5.537 ( -11.414 -12.943 3.798) 17.670 5.581 ( -10.633 -11.128 7.035) 16.923 5.969 ( 6.954 9.210 9.231) 14.779 6.047 ( 0.534 4.818 9.424) 10.598 6.253 ( -5.052 -4.584 11.027) 12.967 6.290 ( -7.429 -6.089 16.234) 18.863 6.571 ( -16.507 9.696 4.462) 19.657 6.765 ( -11.869 -9.967 9.439) 18.147 7.119 ( -14.492 1.375 -1.744) 14.661 7.123 ( -11.241 0.902 8.872) 14.348 7.431 ( -2.577 25.398 -2.706) 25.671 7.625 ( -7.764 4.920 2.466) 9.517 7.782 ( -3.332 -11.163 7.122) 13.654 7.958 ( -5.791 -28.026 -2.726) 28.747 8.437 ( -11.500 12.298 2.832) 17.073 8.633 ( -5.339 -6.483 -1.172) 8.480 8.766 ( -12.110 11.306 3.094) 16.854 8.946 ( -5.524 -6.485 2.166) 8.790 9.029 ( 1.032 6.789 -1.848) 7.111 9.193 ( -4.303 -8.112 2.043) 9.407 9.693 ( -8.044 5.857 6.793) 12.048 9.834 ( -8.567 -7.811 7.231) 13.663 10.583 ( 7.398 6.024 -2.365) 9.829 10.644 ( 1.405 2.982 3.512) 4.817 10.754 ( 2.458 -1.048 -4.530) 5.260 10.782 ( -7.787 -1.792 -2.889) 8.497 10.925 ( -2.877 5.153 -1.487) 6.087 11.044 ( -4.908 -6.038 -0.467) 7.795 11.240 ( 1.888 1.453 1.405) 2.766 11.298 ( -0.729 -3.558 5.561) 6.642 11.629 ( 0.635 1.824 -1.728) 2.592 11.664 ( 0.499 -1.188 0.609) 1.425 12.150 ( 2.648 9.553 -8.612) 13.132 12.281 ( 1.567 -2.712 -2.317) 3.896 12.515 ( 2.192 6.732 -11.109) 13.173 12.632 ( 5.856 -0.721 0.188) 5.904 12.698 ( 6.653 -5.308 -3.356) 9.149 12.790 ( 5.049 -16.832 -10.537) 20.490 13.212 ( 11.733 5.095 -7.518) 14.837 13.302 ( 13.959 -5.102 -3.755) 15.329 13.714 ( 2.087 6.901 -0.306) 7.217 13.842 ( -0.458 -4.165 -0.150) 4.193 13.975 ( -5.373 0.504 -2.398) 5.905 14.037 ( -2.279 -4.541 -0.277) 5.088 14.360 ( 10.388 7.326 -4.317) 13.424 14.394 ( 12.495 1.812 -4.746) 13.488 14.569 ( -6.905 6.882 2.947) 10.185 14.651 ( -0.578 5.927 -0.825) 6.012 14.889 ( -3.343 -3.050 3.317) 5.611 14.985 ( -4.533 -4.942 3.338) 7.491 15.139 ( 3.639 4.485 1.961) 6.099 15.231 ( 12.283 3.436 -2.319) 12.964 15.244 ( 10.249 -4.717 -2.744) 11.611 15.349 ( 12.370 -5.482 -2.455) 13.751 15.606 ( 7.107 2.065 -0.344) 7.409 15.719 ( 4.684 -10.213 -3.998) 11.926 16.155 ( 1.156 6.377 -2.046) 6.797 16.257 ( 5.966 -1.993 -1.665) 6.507 16.391 ( -4.415 3.047 -5.939) 8.003 16.463 ( -1.280 -2.238 -10.368) 10.684 16.923 ( 0.582 8.220 3.626) 9.003 17.045 ( -3.034 0.932 -3.903) 5.031 17.144 ( 4.528 1.804 5.195) 7.124 17.313 ( 2.321 -10.643 2.740) 11.233 17.514 ( 3.070 3.240 1.097) 4.597 17.580 ( 3.906 -3.648 2.265) 5.805 18.369 ( -0.408 8.059 5.439) 9.731 18.503 ( 2.452 -5.804 8.119) 10.277 18.941 ( -4.794 4.289 -0.794) 6.482 19.035 ( -4.224 -5.232 0.731) 6.764 24.843 ( 2.865 0.710 2.476) 3.853 24.863 ( 2.032 -1.249 3.596) 4.315 25.072 ( 2.280 5.176 -1.182) 5.778 25.166 ( 2.356 -4.627 -2.537) 5.778 26.149 ( 7.264 1.419 1.377) 7.528 26.184 ( 6.387 -2.397 1.226) 6.931 26.609 ( 2.610 2.961 -2.588) 4.719 26.648 ( 4.985 -1.827 -2.761) 5.985 26.754 ( 9.837 5.880 2.806) 11.799 26.901 ( 5.951 -8.516 4.471) 11.310 27.129 ( 8.332 6.638 1.573) 10.769 27.269 ( 8.765 -7.456 2.436) 11.762 28.142 ( -3.080 13.986 12.619) 19.088 28.392 ( -1.936 -12.123 14.534) 19.025 28.980 ( -12.411 8.303 -16.674) 22.383 29.119 ( -12.506 -6.243 -18.104) 22.872 ======================= Grid point 95 (52/159) ======================= q-point: ( 0.31 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( 4.179 16.876 10.690) 20.409 3.653 ( -7.991 -9.001 6.930) 13.889 3.856 ( -11.584 5.774 5.358) 14.008 3.937 ( -0.494 -2.753 5.130) 5.843 4.146 ( 12.697 -0.115 -2.026) 12.858 4.216 ( 14.325 -5.918 -0.113) 15.499 4.451 ( 16.085 -1.405 -1.086) 16.183 4.568 ( 10.878 -12.858 -6.178) 17.940 5.132 ( -5.219 7.377 -3.392) 9.652 5.151 ( 8.671 16.243 -12.220) 22.099 5.346 ( -9.587 -12.650 -2.210) 16.026 5.462 ( -0.546 -14.129 -4.073) 14.714 5.941 ( -16.258 4.877 4.477) 17.554 6.018 ( -12.371 -4.364 5.805) 14.346 6.290 ( -5.235 0.163 5.627) 7.687 6.333 ( -10.882 -1.182 8.539) 13.883 6.383 ( -11.328 10.372 2.291) 15.529 6.630 ( -12.694 -11.741 -1.114) 17.327 7.023 ( -7.231 4.002 2.359) 8.595 7.133 ( -8.219 -5.765 0.555) 10.054 7.400 ( 1.799 23.781 3.410) 24.092 7.595 ( 2.349 12.425 0.367) 12.650 7.791 ( -5.777 -13.904 8.431) 17.256 7.863 ( 4.075 -15.409 -6.539) 17.228 8.376 ( -4.457 9.501 6.293) 12.237 8.566 ( -6.226 -9.478 3.935) 12.003 8.690 ( -5.120 15.809 6.977) 18.022 8.859 ( -6.390 -2.264 2.747) 7.315 9.008 ( -4.475 2.868 -0.494) 5.338 9.143 ( -7.492 -9.568 1.543) 12.250 9.671 ( -4.304 9.738 6.263) 12.352 9.799 ( -5.222 -1.254 3.774) 6.564 10.519 ( -8.544 -1.578 2.013) 8.919 10.539 ( -10.621 -2.785 -0.625) 10.998 10.758 ( 6.309 8.181 -8.057) 13.102 10.832 ( 2.361 2.312 0.119) 3.307 10.889 ( -4.811 -3.082 3.066) 6.484 11.017 ( 4.481 -9.146 1.872) 10.355 11.282 ( -0.093 3.611 2.566) 4.431 11.366 ( 0.807 -4.172 4.771) 6.389 11.644 ( 3.536 6.531 0.284) 7.433 11.757 ( 4.882 -4.404 5.579) 8.623 12.099 ( 2.757 9.110 -5.997) 11.250 12.278 ( 2.711 -9.511 -4.179) 10.736 12.384 ( -0.460 6.750 -8.913) 11.190 12.570 ( -3.401 -9.744 -6.318) 12.101 12.701 ( 3.269 -2.219 -10.000) 10.752 12.760 ( 2.511 -10.017 -4.060) 11.097 13.375 ( 12.717 10.068 -0.289) 16.222 13.525 ( 14.743 -6.077 -1.806) 16.048 13.756 ( 1.318 3.641 0.845) 3.963 13.869 ( 0.421 -7.320 2.505) 7.749 13.931 ( 3.891 7.453 3.638) 9.161 14.048 ( 0.122 -4.576 4.689) 6.552 14.369 ( 2.276 10.779 -8.213) 13.742 14.444 ( -1.573 4.539 -0.649) 4.848 14.562 ( 5.490 2.872 -3.861) 7.300 14.640 ( 2.796 3.587 -3.794) 5.922 14.862 ( -5.269 -3.959 5.146) 8.362 14.937 ( -5.885 -6.510 3.631) 9.498 15.225 ( 5.895 5.342 -0.253) 7.960 15.270 ( 4.120 0.276 -8.423) 9.381 15.409 ( 8.286 -1.504 -0.443) 8.433 15.494 ( 5.727 -8.880 0.202) 10.568 15.696 ( 5.678 2.032 -0.568) 6.057 15.746 ( 5.908 -3.780 -1.814) 7.244 16.132 ( -3.481 7.395 0.002) 8.173 16.245 ( -5.621 -0.313 -4.243) 7.049 16.326 ( 6.991 -1.971 -7.274) 10.279 16.336 ( 1.585 -1.982 -6.307) 6.798 16.985 ( 1.514 4.431 3.273) 5.713 17.024 ( 3.860 0.617 0.014) 3.909 17.281 ( 3.919 3.043 5.711) 7.565 17.380 ( 1.899 -5.775 2.574) 6.601 17.591 ( 4.831 2.286 1.198) 5.477 17.664 ( 4.777 -4.612 1.566) 6.822 18.427 ( 0.606 8.806 2.844) 9.274 18.580 ( -2.437 -7.046 2.089) 7.743 18.894 ( 0.224 3.785 0.345) 3.807 18.975 ( -3.316 -4.464 -0.696) 5.604 24.908 ( 2.077 0.881 1.771) 2.868 24.928 ( 1.321 -1.028 2.572) 3.068 25.089 ( 1.622 3.975 -0.896) 4.386 25.164 ( 1.673 -3.849 -2.637) 4.957 26.275 ( 6.752 0.755 1.018) 6.870 26.294 ( 5.943 -1.312 0.793) 6.137 26.611 ( 1.325 3.762 -1.508) 4.264 26.677 ( 3.156 -3.323 -2.058) 5.024 26.945 ( 9.643 4.614 1.779) 10.837 27.062 ( 7.319 -7.210 3.513) 10.858 27.295 ( 9.156 8.158 3.464) 12.743 27.444 ( 9.524 -7.125 3.046) 12.278 28.215 ( -4.665 14.695 9.854) 18.298 28.457 ( -8.789 -8.872 4.403) 13.242 28.638 ( -7.434 2.760 -9.142) 12.102 28.742 ( -9.977 -6.105 -14.148) 18.357 ======================= Grid point 96 (53/159) ======================= q-point: ( 0.38 0.40 -0.88) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.230 ( -22.496 6.497 2.774) 23.580 3.316 ( -25.161 -1.621 -2.576) 25.345 3.805 ( -3.194 8.776 -1.354) 9.437 3.910 ( -2.497 0.337 3.042) 3.951 4.367 ( 18.692 2.450 -3.140) 19.112 4.477 ( 13.869 -3.482 0.705) 14.316 4.670 ( 15.266 -4.946 -5.256) 16.886 4.779 ( 4.162 -11.271 1.500) 12.108 5.120 ( 9.383 10.279 -9.957) 17.113 5.165 ( 14.288 3.134 0.570) 14.639 5.390 ( 8.185 -3.611 6.880) 11.286 5.514 ( 7.643 -13.943 3.216) 16.223 5.784 ( -11.343 6.383 7.540) 15.042 5.939 ( -8.979 -11.162 3.841) 14.832 6.082 ( -10.163 7.646 -13.065) 18.233 6.197 ( -10.275 -6.642 -4.496) 13.034 6.280 ( -11.979 2.639 7.883) 14.580 6.428 ( -14.170 -9.194 5.490) 17.761 6.787 ( -14.630 2.350 -7.529) 16.621 6.909 ( -9.786 -8.476 -6.426) 14.453 7.426 ( 1.969 19.256 -5.489) 20.120 7.718 ( 1.713 -3.212 2.492) 4.411 7.774 ( 4.789 7.161 -2.015) 8.847 7.934 ( 2.534 -2.664 2.773) 4.605 8.434 ( 1.255 5.441 5.277) 7.683 8.530 ( -3.183 -3.909 1.035) 5.146 8.682 ( -3.576 10.230 -0.144) 10.838 8.815 ( -5.387 -0.895 2.334) 5.939 8.919 ( -5.797 -2.198 1.878) 6.478 8.995 ( -8.199 -8.094 -3.048) 11.917 9.679 ( -2.777 11.284 1.920) 11.778 9.758 ( -2.739 4.562 -0.231) 5.326 10.354 ( -9.772 1.928 -0.143) 9.961 10.462 ( -5.787 -9.188 2.970) 11.257 10.701 ( -2.322 5.624 -1.770) 6.337 10.795 ( -7.242 -0.162 -0.722) 7.279 10.932 ( 5.388 1.817 0.335) 5.696 11.073 ( 2.107 -8.351 -1.253) 8.704 11.360 ( 4.977 0.701 3.688) 6.234 11.424 ( 1.234 -3.971 1.203) 4.329 11.743 ( 5.238 7.039 3.750) 9.542 11.875 ( 1.973 -6.458 3.431) 7.575 12.051 ( -0.999 9.553 -4.862) 10.765 12.261 ( 2.091 -5.448 -1.682) 6.073 12.344 ( 0.674 -0.989 -0.951) 1.528 12.488 ( 0.274 -9.454 -0.646) 9.480 12.659 ( 2.182 -0.447 -1.348) 2.604 12.755 ( 1.123 -10.643 -0.479) 10.713 13.498 ( 6.446 8.939 -4.670) 11.969 13.646 ( 7.741 -6.698 -5.634) 11.685 13.803 ( 2.864 6.217 1.927) 7.111 13.888 ( -0.020 -2.146 2.016) 2.944 14.097 ( 0.558 8.715 2.019) 8.963 14.158 ( 5.197 4.687 8.461) 10.980 14.318 ( 3.027 4.850 -3.747) 6.836 14.428 ( 0.398 -1.819 4.209) 4.603 14.543 ( 2.021 0.167 -8.471) 8.710 14.616 ( 0.904 -2.255 -6.474) 6.915 14.886 ( -3.762 -2.014 9.724) 10.619 14.914 ( -4.145 -4.086 5.170) 7.785 15.200 ( 1.002 7.502 -5.803) 9.537 15.325 ( 7.332 -1.714 0.419) 7.541 15.467 ( 1.168 -0.680 0.219) 1.370 15.550 ( 2.660 -7.047 0.869) 7.582 15.782 ( 4.989 1.718 -0.748) 5.330 15.812 ( 5.466 -1.284 -3.298) 6.512 16.052 ( -6.754 4.277 1.388) 8.114 16.149 ( -5.018 -5.141 1.713) 7.385 16.317 ( 6.206 3.231 -3.381) 7.771 16.383 ( 4.724 -3.884 -0.697) 6.156 17.037 ( 1.283 6.005 1.139) 6.245 17.094 ( 1.969 0.129 0.648) 2.077 17.381 ( 2.779 1.810 2.089) 3.919 17.441 ( 3.192 -3.707 1.388) 5.085 17.682 ( 4.824 3.081 0.671) 5.763 17.769 ( 4.939 -5.004 2.257) 7.384 18.438 ( -0.443 4.501 -1.287) 4.702 18.491 ( -5.201 -1.003 -3.957) 6.611 18.925 ( -1.331 -0.861 -1.430) 2.135 18.938 ( 2.388 -2.355 1.120) 3.536 24.947 ( 1.078 0.881 0.508) 1.482 24.963 ( 0.416 -0.697 0.996) 1.285 25.103 ( 1.013 2.888 -0.141) 3.064 25.161 ( 1.427 -3.067 -1.664) 3.770 26.368 ( 4.107 0.545 0.206) 4.148 26.381 ( 4.243 -0.737 0.363) 4.321 26.616 ( 1.134 4.547 -0.824) 4.758 26.702 ( 2.849 -4.453 -1.598) 5.522 27.071 ( 6.315 5.060 -1.508) 8.232 27.181 ( 4.420 -6.231 0.430) 7.651 27.486 ( 7.504 7.205 5.583) 11.806 27.625 ( 7.740 -6.888 3.727) 11.011 28.185 ( -7.612 8.161 -7.855) 13.647 28.285 ( -4.254 3.354 3.063) 6.223 28.432 ( -6.932 1.836 -8.502) 11.122 28.615 ( -4.710 -11.561 6.478) 14.065 ======================= Grid point 97 (54/159) ======================= q-point: ( 0.46 0.40 -0.88) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -11.875 2.640 3.346) 12.617 3.019 ( -8.212 -1.852 0.539) 8.436 3.778 ( -1.326 11.515 4.534) 12.447 3.917 ( -1.385 -2.090 4.564) 5.207 4.581 ( 8.078 2.773 -0.261) 8.545 4.603 ( 6.231 3.116 -2.398) 7.368 4.778 ( 5.412 -1.065 -4.356) 7.029 4.852 ( 10.949 -6.402 -1.964) 12.835 5.199 ( 6.829 8.461 -3.518) 11.428 5.359 ( 8.532 -3.005 -6.659) 11.232 5.543 ( 2.099 -1.408 -0.116) 2.530 5.614 ( -12.565 3.821 -11.588) 17.515 5.642 ( -0.521 -8.060 -5.129) 9.567 5.723 ( -9.670 -10.291 -8.933) 16.710 5.866 ( -0.773 0.818 0.245) 1.152 5.993 ( -8.924 -8.423 -5.273) 13.356 6.265 ( -1.101 0.273 12.273) 12.325 6.367 ( -6.476 -9.941 11.809) 16.740 6.624 ( 1.550 5.364 3.053) 6.364 6.789 ( -0.240 -11.290 1.604) 11.405 7.362 ( 2.082 18.529 -9.766) 21.048 7.628 ( -0.613 -7.542 -11.121) 13.451 7.878 ( 1.962 12.122 1.817) 12.414 7.968 ( -0.239 2.750 0.877) 2.897 8.405 ( -2.843 3.461 -11.400) 12.249 8.446 ( -4.474 0.531 -7.873) 9.071 8.638 ( 1.791 3.347 -2.898) 4.776 8.705 ( -4.575 -0.647 -4.264) 6.287 8.849 ( -3.428 -1.137 1.056) 3.763 8.957 ( -1.222 -8.533 7.036) 11.128 9.635 ( -1.963 9.122 -2.691) 9.711 9.696 ( -1.080 3.519 -5.200) 6.371 10.243 ( -4.066 4.896 -0.019) 6.364 10.387 ( -3.824 -10.137 -3.159) 11.285 10.648 ( -3.488 1.936 -3.682) 5.429 10.684 ( -1.527 -1.292 -0.145) 2.006 10.994 ( 2.881 7.693 0.629) 8.239 11.100 ( 1.791 -5.403 -0.698) 5.735 11.411 ( -0.962 -0.386 -3.094) 3.263 11.448 ( -0.251 -6.161 2.800) 6.772 11.828 ( -1.481 2.431 -1.766) 3.350 11.850 ( -0.831 -0.017 -3.176) 3.283 12.089 ( 3.764 6.660 8.109) 11.148 12.308 ( 2.501 -9.959 5.033) 11.435 12.371 ( 0.581 2.495 2.810) 3.803 12.497 ( -0.675 -6.396 -0.159) 6.434 12.765 ( 3.169 -2.870 11.835) 12.584 12.807 ( 1.962 -8.061 5.718) 10.076 13.499 ( 4.174 9.598 -7.254) 12.734 13.655 ( 4.328 -5.975 -8.612) 11.340 13.851 ( -1.170 2.333 1.902) 3.229 13.892 ( -3.333 -2.201 1.860) 4.407 14.067 ( 2.046 16.846 -3.592) 17.346 14.249 ( -2.006 16.451 2.021) 16.696 14.320 ( 2.883 -8.314 -6.465) 10.920 14.484 ( 2.996 -2.576 -6.110) 7.276 14.540 ( -2.291 0.883 0.956) 2.635 14.598 ( 4.871 -10.664 10.742) 15.901 14.909 ( -1.006 -1.199 0.730) 1.727 14.929 ( -6.442 -4.637 10.335) 13.031 15.223 ( 1.700 12.256 4.318) 13.105 15.446 ( 3.188 -9.115 2.828) 10.062 15.538 ( 2.065 4.452 9.181) 10.410 15.614 ( 2.137 -3.791 3.908) 5.849 15.830 ( 3.687 1.394 -0.266) 3.951 15.857 ( 4.270 -0.576 -0.445) 4.332 15.978 ( -4.183 3.201 0.995) 5.360 16.096 ( -4.856 -8.569 1.323) 9.938 16.410 ( 4.530 3.148 3.433) 6.497 16.472 ( 3.181 -2.938 5.194) 6.762 17.033 ( -1.427 6.217 -1.987) 6.681 17.077 ( -1.027 1.568 -3.602) 4.060 17.423 ( 0.674 0.992 -0.078) 1.202 17.493 ( 1.281 -5.898 0.162) 6.037 17.731 ( 1.170 5.374 -0.732) 5.549 17.823 ( -0.677 -3.660 -0.621) 3.774 18.391 ( 0.895 1.012 -4.446) 4.647 18.405 ( 0.705 -0.215 -3.766) 3.837 18.894 ( -0.131 2.407 -2.225) 3.280 18.960 ( 0.171 -4.328 -1.426) 4.560 24.954 ( -0.006 0.686 -0.601) 0.912 24.966 ( -0.602 -0.494 -0.149) 0.793 25.116 ( 0.553 2.789 0.313) 2.860 25.172 ( 1.520 -2.972 -0.214) 3.345 26.407 ( 1.163 0.794 -0.505) 1.496 26.423 ( 1.146 -0.797 -0.548) 1.500 26.624 ( 0.950 5.183 -0.569) 5.300 26.722 ( 2.142 -5.014 -1.569) 5.674 27.106 ( 2.901 4.825 -4.185) 7.015 27.202 ( 0.437 -5.233 -3.077) 6.086 27.594 ( -1.434 5.917 1.306) 6.227 27.720 ( -0.084 -6.884 -1.075) 6.968 28.045 ( 3.311 9.298 -1.982) 10.066 28.199 ( -2.165 -4.803 -7.093) 8.836 28.418 ( 1.506 8.536 9.822) 13.100 28.621 ( -4.744 -10.958 6.422) 13.558 ======================= Grid point 98 (55/159) ======================= q-point: (-0.46 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 6.530 5.927 4.662) 9.975 3.105 ( 13.190 -6.302 4.802) 15.387 3.861 ( 0.745 10.561 7.487) 12.967 3.944 ( -6.159 2.013 4.750) 8.034 4.538 ( -10.203 2.463 -4.675) 11.490 4.598 ( -7.242 -3.829 -1.882) 8.405 4.867 ( 5.839 2.579 -0.792) 6.432 4.923 ( -0.401 -1.693 0.212) 1.752 5.131 ( -8.058 9.619 -10.518) 16.373 5.261 ( -1.523 -2.840 -9.107) 9.660 5.313 ( 1.907 2.414 -10.037) 10.498 5.364 ( -5.959 -4.775 -7.384) 10.622 5.519 ( 1.746 -3.674 -8.738) 9.639 5.676 ( 13.643 -14.930 -7.700) 21.641 5.864 ( 1.434 -0.592 -4.037) 4.325 5.885 ( -1.669 -3.388 -3.436) 5.106 6.418 ( -0.555 2.658 12.645) 12.933 6.534 ( 4.142 -7.816 12.800) 15.559 6.804 ( 6.928 1.546 5.782) 9.155 6.896 ( 6.138 -7.488 3.155) 10.183 7.270 ( 4.060 16.557 -11.835) 20.753 7.450 ( -1.818 -0.157 -14.440) 14.555 7.847 ( -7.052 4.132 -2.869) 8.662 7.922 ( -2.646 -4.002 -7.254) 8.697 8.178 ( -0.585 5.622 -17.751) 18.629 8.243 ( -0.883 -1.134 -7.811) 7.942 8.608 ( -1.485 1.619 -3.456) 4.095 8.639 ( 3.965 -2.076 -4.899) 6.635 8.893 ( 3.001 5.157 5.118) 7.861 9.055 ( 2.200 -9.781 7.347) 12.429 9.537 ( -2.278 7.169 -8.211) 11.135 9.619 ( 0.897 -0.798 -6.460) 6.571 10.232 ( 4.313 3.259 -2.410) 5.918 10.309 ( 1.831 -5.432 -5.012) 7.614 10.604 ( 3.468 2.878 -1.953) 4.911 10.687 ( 2.683 -4.693 -2.019) 5.770 11.037 ( -1.012 4.907 3.282) 5.989 11.091 ( -0.963 -1.577 -1.724) 2.527 11.340 ( -2.827 2.210 -2.201) 4.209 11.429 ( -4.529 -7.788 0.927) 9.056 11.725 ( -3.088 4.734 -3.801) 6.811 11.794 ( -1.685 -3.048 -4.514) 5.701 12.237 ( 0.951 6.853 6.766) 9.678 12.390 ( -2.982 -3.889 0.050) 4.901 12.404 ( 2.970 2.631 2.802) 4.858 12.536 ( 5.210 -9.139 4.829) 11.575 12.945 ( 1.570 0.201 11.231) 11.342 13.021 ( 2.398 -6.476 21.416) 22.502 13.452 ( 1.126 8.106 -7.225) 10.917 13.565 ( 1.117 -3.210 -12.775) 13.220 13.814 ( -2.563 0.382 -1.460) 2.975 13.842 ( -3.665 -2.912 0.553) 4.714 14.104 ( -0.083 13.330 3.781) 13.856 14.184 ( -6.768 10.600 1.648) 12.683 14.291 ( 1.150 1.005 -1.180) 1.930 14.459 ( 3.022 -8.482 -4.471) 10.053 14.582 ( 1.443 6.620 2.695) 7.292 14.778 ( 3.261 -13.367 7.497) 15.669 14.920 ( -3.597 -0.791 6.724) 7.667 14.961 ( -4.514 -4.811 9.008) 11.166 15.278 ( -1.453 11.391 2.878) 11.838 15.504 ( -0.781 -8.177 3.522) 8.938 15.635 ( -1.152 2.724 5.368) 6.129 15.695 ( -1.011 -2.582 5.508) 6.167 15.856 ( -5.056 4.823 3.317) 7.735 15.916 ( -2.032 0.215 4.634) 5.064 16.056 ( 6.207 -3.783 2.687) 7.750 16.063 ( 4.692 -5.400 5.541) 9.049 16.520 ( 0.957 4.442 7.382) 8.668 16.596 ( 0.587 -2.856 10.076) 10.489 16.948 ( -2.529 5.699 -6.105) 8.726 17.005 ( -0.558 0.050 -5.684) 5.711 17.369 ( -4.963 2.100 -4.308) 6.900 17.451 ( -4.312 -5.715 -3.899) 8.152 17.710 ( -3.131 3.908 0.160) 5.010 17.764 ( -3.162 -1.645 -0.087) 3.565 18.369 ( 2.082 1.877 -5.669) 6.324 18.415 ( 5.736 -2.657 -3.268) 7.116 18.861 ( 0.728 1.890 -4.071) 4.547 18.909 ( -1.742 -2.901 -4.161) 5.363 24.933 ( -1.287 0.398 -1.112) 1.747 24.943 ( -1.774 -0.484 -0.620) 1.940 25.127 ( 0.272 3.789 0.376) 3.818 25.199 ( 1.431 -3.775 0.773) 4.110 26.392 ( -1.805 0.511 -1.168) 2.210 26.401 ( -2.300 -0.360 -1.575) 2.811 26.634 ( 1.147 4.882 -0.178) 5.018 26.730 ( 1.424 -5.007 -1.562) 5.435 27.064 ( -0.997 3.237 -5.102) 6.124 27.130 ( -2.870 -3.418 -5.181) 6.838 27.489 ( -6.816 6.711 -4.740) 10.675 27.615 ( -5.446 -6.277 -6.469) 10.531 28.114 ( -2.098 7.581 -0.352) 7.874 28.199 ( 8.294 -0.991 3.493) 9.054 28.617 ( 5.490 -1.603 9.740) 11.295 28.648 ( 1.379 -4.337 7.637) 8.891 ======================= Grid point 99 (56/159) ======================= q-point: (-0.38 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( 7.637 11.939 2.250) 14.350 3.388 ( 9.242 -8.037 0.353) 12.253 3.775 ( -14.490 10.336 0.445) 17.804 3.925 ( -2.614 -1.409 3.261) 4.411 4.135 ( -22.800 6.040 -12.994) 26.929 4.340 ( -17.327 -12.057 -7.327) 22.345 4.802 ( -1.849 3.056 -3.856) 5.256 4.876 ( -5.455 -2.684 0.843) 6.138 4.974 ( -1.700 7.927 -0.145) 8.108 5.121 ( 0.383 -7.680 -3.987) 8.661 5.403 ( 10.986 4.191 -5.973) 13.188 5.489 ( 19.132 -1.929 -1.186) 19.265 5.626 ( 18.925 4.796 -2.711) 19.710 5.735 ( 5.746 0.412 -15.025) 16.091 5.844 ( 4.407 -3.537 -2.026) 6.003 5.903 ( 9.475 -11.006 5.422) 15.502 6.503 ( -7.674 6.423 8.512) 13.138 6.635 ( -9.669 -5.132 0.744) 10.972 6.806 ( 1.401 5.565 -10.410) 11.888 6.920 ( -0.143 -4.968 -4.064) 6.420 7.146 ( -1.038 11.921 -12.970) 17.647 7.385 ( 11.936 -4.127 -8.738) 15.357 7.550 ( -10.073 1.847 -15.041) 18.196 7.804 ( 4.727 -18.224 -13.529) 23.184 8.083 ( 5.450 15.741 -1.761) 16.751 8.306 ( 8.957 -6.181 3.786) 11.523 8.595 ( 1.068 1.443 1.874) 2.595 8.667 ( 6.034 -4.460 -2.155) 7.807 9.014 ( 5.568 6.004 1.922) 8.411 9.178 ( 2.456 -10.039 4.435) 11.246 9.413 ( 2.067 8.355 -8.459) 12.068 9.568 ( 1.106 -6.474 -4.196) 7.794 10.299 ( 8.831 1.795 -4.530) 10.086 10.344 ( 10.200 -3.127 -5.306) 11.916 10.680 ( 6.661 2.628 -1.118) 7.248 10.720 ( 5.727 -1.060 -2.550) 6.358 11.013 ( -3.859 2.431 0.481) 4.586 11.064 ( -2.733 -1.004 3.115) 4.264 11.284 ( -3.058 2.299 -0.598) 3.872 11.366 ( -3.990 -6.287 2.795) 7.954 11.679 ( 0.071 4.122 0.311) 4.134 11.730 ( -1.276 -1.761 -1.428) 2.601 12.279 ( -1.477 6.598 2.576) 7.236 12.328 ( -2.679 1.567 -1.483) 3.440 12.496 ( 5.869 4.167 -0.172) 7.200 12.671 ( 5.721 -13.556 1.518) 14.791 13.045 ( -3.669 12.015 3.469) 13.033 13.274 ( -1.824 -12.327 11.998) 17.298 13.421 ( 0.011 2.653 3.247) 4.193 13.445 ( 0.126 -0.410 -0.086) 0.437 13.760 ( -1.964 0.164 -1.537) 2.500 13.806 ( -4.337 -4.912 3.882) 7.616 14.072 ( -7.107 12.404 2.614) 14.532 14.161 ( -2.651 4.805 4.110) 6.856 14.335 ( 1.978 4.452 3.668) 6.099 14.464 ( 3.356 -8.930 -3.573) 10.187 14.610 ( -1.525 9.870 1.457) 10.093 14.842 ( -6.071 -13.519 5.568) 15.831 14.951 ( -3.024 -0.836 6.264) 7.006 14.992 ( -4.024 0.342 6.344) 7.520 15.236 ( -6.076 9.353 -0.200) 11.155 15.472 ( -5.934 -10.158 -0.561) 11.778 15.644 ( -5.966 3.618 1.059) 7.057 15.688 ( -1.503 -1.581 -0.022) 2.181 15.890 ( -6.929 -0.665 8.972) 11.356 15.905 ( -0.575 -1.563 13.953) 14.052 16.172 ( 4.704 2.085 3.634) 6.299 16.282 ( 5.647 -7.446 7.157) 11.771 16.595 ( -3.961 7.769 6.862) 11.097 16.718 ( -2.134 -3.966 10.259) 11.204 16.829 ( -0.888 6.759 -7.996) 10.508 16.942 ( 1.294 -4.272 -4.493) 6.334 17.205 ( -6.135 4.450 -4.940) 9.047 17.306 ( -4.487 -5.757 -5.868) 9.365 17.657 ( -5.247 4.811 2.055) 7.410 17.735 ( -4.850 -3.523 3.370) 6.877 18.308 ( 0.002 6.116 -6.818) 9.159 18.438 ( 2.473 -7.312 -5.419) 9.431 18.803 ( 0.469 2.589 -6.146) 6.686 18.850 ( 2.615 -2.130 -6.192) 7.051 24.889 ( -2.603 0.188 -1.235) 2.887 24.898 ( -2.909 -0.704 -0.809) 3.100 25.132 ( -0.156 5.200 0.380) 5.216 25.228 ( 0.675 -4.821 1.048) 4.980 26.316 ( -5.206 0.590 -2.432) 5.776 26.323 ( -4.487 -0.172 -2.234) 5.015 26.663 ( 1.910 3.392 1.175) 4.066 26.737 ( 1.902 -4.226 -1.119) 4.767 26.952 ( -5.684 2.273 -4.541) 7.622 27.003 ( -5.465 -2.632 -4.875) 7.782 27.319 ( -6.563 6.187 -5.431) 10.528 27.435 ( -6.240 -5.672 -7.282) 11.142 28.070 ( -4.165 11.316 0.483) 12.068 28.285 ( -1.385 -10.830 -0.304) 10.923 28.793 ( 9.721 7.327 9.256) 15.292 28.927 ( 13.162 -6.560 10.924) 18.319 ======================= Grid point 100 (57/159) ======================= q-point: (-0.31 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( -27.231 15.649 -2.892) 31.540 3.200 ( -16.142 3.868 -7.566) 18.242 3.464 ( -29.363 2.246 -10.059) 31.119 3.655 ( -20.039 -14.270 -9.185) 26.259 4.018 ( 8.661 3.922 1.029) 9.563 4.112 ( 3.632 -5.706 -1.712) 6.977 4.808 ( 5.838 7.850 -4.488) 10.763 4.935 ( 11.897 -4.074 -1.899) 12.718 4.985 ( -1.113 10.697 3.642) 11.355 5.105 ( -5.383 1.604 -4.376) 7.120 5.337 ( -6.857 13.974 -9.751) 18.367 5.595 ( 5.011 -3.309 -8.363) 10.296 5.634 ( 0.910 -8.424 -13.902) 16.281 5.719 ( 6.208 -8.784 -10.244) 14.854 6.118 ( 14.710 2.239 3.370) 15.257 6.180 ( 10.961 -3.695 6.880) 13.458 6.293 ( -11.577 3.705 -2.102) 12.336 6.471 ( -3.728 -11.506 3.117) 12.490 6.772 ( 8.274 18.269 0.378) 20.059 6.956 ( 8.269 4.574 -5.363) 10.865 7.097 ( 13.036 -2.663 -6.003) 14.597 7.273 ( 3.377 -18.729 -11.986) 22.491 7.471 ( 7.637 8.466 -8.834) 14.424 7.764 ( 9.879 -18.871 -12.116) 24.505 8.245 ( 10.881 16.312 4.654) 20.153 8.535 ( 12.840 -9.499 3.863) 16.432 8.670 ( 3.655 0.249 3.715) 5.217 8.767 ( 7.267 -5.668 0.295) 9.221 9.088 ( 6.553 4.163 -3.673) 8.589 9.196 ( -1.555 -5.036 0.470) 5.291 9.449 ( 9.835 3.827 -3.663) 11.171 9.578 ( 1.471 -7.625 3.074) 8.352 10.357 ( 5.204 0.930 -5.863) 7.895 10.415 ( 6.960 -4.779 -9.341) 12.591 10.751 ( 4.775 6.931 0.551) 8.435 10.822 ( 9.030 -1.688 0.979) 9.238 11.013 ( 0.946 4.114 4.484) 6.158 11.100 ( 0.448 -2.807 6.305) 6.916 11.252 ( -0.792 7.347 2.717) 7.873 11.401 ( 0.913 -7.110 5.558) 9.071 11.706 ( -0.003 2.209 2.584) 3.400 11.720 ( -0.962 0.454 2.153) 2.402 12.259 ( -1.808 4.765 -1.889) 5.435 12.285 ( -1.844 2.308 -0.481) 2.993 12.567 ( 5.816 5.664 -2.889) 8.617 12.740 ( 3.465 -11.552 -2.165) 12.253 12.944 ( -8.582 15.258 -0.045) 17.506 13.216 ( -4.916 -13.765 -2.650) 14.855 13.519 ( 0.578 0.399 5.255) 5.301 13.548 ( -0.881 -2.286 8.471) 8.819 13.726 ( -1.985 2.883 2.228) 4.149 13.832 ( -0.496 -6.045 7.335) 9.518 13.978 ( -10.595 11.323 3.517) 15.900 14.150 ( -4.345 -1.959 1.213) 4.918 14.407 ( 1.612 5.855 1.315) 6.213 14.459 ( 0.647 0.171 -2.856) 2.934 14.571 ( -5.134 4.421 2.465) 7.210 14.768 ( -9.935 -11.451 5.558) 16.147 14.918 ( -7.198 2.254 0.674) 7.573 14.990 ( -3.216 1.416 1.535) 3.835 15.097 ( -8.314 6.207 -2.670) 10.714 15.332 ( -8.203 -10.450 -3.056) 13.632 15.532 ( -8.026 3.728 1.279) 8.942 15.642 ( -5.419 -9.318 0.958) 10.822 15.987 ( -2.349 8.108 17.066) 19.039 16.083 ( -2.583 -1.575 14.368) 14.683 16.231 ( -0.821 3.177 0.033) 3.281 16.364 ( -5.008 -9.551 4.515) 11.691 16.556 ( -4.413 6.723 0.984) 8.102 16.671 ( -1.626 -4.162 -4.399) 6.270 16.837 ( 1.479 7.186 3.740) 8.235 16.952 ( 5.927 -4.735 -3.668) 8.427 17.128 ( -3.616 3.715 3.900) 6.487 17.214 ( -1.212 -5.843 -2.409) 6.435 17.586 ( -6.504 4.891 1.103) 8.212 17.665 ( -8.778 -3.558 1.713) 9.625 18.228 ( -0.377 6.514 -4.866) 8.140 18.347 ( -3.630 -5.552 -6.559) 9.328 18.774 ( 5.771 1.521 -6.361) 8.722 18.814 ( 4.596 -2.353 -9.516) 10.827 24.826 ( -3.639 0.101 -0.983) 3.771 24.836 ( -3.556 -0.993 -0.925) 3.806 25.128 ( -1.046 6.226 0.329) 6.321 25.240 ( -0.735 -5.475 0.779) 5.579 26.192 ( -6.473 1.056 -2.636) 7.068 26.208 ( -5.976 -0.683 -2.888) 6.673 26.711 ( 1.395 1.884 0.574) 2.413 26.745 ( 0.210 -1.332 -4.900) 5.082 26.812 ( -5.593 1.025 -0.430) 5.703 26.857 ( -7.927 -3.210 1.329) 8.655 27.166 ( -5.554 4.712 -4.165) 8.390 27.262 ( -5.680 -4.958 -5.840) 9.537 27.980 ( -7.046 9.874 -1.582) 12.233 28.176 ( -8.286 -10.228 -4.123) 13.793 29.115 ( 16.471 10.776 8.826) 21.571 29.292 ( 17.025 -7.880 10.405) 21.453 ======================= Grid point 101 (58/159) ======================= q-point: (-0.23 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -32.705 21.278 -1.613) 39.051 2.732 ( -30.239 19.788 -9.114) 37.270 2.949 ( -23.125 -20.109 -4.858) 31.028 3.140 ( -26.615 -19.608 -9.635) 34.433 4.167 ( -2.049 10.533 -5.775) 12.186 4.209 ( 8.862 4.292 2.265) 10.104 4.660 ( -22.076 24.202 -11.999) 34.887 4.786 ( -5.731 10.959 -7.811) 14.628 4.934 ( -7.726 1.432 -3.043) 8.426 4.996 ( 6.256 19.950 -13.408) 24.838 5.174 ( 4.163 -0.709 0.948) 4.329 5.382 ( -12.967 -23.803 -16.811) 31.896 5.633 ( 14.276 -13.903 -12.273) 23.404 5.763 ( 3.269 -21.851 11.212) 24.776 6.064 ( -4.487 10.564 3.131) 11.897 6.350 ( 0.453 -17.157 4.299) 17.693 6.454 ( 13.898 8.524 0.385) 16.308 6.585 ( 10.762 -4.356 5.755) 12.958 6.980 ( 19.187 12.152 -9.071) 24.456 7.097 ( 9.762 8.522 -2.562) 13.209 7.223 ( 12.365 -7.616 -5.575) 15.556 7.452 ( 7.257 -0.586 -4.829) 8.736 7.496 ( 21.753 -2.573 7.396) 23.120 7.809 ( 12.331 -19.641 -7.432) 24.353 8.510 ( 16.455 16.320 4.113) 23.538 8.771 ( 10.756 3.684 1.376) 11.452 8.816 ( 15.693 -11.339 1.103) 19.392 8.879 ( 6.148 -9.741 1.930) 11.679 9.163 ( 6.579 2.013 -1.247) 6.992 9.209 ( 0.963 -2.349 3.010) 3.938 9.584 ( 12.299 1.105 -2.837) 12.671 9.661 ( 1.852 -5.954 5.068) 8.035 10.313 ( 1.885 -1.451 -9.235) 9.537 10.329 ( -1.081 -3.153 -8.399) 9.036 10.836 ( -0.501 10.716 5.962) 12.273 10.985 ( 2.401 -4.562 7.458) 9.066 11.148 ( 7.609 3.369 6.055) 10.291 11.207 ( 3.380 -2.671 6.168) 7.524 11.344 ( 4.704 10.637 5.297) 12.780 11.493 ( -0.119 -4.162 6.386) 7.624 11.730 ( -0.199 1.339 2.376) 2.734 11.740 ( -0.458 0.420 2.743) 2.813 12.199 ( -1.223 2.534 -3.672) 4.626 12.230 ( -2.077 -1.391 -3.458) 4.267 12.585 ( -1.270 8.306 -1.531) 8.541 12.729 ( -1.495 -5.637 -1.061) 5.928 12.832 ( -7.761 12.526 2.034) 14.875 13.116 ( -7.463 -15.377 1.273) 17.140 13.524 ( 0.196 0.208 -3.878) 3.888 13.573 ( -0.293 -4.821 -0.748) 4.888 13.770 ( -4.055 8.727 1.738) 9.779 13.795 ( -4.358 11.219 -0.598) 12.050 13.940 ( -5.885 -7.502 7.618) 12.205 14.002 ( -9.998 -7.852 -3.316) 13.138 14.350 ( -6.873 7.508 -4.041) 10.952 14.418 ( -0.648 4.007 -8.200) 9.150 14.522 ( -7.175 2.539 4.341) 8.762 14.728 ( -3.725 -13.804 3.869) 14.812 14.819 ( -2.157 4.258 3.046) 5.662 14.931 ( -4.169 -2.139 2.535) 5.327 14.981 ( -4.045 6.184 -0.269) 7.394 15.178 ( -7.702 -5.858 -1.826) 9.847 15.429 ( -8.027 2.330 1.021) 8.421 15.569 ( -4.813 -12.953 0.795) 13.841 16.039 ( -16.117 7.285 5.377) 18.486 16.142 ( -9.172 -0.165 13.792) 16.565 16.180 ( -0.604 1.746 -5.397) 5.705 16.285 ( -7.224 -6.658 5.151) 11.093 16.567 ( 4.099 9.439 3.895) 11.003 16.709 ( 4.020 -4.070 2.711) 6.330 16.902 ( 1.050 6.571 2.522) 7.117 16.998 ( 4.718 -6.341 -3.766) 8.755 17.134 ( -5.325 2.142 7.645) 9.560 17.179 ( -2.523 -2.146 1.622) 3.688 17.501 ( -5.815 0.264 -3.103) 6.596 17.511 ( -6.103 -0.843 -1.476) 6.335 18.173 ( -1.241 5.042 -4.574) 6.920 18.230 ( -2.532 -0.418 -1.684) 3.069 18.759 ( 6.269 1.791 -12.627) 14.211 18.825 ( 9.470 -4.856 -4.834) 11.689 24.757 ( -4.012 0.211 -0.506) 4.049 24.770 ( -3.562 -1.271 -0.751) 3.856 25.107 ( -2.125 6.590 0.196) 6.927 25.224 ( -2.180 -5.664 0.375) 6.080 26.066 ( -6.228 1.067 -1.414) 6.475 26.083 ( -5.991 -0.713 -1.797) 6.295 26.598 ( -6.232 0.999 -4.650) 7.840 26.630 ( -5.382 -2.133 -6.765) 8.904 26.802 ( -2.396 3.931 5.492) 7.166 26.874 ( -1.771 -3.570 6.354) 7.500 27.062 ( -3.478 1.577 0.135) 3.821 27.124 ( -4.833 -4.611 -2.708) 7.208 27.802 ( -11.180 6.527 -4.904) 13.844 27.943 ( -12.286 -7.612 -7.727) 16.389 29.497 ( 20.761 13.159 6.580) 25.446 29.691 ( 19.538 -7.699 8.226) 22.554 ======================= Grid point 102 (59/159) ======================= q-point: (-0.15 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -28.320 28.491 3.669) 40.339 2.158 ( -29.279 27.883 -6.234) 40.909 2.591 ( -21.343 -27.302 0.581) 34.659 2.696 ( -17.406 -29.690 -3.556) 34.599 3.647 ( -35.003 52.573 -9.159) 63.820 4.289 ( -2.980 -4.465 -1.778) 5.655 4.437 ( -10.563 13.441 -1.372) 17.150 4.664 ( -2.181 -8.648 -3.778) 9.686 4.739 ( -1.305 0.092 3.827) 4.044 4.949 ( -14.485 -30.912 -6.394) 34.731 5.090 ( 15.412 33.210 -5.168) 36.975 5.324 ( 6.177 12.042 0.111) 13.534 5.727 ( 12.523 -18.966 -7.617) 23.970 5.918 ( 6.932 -29.290 -0.224) 30.100 6.080 ( -1.031 15.840 5.020) 16.648 6.416 ( -0.807 -16.291 9.504) 18.877 6.630 ( 4.682 10.504 2.366) 11.741 6.764 ( 0.862 -2.021 -1.528) 2.676 6.996 ( 0.097 -0.070 -9.597) 9.597 7.104 ( 13.080 -10.421 -9.920) 19.445 7.455 ( 21.648 4.766 -3.194) 22.395 7.590 ( 14.387 -8.664 -4.360) 17.351 7.955 ( 21.733 5.027 7.842) 23.645 8.067 ( 21.586 -7.592 7.284) 24.014 8.760 ( 8.095 12.167 2.757) 14.872 8.919 ( 4.747 -1.247 1.781) 5.221 9.014 ( 10.270 1.334 1.246) 10.431 9.168 ( 21.942 -11.519 -1.518) 24.828 9.237 ( 1.792 2.033 2.381) 3.608 9.307 ( 5.510 -5.616 9.014) 11.964 9.704 ( 2.609 -1.719 0.064) 3.125 9.755 ( 7.268 -7.447 -0.959) 10.450 10.211 ( 2.209 4.049 -7.330) 8.660 10.292 ( 6.832 -3.658 -5.341) 9.412 10.864 ( -3.998 11.323 4.939) 12.984 11.052 ( -2.949 -6.722 4.075) 8.395 11.309 ( 2.758 2.223 5.092) 6.203 11.340 ( 0.147 -1.214 7.589) 7.687 11.438 ( -1.543 7.922 3.711) 8.883 11.511 ( -5.614 0.984 6.286) 8.485 11.769 ( 1.089 -0.194 2.411) 2.653 11.773 ( 0.233 -0.102 2.110) 2.125 12.135 ( -1.464 0.917 -3.131) 3.576 12.168 ( 1.189 -3.287 -3.702) 5.092 12.503 ( -7.198 11.552 -0.458) 13.618 12.638 ( -5.964 -4.549 -3.619) 8.328 12.734 ( -7.899 9.668 -1.022) 12.526 12.961 ( -13.637 -12.813 -3.075) 18.963 13.436 ( -8.240 6.907 1.720) 10.889 13.567 ( 1.732 -5.208 -3.036) 6.273 13.621 ( -6.057 -0.434 -3.524) 7.021 13.688 ( -18.942 -7.552 0.517) 20.398 13.841 ( 3.499 7.514 -1.660) 8.454 13.935 ( -3.054 -0.137 -5.330) 6.145 14.156 ( -7.666 3.767 -5.741) 10.292 14.257 ( -3.559 -4.656 -1.465) 6.041 14.523 ( 5.076 8.491 -1.765) 10.049 14.731 ( 2.918 -11.255 -1.857) 11.775 14.898 ( -2.126 10.719 4.222) 11.715 14.935 ( 0.662 2.421 2.669) 3.664 15.011 ( -0.807 -7.228 8.801) 11.417 15.039 ( -7.130 -1.371 -0.790) 7.304 15.308 ( -6.673 3.957 0.942) 7.815 15.521 ( -2.717 -14.708 0.673) 14.971 15.810 ( -12.570 6.607 -4.441) 14.879 15.970 ( -12.889 -11.040 -3.575) 17.344 16.170 ( -4.391 5.015 5.536) 8.664 16.279 ( -1.615 -5.675 3.092) 6.662 16.697 ( -1.640 3.402 4.709) 6.037 16.721 ( -2.868 0.503 -3.244) 4.359 16.910 ( 5.103 7.619 -3.494) 9.813 17.017 ( -1.780 -3.945 1.308) 4.521 17.133 ( -6.463 -0.551 6.504) 9.185 17.163 ( -8.246 -2.849 4.818) 9.966 17.377 ( 0.596 8.994 -0.665) 9.038 17.515 ( 4.109 -5.534 -0.341) 6.901 18.114 ( 0.622 7.186 -0.781) 7.255 18.208 ( -0.616 -3.231 0.076) 3.290 18.735 ( 10.761 12.210 -10.815) 19.541 18.956 ( 12.513 -10.571 -1.752) 16.474 24.696 ( -3.417 0.335 0.114) 3.435 24.711 ( -3.129 -1.336 -0.305) 3.416 25.071 ( -2.524 6.527 -0.009) 6.998 25.186 ( -2.775 -5.573 0.024) 6.226 25.974 ( -5.155 1.433 0.808) 5.412 25.998 ( -5.053 -1.093 2.587) 5.781 26.468 ( -4.070 -0.117 -3.601) 5.436 26.482 ( -4.053 -1.406 -4.303) 6.076 26.760 ( -7.810 3.507 0.950) 8.613 26.847 ( -9.301 -6.217 0.608) 11.204 27.083 ( -0.432 0.751 7.831) 7.879 27.113 ( -0.269 -2.697 7.873) 8.327 27.527 ( -13.370 4.565 -7.626) 16.054 27.631 ( -12.933 -5.773 -9.896) 17.278 29.898 ( 23.810 13.119 1.123) 27.208 30.068 ( 19.013 -5.932 3.298) 20.188 ======================= Grid point 103 (60/159) ======================= q-point: (-0.08 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -20.026 34.149 6.898) 40.184 1.812 ( -14.177 37.714 8.499) 41.177 2.338 ( -14.721 -29.225 6.662) 33.394 2.536 ( -6.118 -38.598 5.431) 39.456 3.183 ( -22.345 64.010 10.731) 68.642 4.125 ( -10.776 -21.758 2.159) 24.376 4.347 ( -7.112 10.819 11.874) 17.567 4.623 ( 1.647 -7.372 -0.677) 7.584 4.797 ( -6.163 -15.423 8.136) 18.494 4.860 ( 2.254 -4.573 3.489) 6.178 5.287 ( 7.539 35.875 1.279) 36.681 5.394 ( 11.189 20.549 -5.062) 23.939 5.792 ( 6.867 -16.566 -7.414) 19.405 5.982 ( 4.589 -19.293 -8.937) 21.751 6.145 ( 5.923 -4.058 2.364) 7.559 6.410 ( -3.707 -17.658 -12.483) 21.940 6.592 ( -10.526 8.378 11.873) 17.943 6.792 ( -2.659 -5.242 16.501) 17.516 6.971 ( 6.469 8.121 -0.732) 10.408 7.279 ( 11.207 -17.218 0.508) 20.550 7.685 ( 15.433 0.257 -5.640) 16.433 7.774 ( 13.379 -6.658 -3.946) 15.456 8.320 ( 16.091 10.437 1.215) 19.218 8.467 ( 15.675 -5.513 3.426) 16.966 8.881 ( 4.350 9.696 4.352) 11.484 8.986 ( 2.307 -0.771 2.541) 3.518 9.101 ( 1.672 0.776 -3.302) 3.782 9.174 ( -5.642 -2.061 -3.516) 6.960 9.354 ( -1.952 4.029 1.887) 4.859 9.600 ( 11.318 -16.535 5.779) 20.855 9.697 ( -0.239 -1.001 -1.433) 1.764 9.788 ( -0.295 -6.578 -0.251) 6.589 10.253 ( 8.713 8.748 -2.594) 12.616 10.405 ( 13.443 -6.401 -4.232) 15.479 10.841 ( -3.658 11.535 0.421) 12.108 10.981 ( -5.106 0.173 -1.759) 5.403 11.317 ( -10.027 -1.164 4.502) 11.053 11.345 ( -6.642 -5.742 7.122) 11.306 11.450 ( 0.071 7.841 1.494) 7.982 11.540 ( 0.446 -1.559 3.182) 3.571 11.758 ( -3.651 0.303 -1.160) 3.843 11.789 ( -1.085 -2.119 0.755) 2.498 12.134 ( 5.081 4.621 -0.763) 6.910 12.188 ( 7.464 -1.439 -3.538) 8.385 12.372 ( -5.200 10.799 -1.813) 12.122 12.507 ( -6.994 -1.313 -4.204) 8.265 12.521 ( -13.414 2.883 -2.796) 14.002 12.649 ( -15.653 -7.057 -5.377) 17.992 13.328 ( -12.540 6.090 -5.634) 15.036 13.384 ( -7.211 3.090 3.656) 8.655 13.465 ( -5.922 -4.317 -4.816) 8.769 13.617 ( 0.640 -11.345 5.856) 12.783 13.892 ( 2.338 0.345 3.696) 4.387 13.943 ( 5.674 -3.498 2.625) 7.163 14.026 ( -2.894 17.629 -1.456) 17.925 14.273 ( 1.921 -5.589 -0.513) 5.933 14.612 ( 9.345 6.731 -2.849) 11.864 14.724 ( 2.412 -1.659 -8.837) 9.310 14.871 ( -0.427 0.415 0.216) 0.634 14.896 ( -6.484 -0.627 -1.567) 6.700 14.939 ( -4.623 7.408 0.198) 8.734 15.065 ( -3.218 -6.630 2.582) 7.808 15.326 ( -2.536 0.881 6.547) 7.076 15.508 ( -0.994 -8.400 3.105) 9.011 15.581 ( -3.851 1.736 -10.412) 11.236 15.713 ( -8.595 -15.083 -8.805) 19.465 16.198 ( -1.271 6.030 5.237) 8.087 16.312 ( -0.030 -5.611 3.981) 6.879 16.579 ( -3.322 4.116 -6.926) 8.714 16.629 ( -0.191 -0.927 -9.053) 9.102 16.932 ( -3.349 2.709 3.066) 5.287 16.989 ( -5.711 -2.997 2.166) 6.804 17.077 ( -3.303 1.604 1.338) 3.908 17.103 ( -3.902 -1.264 1.391) 4.330 17.419 ( 2.361 9.261 -1.423) 9.663 17.569 ( 2.965 -6.497 -1.605) 7.320 18.161 ( 0.487 4.416 2.813) 5.259 18.248 ( 0.326 -4.812 8.182) 9.498 18.876 ( 16.744 16.997 -1.504) 23.907 19.137 ( 10.419 -11.097 0.013) 15.222 24.659 ( -2.005 0.167 0.803) 2.167 24.671 ( -1.978 -1.146 0.484) 2.337 25.035 ( -1.562 6.291 -0.494) 6.501 25.146 ( -1.926 -5.338 -0.401) 5.689 25.926 ( -3.857 2.683 2.595) 5.367 25.996 ( -4.529 -5.151 8.209) 10.698 26.396 ( 0.419 1.012 -1.344) 1.734 26.422 ( -0.671 -1.556 -0.202) 1.706 26.633 ( -8.492 -0.723 0.600) 8.544 26.638 ( -14.452 -1.917 -0.856) 14.603 27.144 ( -5.395 2.824 2.461) 6.568 27.193 ( -5.938 -2.135 0.544) 6.333 27.320 ( -1.480 4.580 5.077) 6.996 27.420 ( -1.581 -5.529 2.755) 6.376 30.190 ( 18.131 9.181 -9.826) 22.573 30.306 ( 12.438 -4.038 -6.948) 14.808 ======================= Grid point 130 (61/159) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 1.401 0.000 45.715) 45.737 1.881 ( -5.493 0.000 46.299) 46.624 2.842 ( 7.541 0.000 65.252) 65.686 3.257 ( -1.042 0.000 15.791) 15.825 3.822 ( 0.786 0.000 7.791) 7.831 4.310 ( 5.954 0.000 16.017) 17.088 4.575 ( -6.388 0.000 6.378) 9.026 4.655 ( 6.213 0.000 13.990) 15.308 4.867 ( -1.316 0.000 -13.742) 13.805 4.907 ( -6.262 0.000 9.830) 11.655 5.279 ( 0.526 0.000 25.893) 25.898 5.478 ( 8.935 0.000 -9.211) 12.833 5.841 ( 0.922 0.000 -29.828) 29.842 6.133 ( -3.024 0.000 12.856) 13.207 6.165 ( 4.360 0.000 8.769) 9.793 6.803 ( 0.060 0.000 5.509) 5.510 6.964 ( -5.955 0.000 14.816) 15.968 7.127 ( 7.112 0.000 6.972) 9.959 7.594 ( -6.384 0.000 8.693) 10.786 7.595 ( -5.122 0.000 -17.077) 17.829 7.680 ( 10.649 0.000 4.942) 11.740 7.844 ( -2.372 0.000 -5.928) 6.385 8.247 ( -14.841 0.000 -11.568) 18.817 8.413 ( 2.133 0.000 -2.534) 3.313 8.772 ( -11.373 0.000 -0.113) 11.373 8.813 ( 8.598 0.000 -1.655) 8.756 8.926 ( 3.749 0.000 -4.350) 5.743 8.972 ( 2.439 0.000 -3.444) 4.221 9.362 ( -3.509 0.000 -1.631) 3.869 9.575 ( -14.724 0.000 -10.194) 17.908 9.708 ( -9.338 0.000 6.400) 11.321 10.186 ( -5.909 0.000 -2.577) 6.446 10.357 ( 9.745 0.000 4.530) 10.746 10.470 ( 13.701 0.000 -4.199) 14.330 10.529 ( 19.929 0.000 1.588) 19.992 10.994 ( 12.106 0.000 3.926) 12.727 11.113 ( -2.721 0.000 -0.913) 2.870 11.279 ( -22.524 0.000 0.663) 22.534 11.380 ( -15.838 0.000 -5.457) 16.752 11.622 ( -0.477 0.000 4.693) 4.717 11.686 ( -2.283 0.000 -1.460) 2.710 11.713 ( -12.925 0.000 -3.861) 13.489 11.893 ( -1.476 0.000 5.691) 5.879 12.126 ( 9.854 0.000 -9.642) 13.787 12.180 ( 3.348 0.000 1.856) 3.828 12.383 ( 10.926 0.000 -1.935) 11.096 12.496 ( -0.284 0.000 1.736) 1.759 12.630 ( 0.430 0.000 -9.533) 9.543 13.118 ( -2.945 0.000 -7.910) 8.441 13.222 ( -0.096 0.000 -4.469) 4.471 13.555 ( 0.973 0.000 5.993) 6.071 13.568 ( 8.985 0.000 3.988) 9.830 13.954 ( -0.420 0.000 4.210) 4.231 14.005 ( -1.445 0.000 -3.310) 3.612 14.073 ( 2.743 0.000 1.254) 3.016 14.215 ( 10.601 0.000 -16.878) 19.931 14.449 ( 2.440 0.000 -4.191) 4.850 14.501 ( -3.614 0.000 12.955) 13.449 14.822 ( 3.857 0.000 1.157) 4.027 14.828 ( -5.375 0.000 -0.913) 5.452 15.003 ( 5.196 0.000 -11.110) 12.265 15.108 ( -2.111 0.000 -6.798) 7.118 15.324 ( -8.966 0.000 2.800) 9.393 15.360 ( 0.061 0.000 6.088) 6.088 15.691 ( 1.694 0.000 7.423) 7.613 15.750 ( 0.067 0.000 -6.710) 6.710 16.076 ( -10.221 0.000 -5.032) 11.393 16.381 ( 6.223 0.000 -2.271) 6.624 16.381 ( 0.920 0.000 3.370) 3.493 16.434 ( 0.526 0.000 -11.875) 11.887 16.577 ( -1.403 0.000 -1.556) 2.095 16.868 ( -7.319 0.000 -6.152) 9.562 17.153 ( 6.602 0.000 8.721) 10.939 17.177 ( 4.597 0.000 3.138) 5.566 17.534 ( 2.514 0.000 -1.374) 2.864 17.549 ( -5.488 0.000 4.591) 7.155 18.109 ( 1.552 0.000 13.187) 13.278 18.438 ( -5.601 0.000 6.160) 8.326 19.262 ( -1.078 0.000 -5.313) 5.421 19.286 ( 8.286 0.000 -4.440) 9.401 24.678 ( 0.776 0.000 0.862) 1.160 24.802 ( 0.149 0.000 -1.902) 1.908 24.838 ( 0.067 0.000 5.064) 5.065 25.208 ( -0.128 0.000 -1.707) 1.712 25.885 ( -0.111 0.000 1.122) 1.127 26.177 ( 4.324 0.000 -7.130) 8.338 26.303 ( -7.971 0.000 0.991) 8.032 26.480 ( -4.405 0.000 1.891) 4.794 26.652 ( -0.305 0.000 -3.168) 3.183 26.729 ( -2.617 0.000 -8.070) 8.484 27.094 ( 0.859 0.000 3.108) 3.224 27.381 ( -3.098 0.000 0.472) 3.133 27.911 ( -4.211 0.000 10.659) 11.460 28.178 ( 5.866 0.000 22.719) 23.464 28.880 ( 13.168 0.000 -7.190) 15.003 29.938 ( -3.463 0.000 -17.394) 17.736 ======================= Grid point 131 (62/159) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -9.213 0.000 43.412) 44.378 2.412 ( 13.659 0.000 43.904) 45.980 3.530 ( 9.847 0.000 16.846) 19.513 3.897 ( 28.028 0.000 49.624) 56.992 3.952 ( 3.638 0.000 7.947) 8.740 4.365 ( -3.826 0.000 -6.596) 7.625 4.645 ( -2.548 0.000 4.069) 4.801 4.691 ( 3.797 0.000 -3.372) 5.078 4.702 ( -11.571 0.000 -18.184) 21.553 4.968 ( 9.992 0.000 16.939) 19.667 5.395 ( -9.884 0.000 13.911) 17.064 5.582 ( 1.187 0.000 -14.914) 14.961 5.683 ( 5.606 0.000 6.236) 8.385 6.163 ( 5.149 0.000 2.757) 5.841 6.483 ( 3.169 0.000 18.340) 18.612 6.764 ( -10.973 0.000 2.847) 11.336 6.950 ( -13.576 0.000 5.952) 14.823 7.144 ( -11.295 0.000 -8.806) 14.322 7.223 ( -10.090 0.000 -5.802) 11.639 7.570 ( -23.031 0.000 -6.502) 23.931 7.579 ( -9.451 0.000 8.867) 12.960 7.913 ( 10.476 0.000 4.449) 11.381 8.047 ( -2.409 0.000 3.233) 4.032 8.395 ( -0.958 0.000 -6.045) 6.120 8.537 ( -15.440 0.000 -1.175) 15.485 8.930 ( 6.790 0.000 -5.741) 8.892 8.980 ( 6.417 0.000 1.140) 6.517 9.006 ( 3.474 0.000 -0.510) 3.511 9.214 ( -13.164 0.000 -6.618) 14.734 9.387 ( 4.166 0.000 -0.428) 4.187 9.604 ( -13.342 0.000 6.239) 14.729 10.083 ( -2.026 0.000 -2.796) 3.453 10.470 ( -6.243 0.000 -4.481) 7.685 10.595 ( 16.088 0.000 -2.333) 16.257 10.763 ( -17.672 0.000 -8.953) 19.811 10.795 ( 5.682 0.000 6.384) 8.546 11.094 ( -0.924 0.000 0.300) 0.972 11.175 ( -4.432 0.000 -1.175) 4.585 11.275 ( -3.060 0.000 11.521) 11.920 11.418 ( -12.480 0.000 -0.170) 12.481 11.670 ( -3.562 0.000 1.348) 3.809 11.670 ( -0.981 0.000 1.656) 1.924 12.011 ( 6.859 0.000 5.449) 8.760 12.021 ( -2.907 0.000 -11.848) 12.199 12.243 ( 5.816 0.000 -1.579) 6.027 12.489 ( 15.739 0.000 -8.142) 17.721 12.591 ( 7.001 0.000 -0.101) 7.002 12.660 ( 11.334 0.000 -7.250) 13.454 13.036 ( 6.365 0.000 -7.660) 9.959 13.266 ( 9.515 0.000 -4.338) 10.457 13.628 ( 1.419 0.000 2.600) 2.962 13.774 ( 4.282 0.000 -2.179) 4.804 13.836 ( 4.752 0.000 -1.759) 5.067 13.991 ( -0.662 0.000 -8.888) 8.912 14.176 ( 5.202 0.000 8.564) 10.021 14.281 ( 6.744 0.000 -1.939) 7.017 14.288 ( -6.252 0.000 -10.461) 12.187 14.602 ( -1.443 0.000 -5.832) 6.008 14.636 ( -5.528 0.000 11.010) 12.320 14.932 ( 10.192 0.000 -1.397) 10.287 15.061 ( 9.172 0.000 -8.908) 12.786 15.165 ( 8.832 0.000 2.199) 9.101 15.312 ( -4.361 0.000 12.123) 12.883 15.421 ( -4.215 0.000 8.083) 9.115 15.573 ( -7.166 0.000 -12.002) 13.979 15.823 ( 4.331 0.000 5.921) 7.336 15.884 ( -8.433 0.000 0.384) 8.442 16.293 ( 2.154 0.000 -14.361) 14.522 16.418 ( 0.548 0.000 -1.643) 1.732 16.457 ( 6.286 0.000 -2.295) 6.692 16.581 ( 2.334 0.000 3.921) 4.563 16.692 ( -4.380 0.000 -7.982) 9.105 17.303 ( 5.290 0.000 4.445) 6.910 17.333 ( 4.346 0.000 1.339) 4.547 17.525 ( -2.817 0.000 2.640) 3.861 17.589 ( 5.227 0.000 1.718) 5.502 18.306 ( 2.997 0.000 14.132) 14.446 18.373 ( -9.928 0.000 3.519) 10.533 19.141 ( -5.767 0.000 -5.015) 7.643 19.269 ( -0.719 0.000 -3.906) 3.972 24.724 ( 3.215 0.000 1.325) 3.477 24.797 ( 2.048 0.000 -1.907) 2.798 24.914 ( 0.744 0.000 6.287) 6.331 25.195 ( 1.932 0.000 -2.904) 3.488 25.926 ( 3.647 0.000 1.218) 3.845 26.191 ( 8.334 0.000 -6.920) 10.833 26.262 ( -2.847 0.000 5.458) 6.156 26.478 ( 1.939 0.000 1.706) 2.583 26.556 ( 0.244 0.000 -5.384) 5.390 26.730 ( 5.652 0.000 -3.140) 6.466 27.167 ( 2.988 0.000 4.117) 5.087 27.336 ( -2.019 0.000 -0.904) 2.212 27.957 ( -7.135 0.000 11.283) 13.349 28.525 ( 3.092 0.000 22.292) 22.505 28.902 ( 4.537 0.000 -11.459) 12.325 29.624 ( -7.534 0.000 -19.917) 21.294 ======================= Grid point 132 (63/159) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -1.435 0.000 36.586) 36.614 3.160 ( 16.370 0.000 38.490) 41.827 3.881 ( 10.428 0.000 6.113) 12.088 4.067 ( 1.442 0.000 -9.446) 9.555 4.226 ( -4.599 0.000 -0.993) 4.705 4.338 ( 2.031 0.000 -3.872) 4.372 4.350 ( -0.177 0.000 -14.239) 14.241 4.705 ( 20.542 0.000 -6.578) 21.569 4.924 ( 4.446 0.000 8.684) 9.756 5.284 ( -20.354 0.000 2.505) 20.508 5.449 ( 15.463 0.000 31.032) 34.671 5.520 ( 4.498 0.000 0.584) 4.536 5.709 ( -5.277 0.000 3.546) 6.358 6.275 ( 7.313 0.000 -9.389) 11.901 6.510 ( -7.121 0.000 -9.496) 11.869 6.582 ( -17.535 0.000 7.320) 19.001 6.767 ( -12.428 0.000 -0.015) 12.428 6.816 ( -14.194 0.000 4.822) 14.991 7.101 ( -15.170 0.000 -2.841) 15.433 7.303 ( -6.609 0.000 14.261) 15.718 7.503 ( -12.001 0.000 5.469) 13.189 7.904 ( -17.149 0.000 -6.670) 18.401 8.055 ( -6.298 0.000 5.682) 8.482 8.240 ( 1.071 0.000 -2.238) 2.481 8.372 ( -9.546 0.000 -0.641) 9.567 8.758 ( -13.028 0.000 -7.630) 15.098 8.997 ( -1.908 0.000 -3.711) 4.172 9.018 ( 4.345 0.000 -3.138) 5.359 9.274 ( 8.085 0.000 8.581) 11.790 9.388 ( -3.538 0.000 -1.214) 3.740 9.472 ( -14.836 0.000 8.518) 17.108 10.061 ( -1.102 0.000 -4.723) 4.850 10.264 ( -6.890 0.000 -4.641) 8.307 10.659 ( 3.449 0.000 11.328) 11.842 10.679 ( 0.107 0.000 -5.942) 5.943 10.893 ( -1.762 0.000 5.837) 6.097 11.042 ( 2.389 0.000 -2.300) 3.317 11.061 ( -6.514 0.000 0.411) 6.527 11.346 ( -2.744 0.000 5.492) 6.139 11.378 ( -3.115 0.000 2.611) 4.065 11.623 ( 0.868 0.000 1.293) 1.557 11.661 ( -5.673 0.000 1.712) 5.926 11.842 ( 0.672 0.000 -11.801) 11.820 12.195 ( 8.422 0.000 2.214) 8.708 12.324 ( 6.615 0.000 -0.444) 6.630 12.657 ( 8.725 0.000 -0.693) 8.752 12.708 ( 18.114 0.000 -10.323) 20.849 12.718 ( 4.667 0.000 -4.053) 6.181 13.136 ( 13.972 0.000 -3.395) 14.378 13.292 ( 6.899 0.000 -9.399) 11.659 13.680 ( 3.551 0.000 0.122) 3.553 13.729 ( -0.815 0.000 -0.081) 0.819 13.897 ( 0.642 0.000 -8.704) 8.728 13.996 ( 5.223 0.000 1.791) 5.521 14.146 ( 4.256 0.000 -0.276) 4.265 14.223 ( -7.421 0.000 -4.650) 8.757 14.346 ( 2.687 0.000 4.382) 5.140 14.464 ( -3.629 0.000 -2.394) 4.348 14.898 ( 14.809 0.000 8.089) 16.874 15.056 ( 2.754 0.000 -3.759) 4.660 15.092 ( 14.342 0.000 -4.375) 14.995 15.202 ( -13.485 0.000 -3.697) 13.982 15.313 ( 0.240 0.000 6.051) 6.056 15.451 ( 0.187 0.000 4.964) 4.968 15.532 ( 4.884 0.000 4.510) 6.647 15.815 ( -2.916 0.000 2.220) 3.664 15.943 ( 4.324 0.000 1.783) 4.677 16.143 ( 3.602 0.000 -17.957) 18.314 16.376 ( -0.402 0.000 -4.193) 4.212 16.491 ( -1.201 0.000 -2.161) 2.472 16.579 ( 4.812 0.000 -6.164) 7.820 16.713 ( 3.814 0.000 7.850) 8.728 17.341 ( 2.239 0.000 -4.695) 5.201 17.412 ( 1.481 0.000 2.220) 2.669 17.557 ( 4.388 0.000 2.970) 5.298 17.685 ( 1.105 0.000 3.797) 3.954 18.248 ( -8.821 0.000 1.426) 8.935 18.547 ( 6.739 0.000 12.586) 14.277 18.976 ( -7.828 0.000 -4.946) 9.260 19.208 ( -2.336 0.000 -2.229) 3.229 24.799 ( 4.360 0.000 0.991) 4.471 24.816 ( 3.195 0.000 -1.832) 3.683 25.004 ( 0.131 0.000 7.039) 7.040 25.190 ( 2.776 0.000 -4.143) 4.987 26.025 ( 6.700 0.000 1.590) 6.886 26.258 ( 10.277 0.000 -6.332) 12.071 26.303 ( -0.854 0.000 4.779) 4.855 26.553 ( 5.870 0.000 -3.828) 7.008 26.606 ( 9.683 0.000 4.786) 10.801 26.785 ( 5.674 0.000 -2.668) 6.270 27.288 ( 5.640 0.000 4.969) 7.516 27.308 ( 0.264 0.000 -1.102) 1.133 27.967 ( -8.737 0.000 11.026) 14.068 28.761 ( -3.212 0.000 -12.975) 13.367 28.798 ( -1.003 0.000 19.994) 20.019 29.240 ( -9.377 0.000 -21.058) 23.052 ======================= Grid point 133 (64/159) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 4.104 0.000 27.897) 28.197 3.592 ( -1.661 0.000 -15.034) 15.125 3.789 ( 3.607 0.000 7.074) 7.940 4.137 ( 9.940 0.000 0.104) 9.941 4.140 ( 13.856 0.000 -30.549) 33.545 4.177 ( -17.907 0.000 14.034) 22.751 4.673 ( 14.880 0.000 14.125) 20.516 4.828 ( -0.994 0.000 -10.824) 10.870 4.911 ( 19.161 0.000 -12.001) 22.609 4.927 ( -18.218 0.000 3.692) 18.588 5.617 ( 2.919 0.000 0.726) 3.008 5.660 ( -3.094 0.000 0.670) 3.166 5.956 ( 1.924 0.000 12.065) 12.217 6.108 ( -8.980 0.000 -10.143) 13.546 6.347 ( 2.954 0.000 -7.238) 7.817 6.409 ( -17.894 0.000 5.842) 18.823 6.645 ( -3.566 0.000 5.275) 6.367 6.683 ( -12.688 0.000 1.190) 12.744 6.900 ( -3.891 0.000 -4.330) 5.822 7.309 ( -13.338 0.000 -4.338) 14.026 7.368 ( -8.620 0.000 8.437) 12.062 7.607 ( -15.414 0.000 11.833) 19.432 7.970 ( -11.167 0.000 1.357) 11.249 8.169 ( -15.633 0.000 0.273) 15.636 8.307 ( 8.449 0.000 -1.756) 8.629 8.517 ( -9.677 0.000 -0.761) 9.707 8.898 ( -3.470 0.000 -4.169) 5.425 9.025 ( -2.097 0.000 0.105) 2.100 9.290 ( -5.382 0.000 -1.361) 5.552 9.353 ( -10.658 0.000 6.595) 12.533 9.433 ( -4.387 0.000 7.963) 9.091 9.806 ( -17.087 0.000 -5.985) 18.105 10.259 ( 8.689 0.000 -4.805) 9.929 10.608 ( -1.342 0.000 -0.302) 1.375 10.820 ( -7.697 0.000 6.612) 10.147 10.894 ( -6.901 0.000 5.325) 8.717 11.096 ( 7.788 0.000 -6.693) 10.269 11.172 ( 14.671 0.000 6.758) 16.153 11.319 ( -4.443 0.000 -2.015) 4.879 11.342 ( 1.247 0.000 2.254) 2.576 11.534 ( -7.943 0.000 5.873) 9.879 11.735 ( 4.912 0.000 4.088) 6.391 11.797 ( 2.283 0.000 -2.035) 3.058 12.252 ( 3.737 0.000 -9.030) 9.772 12.443 ( 8.407 0.000 0.703) 8.437 12.680 ( 9.129 0.000 -13.777) 16.527 12.718 ( -0.017 0.000 -0.915) 0.915 12.926 ( 10.121 0.000 9.273) 13.727 13.324 ( 11.291 0.000 -0.700) 11.312 13.391 ( 11.343 0.000 0.481) 11.353 13.727 ( 4.968 0.000 -4.532) 6.724 13.732 ( -3.053 0.000 3.638) 4.749 13.811 ( 3.701 0.000 -5.052) 6.263 13.978 ( -7.479 0.000 -7.510) 10.599 14.099 ( -1.973 0.000 -0.059) 1.973 14.283 ( 4.442 0.000 6.287) 7.698 14.382 ( 4.555 0.000 -3.873) 5.979 14.416 ( 1.200 0.000 0.348) 1.249 14.971 ( -0.929 0.000 -6.491) 6.557 15.108 ( -0.769 0.000 9.000) 9.032 15.211 ( 6.387 0.000 -9.251) 11.241 15.279 ( 16.171 0.000 6.140) 17.298 15.314 ( -3.714 0.000 5.779) 6.869 15.537 ( 3.051 0.000 1.383) 3.350 15.601 ( 1.555 0.000 -1.671) 2.283 15.866 ( 0.091 0.000 9.467) 9.467 15.913 ( -0.320 0.000 -12.849) 12.853 16.066 ( 6.731 0.000 -3.506) 7.590 16.317 ( -0.591 0.000 -3.652) 3.699 16.450 ( 1.531 0.000 -1.562) 2.187 16.654 ( 9.610 0.000 -3.134) 10.108 16.855 ( 2.340 0.000 6.673) 7.072 17.345 ( 4.652 0.000 -2.467) 5.266 17.403 ( -2.845 0.000 0.384) 2.871 17.712 ( 8.332 0.000 3.503) 9.038 17.719 ( -0.956 0.000 2.911) 3.064 18.163 ( -2.617 0.000 -0.504) 2.665 18.758 ( -2.943 0.000 -5.856) 6.554 18.806 ( 1.489 0.000 7.169) 7.322 19.134 ( -3.805 0.000 -2.502) 4.554 24.846 ( 3.492 0.000 -1.872) 3.962 24.874 ( 4.037 0.000 0.294) 4.048 25.081 ( -1.226 0.000 6.808) 6.917 25.178 ( 2.734 0.000 -4.746) 5.477 26.162 ( 7.809 0.000 1.968) 8.054 26.343 ( 9.506 0.000 -5.441) 10.953 26.347 ( 0.536 0.000 3.130) 3.176 26.617 ( 7.043 0.000 -3.086) 7.690 26.831 ( 4.816 0.000 -3.260) 5.816 26.867 ( 12.838 0.000 8.149) 15.206 27.323 ( 3.451 0.000 -1.244) 3.669 27.467 ( 9.319 0.000 5.797) 10.975 27.967 ( -8.217 0.000 11.038) 13.761 28.497 ( -9.297 0.000 -14.353) 17.101 28.853 ( -7.890 0.000 -19.827) 21.339 28.974 ( -5.075 0.000 16.883) 17.629 ======================= Grid point 134 (65/159) ======================= q-point: ( 0.31 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 1.158 0.000 -13.619) 13.668 3.416 ( -4.363 0.000 18.265) 18.779 3.595 ( -15.913 0.000 -13.121) 20.624 3.956 ( -18.496 0.000 6.665) 19.660 4.059 ( 15.999 0.000 -24.562) 29.313 4.300 ( 8.857 0.000 -1.545) 8.991 4.771 ( -3.821 0.000 6.841) 7.836 4.844 ( 15.103 0.000 -2.710) 15.344 5.033 ( 13.541 0.000 -16.324) 21.210 5.224 ( 13.913 0.000 22.232) 26.227 5.505 ( -9.243 0.000 -7.865) 12.136 5.685 ( 0.351 0.000 2.209) 2.237 5.838 ( -10.216 0.000 -4.729) 11.257 5.916 ( 5.250 0.000 -8.992) 10.413 6.219 ( -6.411 0.000 -4.762) 7.986 6.274 ( -7.073 0.000 -11.381) 13.400 6.518 ( -5.511 0.000 5.341) 7.675 6.763 ( 2.271 0.000 8.924) 9.208 6.844 ( 3.994 0.000 -7.341) 8.357 7.081 ( -12.230 0.000 -0.118) 12.230 7.213 ( -16.065 0.000 0.384) 16.070 7.570 ( -10.473 0.000 5.626) 11.889 7.731 ( -14.262 0.000 -5.995) 15.471 7.950 ( -16.179 0.000 7.626) 17.886 8.425 ( 9.353 0.000 -5.670) 10.938 8.445 ( -3.612 0.000 3.233) 4.847 8.795 ( -2.702 0.000 -5.419) 6.056 8.916 ( -12.610 0.000 -0.109) 12.611 9.248 ( -4.229 0.000 7.563) 8.665 9.307 ( -6.995 0.000 4.817) 8.493 9.391 ( -4.004 0.000 3.441) 5.279 9.497 ( -13.982 0.000 -2.548) 14.212 10.361 ( 9.394 0.000 -1.832) 9.571 10.515 ( -14.688 0.000 2.172) 14.847 10.755 ( -6.763 0.000 5.464) 8.694 10.838 ( -3.487 0.000 -2.708) 4.415 11.019 ( -9.322 0.000 -16.458) 18.914 11.142 ( 10.217 0.000 -5.717) 11.708 11.372 ( -0.354 0.000 2.595) 2.619 11.512 ( 11.626 0.000 5.096) 12.694 11.673 ( 2.263 0.000 7.314) 7.656 11.806 ( 0.519 0.000 0.111) 0.530 11.910 ( 7.267 0.000 11.621) 13.706 12.158 ( 0.779 0.000 -8.261) 8.298 12.549 ( 3.353 0.000 -2.419) 4.134 12.717 ( 9.610 0.000 -2.725) 9.989 12.746 ( 2.764 0.000 5.155) 5.849 13.180 ( 6.252 0.000 8.876) 10.856 13.417 ( 2.074 0.000 -0.520) 2.138 13.541 ( 3.572 0.000 1.484) 3.868 13.629 ( -4.777 0.000 -13.872) 14.672 13.738 ( -4.260 0.000 -7.627) 8.736 13.760 ( -1.351 0.000 6.627) 6.763 13.865 ( 6.510 0.000 -0.848) 6.565 14.228 ( 13.036 0.000 7.743) 15.162 14.294 ( 2.300 0.000 -5.809) 6.248 14.466 ( -0.157 0.000 3.874) 3.877 14.563 ( 11.593 0.000 6.125) 13.111 14.931 ( 1.044 0.000 -0.733) 1.276 15.037 ( -8.198 0.000 -9.629) 12.646 15.255 ( 4.507 0.000 9.178) 10.225 15.360 ( -4.528 0.000 8.150) 9.323 15.516 ( 5.213 0.000 -0.422) 5.230 15.566 ( 9.452 0.000 -10.134) 13.857 15.623 ( 5.278 0.000 3.705) 6.448 15.802 ( 1.037 0.000 -5.600) 5.695 15.984 ( -3.236 0.000 10.561) 11.046 16.179 ( 6.869 0.000 3.971) 7.934 16.307 ( 3.878 0.000 0.075) 3.878 16.493 ( 2.386 0.000 2.845) 3.714 16.752 ( 9.631 0.000 -7.451) 12.177 16.918 ( -1.871 0.000 2.057) 2.781 17.384 ( -0.405 0.000 2.299) 2.334 17.422 ( 5.280 0.000 1.740) 5.559 17.751 ( 1.722 0.000 1.538) 2.309 17.846 ( 3.169 0.000 2.072) 3.786 18.158 ( 5.277 0.000 -3.616) 6.397 18.523 ( -7.972 0.000 -10.602) 13.265 18.976 ( 5.322 0.000 4.097) 6.717 19.027 ( -5.071 0.000 -3.753) 6.309 24.874 ( 3.233 0.000 -2.129) 3.871 24.927 ( 2.859 0.000 -0.350) 2.880 25.127 ( -2.655 0.000 5.790) 6.369 25.167 ( 2.919 0.000 -3.895) 4.868 26.297 ( 6.141 0.000 1.875) 6.421 26.396 ( 1.481 0.000 2.192) 2.646 26.408 ( 6.402 0.000 -4.364) 7.748 26.678 ( 6.211 0.000 -3.986) 7.380 26.855 ( 4.278 0.000 -4.195) 5.992 27.165 ( 11.529 0.000 8.681) 14.432 27.374 ( 5.274 0.000 -2.088) 5.672 27.711 ( 12.109 0.000 5.949) 13.491 27.985 ( -7.322 0.000 11.558) 13.682 28.155 ( -10.837 0.000 -13.991) 17.697 28.531 ( -5.135 0.000 -16.516) 17.296 29.053 ( -8.254 0.000 13.307) 15.659 ======================= Grid point 135 (66/159) ======================= q-point: ( 0.38 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -14.276 0.000 -3.306) 14.654 3.331 ( -25.212 0.000 12.722) 28.240 3.480 ( 10.247 0.000 -4.607) 11.235 3.889 ( 1.344 0.000 1.245) 1.832 4.096 ( 18.909 0.000 -15.714) 24.587 4.349 ( 4.216 0.000 -5.653) 7.052 4.792 ( -0.425 0.000 1.563) 1.620 4.854 ( -4.641 0.000 -11.254) 12.173 5.145 ( 20.075 0.000 0.233) 20.077 5.330 ( 0.302 0.000 -14.965) 14.968 5.472 ( -10.951 0.000 4.455) 11.822 5.692 ( 5.540 0.000 -5.116) 7.540 5.705 ( 3.057 0.000 -6.128) 6.848 5.896 ( -7.025 0.000 -11.598) 13.560 6.076 ( -2.508 0.000 -7.846) 8.237 6.146 ( 16.578 0.000 -2.715) 16.799 6.542 ( -2.669 0.000 2.574) 3.708 6.759 ( -6.454 0.000 -4.029) 7.608 6.770 ( -7.641 0.000 -1.274) 7.747 6.990 ( -2.272 0.000 2.808) 3.612 7.058 ( -6.404 0.000 8.662) 10.772 7.380 ( -12.699 0.000 -3.964) 13.304 7.479 ( -3.535 0.000 -8.107) 8.844 7.872 ( -12.400 0.000 13.452) 18.296 8.407 ( 5.572 0.000 -14.445) 15.483 8.433 ( -1.361 0.000 -0.282) 1.390 8.665 ( -14.971 0.000 -3.503) 15.375 8.697 ( -2.472 0.000 -2.715) 3.672 9.212 ( -4.424 0.000 -2.218) 4.949 9.217 ( -7.670 0.000 1.016) 7.737 9.389 ( -7.024 0.000 7.792) 10.490 9.465 ( 1.335 0.000 7.909) 8.021 10.284 ( -15.940 0.000 2.151) 16.085 10.487 ( 5.375 0.000 0.779) 5.431 10.679 ( -7.463 0.000 -13.425) 15.360 10.703 ( -4.599 0.000 -6.694) 8.121 10.787 ( -1.157 0.000 8.891) 8.966 11.213 ( 7.537 0.000 -8.006) 10.995 11.359 ( -2.250 0.000 -0.875) 2.414 11.736 ( 11.785 0.000 -0.689) 11.805 11.749 ( -3.449 0.000 -5.707) 6.668 11.759 ( 1.837 0.000 4.965) 5.294 12.128 ( 1.016 0.000 9.703) 9.756 12.133 ( 2.542 0.000 0.510) 2.592 12.504 ( -0.869 0.000 -5.391) 5.461 12.841 ( 1.208 0.000 -0.072) 1.210 12.922 ( 8.870 0.000 12.123) 15.022 13.170 ( -3.369 0.000 -14.345) 14.735 13.424 ( 0.819 0.000 -0.594) 1.012 13.479 ( -2.509 0.000 -0.591) 2.577 13.554 ( -0.543 0.000 -1.297) 1.406 13.668 ( 4.332 0.000 -2.886) 5.205 13.835 ( 0.940 0.000 7.374) 7.434 13.980 ( 2.774 0.000 7.835) 8.312 14.289 ( 7.946 0.000 -9.393) 12.303 14.474 ( -5.522 0.000 6.481) 8.514 14.608 ( -3.548 0.000 -10.595) 11.173 14.611 ( 18.611 0.000 9.699) 20.986 14.960 ( -0.615 0.000 3.700) 3.751 15.040 ( 6.448 0.000 16.287) 17.517 15.384 ( -4.910 0.000 9.840) 10.997 15.449 ( 4.031 0.000 11.374) 12.067 15.519 ( 1.529 0.000 -2.634) 3.045 15.618 ( 11.953 0.000 -9.588) 15.323 15.773 ( 0.229 0.000 -0.645) 0.684 15.801 ( 3.950 0.000 9.950) 10.705 15.996 ( -7.992 0.000 7.960) 11.280 16.342 ( 4.863 0.000 5.857) 7.613 16.432 ( 7.360 0.000 3.193) 8.023 16.593 ( 2.988 0.000 7.475) 8.050 16.743 ( 4.964 0.000 -12.131) 13.107 16.841 ( -6.663 0.000 -3.192) 7.388 17.452 ( 3.768 0.000 2.774) 4.679 17.531 ( 3.128 0.000 4.705) 5.650 17.769 ( 0.154 0.000 -4.522) 4.525 17.849 ( -3.987 0.000 1.065) 4.127 18.221 ( 9.870 0.000 -7.073) 12.143 18.319 ( -1.080 0.000 -7.952) 8.025 18.896 ( -4.693 0.000 -4.812) 6.721 19.049 ( 1.698 0.000 -1.348) 2.168 24.893 ( 2.630 0.000 -2.192) 3.424 24.953 ( 1.352 0.000 -0.717) 1.531 25.139 ( -3.802 0.000 4.460) 5.861 25.183 ( 3.759 0.000 -1.820) 4.177 26.383 ( 2.420 0.000 1.252) 2.725 26.437 ( 0.862 0.000 1.125) 1.417 26.438 ( 3.938 0.000 -3.254) 5.109 26.711 ( 6.135 0.000 -6.278) 8.778 26.871 ( 4.294 0.000 -3.763) 5.709 27.375 ( 3.620 0.000 1.254) 3.831 27.417 ( 3.923 0.000 -3.276) 5.111 27.823 ( 0.565 0.000 -5.794) 5.821 27.995 ( 2.321 0.000 -0.874) 2.480 28.008 ( -7.957 0.000 11.174) 13.717 28.349 ( 4.543 0.000 -5.820) 7.383 29.046 ( -10.389 0.000 9.522) 14.093 ======================= Grid point 136 (67/159) ======================= q-point: ( 0.46 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 7.421 0.000 5.281) 9.108 3.116 ( -19.976 0.000 12.590) 23.612 3.617 ( 2.159 0.000 7.687) 7.984 3.946 ( 2.280 0.000 1.373) 2.662 4.209 ( 14.623 0.000 -10.131) 17.789 4.332 ( 5.672 0.000 -8.948) 10.595 4.747 ( 9.284 0.000 -14.569) 17.276 4.755 ( -4.086 0.000 -3.284) 5.242 5.145 ( 0.622 0.000 -7.134) 7.161 5.256 ( -12.407 0.000 -4.304) 13.132 5.419 ( -10.446 0.000 -20.520) 23.026 5.419 ( 13.365 0.000 -1.189) 13.417 5.662 ( -0.985 0.000 -10.922) 10.967 5.762 ( -2.173 0.000 -5.859) 6.249 5.977 ( 4.139 0.000 -9.045) 9.947 6.240 ( -6.404 0.000 -7.147) 9.596 6.517 ( -0.720 0.000 -5.310) 5.358 6.665 ( 4.490 0.000 2.863) 5.325 6.673 ( -3.198 0.000 3.722) 4.907 6.940 ( -2.640 0.000 -6.319) 6.848 7.133 ( -8.497 0.000 -10.029) 13.145 7.169 ( 1.086 0.000 8.585) 8.654 7.498 ( 10.170 0.000 1.185) 10.239 7.845 ( -10.159 0.000 9.885) 14.174 8.305 ( -7.234 0.000 -7.618) 10.506 8.313 ( 0.296 0.000 -6.351) 6.358 8.526 ( -1.895 0.000 4.797) 5.157 8.683 ( 1.972 0.000 1.362) 2.397 9.132 ( -3.531 0.000 0.011) 3.531 9.132 ( -0.418 0.000 -5.485) 5.501 9.323 ( -7.653 0.000 0.230) 7.657 9.579 ( 1.708 0.000 6.480) 6.701 10.126 ( -6.908 0.000 2.091) 7.218 10.363 ( -6.425 0.000 -7.932) 10.208 10.594 ( -1.815 0.000 -1.482) 2.344 10.635 ( 3.173 0.000 0.068) 3.174 10.928 ( 4.273 0.000 9.001) 9.964 11.181 ( 2.483 0.000 -9.242) 9.570 11.295 ( -2.704 0.000 -2.344) 3.578 11.594 ( -5.277 0.000 -6.201) 8.142 11.818 ( 5.166 0.000 -7.200) 8.862 11.822 ( -4.373 0.000 5.700) 7.184 12.171 ( -4.813 0.000 3.226) 5.794 12.234 ( 8.927 0.000 -0.016) 8.927 12.399 ( -2.083 0.000 -10.091) 10.304 12.825 ( 3.910 0.000 -2.398) 4.586 12.899 ( -3.540 0.000 -13.909) 14.353 13.263 ( -2.939 0.000 0.383) 2.964 13.320 ( 7.059 0.000 4.886) 8.584 13.445 ( 3.651 0.000 -1.064) 3.802 13.639 ( 1.427 0.000 5.141) 5.336 13.734 ( 4.139 0.000 2.747) 4.968 13.962 ( 2.418 0.000 7.885) 8.248 14.111 ( -4.576 0.000 12.133) 12.968 14.271 ( 2.632 0.000 -3.305) 4.225 14.437 ( -6.759 0.000 3.679) 7.696 14.501 ( 4.226 0.000 -5.807) 7.182 14.971 ( -2.343 0.000 7.315) 7.681 14.986 ( 8.679 0.000 8.199) 11.940 15.310 ( -0.406 0.000 13.219) 13.225 15.504 ( 4.774 0.000 10.280) 11.334 15.513 ( 1.307 0.000 -1.687) 2.134 15.626 ( -0.851 0.000 10.045) 10.081 15.633 ( 0.152 0.000 -2.756) 2.760 15.873 ( 10.283 0.000 5.021) 11.444 15.965 ( -3.043 0.000 13.391) 13.732 16.002 ( -2.623 0.000 12.513) 12.785 16.434 ( 0.407 0.000 2.558) 2.590 16.555 ( 2.727 0.000 2.203) 3.505 16.637 ( 4.858 0.000 -15.520) 16.263 16.673 ( -4.783 0.000 -6.697) 8.230 16.776 ( 2.784 0.000 13.725) 14.004 17.476 ( -2.470 0.000 -4.464) 5.102 17.610 ( -1.469 0.000 -0.196) 1.482 17.617 ( -4.287 0.000 -6.730) 7.980 17.825 ( -2.263 0.000 6.493) 6.876 18.246 ( 6.200 0.000 -10.698) 12.365 18.327 ( 7.641 0.000 -1.702) 7.828 18.786 ( -0.960 0.000 -5.432) 5.516 18.991 ( -2.951 0.000 -6.614) 7.243 24.905 ( 1.896 0.000 -1.618) 2.492 24.953 ( -0.161 0.000 -0.702) 0.720 25.119 ( -4.727 0.000 3.202) 5.710 25.237 ( 4.336 0.000 0.031) 4.336 26.405 ( -0.880 0.000 0.562) 1.044 26.433 ( -2.060 0.000 -0.734) 2.187 26.468 ( 4.486 0.000 -1.880) 4.864 26.717 ( 5.955 0.000 -8.183) 10.120 26.897 ( 3.766 0.000 -2.400) 4.466 27.257 ( -7.493 0.000 -8.651) 11.445 27.405 ( 0.065 0.000 -3.827) 3.828 27.791 ( -3.198 0.000 -9.704) 10.218 28.002 ( -8.818 0.000 9.294) 12.812 28.024 ( 10.143 0.000 4.438) 11.071 28.561 ( 15.063 0.000 7.482) 16.819 28.966 ( -11.925 0.000 5.836) 13.277 ======================= Grid point 137 (68/159) ======================= q-point: (-0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -8.961 0.000 11.509) 14.587 3.371 ( 14.016 0.000 6.970) 15.653 3.653 ( -4.752 0.000 2.364) 5.308 3.877 ( -19.170 0.000 4.128) 19.610 4.280 ( 14.002 0.000 -12.826) 18.989 4.318 ( 4.378 0.000 -5.738) 7.218 4.597 ( -6.538 0.000 -7.100) 9.652 4.733 ( 16.864 0.000 -20.391) 26.461 4.911 ( -18.341 0.000 -10.770) 21.269 5.237 ( 7.272 0.000 1.228) 7.375 5.314 ( 19.463 0.000 4.305) 19.934 5.399 ( -10.857 0.000 -13.542) 17.357 5.568 ( 8.880 0.000 0.784) 8.914 5.615 ( -9.391 0.000 -12.618) 15.729 5.933 ( -7.910 0.000 -6.689) 10.359 5.967 ( 5.677 0.000 -5.313) 7.775 6.460 ( 1.021 0.000 -5.379) 5.475 6.649 ( -7.779 0.000 -12.170) 14.443 6.790 ( -4.679 0.000 -7.639) 8.958 6.808 ( 8.164 0.000 -3.084) 8.727 6.949 ( 2.559 0.000 2.645) 3.680 7.119 ( -6.775 0.000 -10.502) 12.498 7.677 ( 3.154 0.000 5.398) 6.252 7.798 ( -4.099 0.000 1.581) 4.393 8.279 ( 9.184 0.000 4.750) 10.339 8.287 ( -4.874 0.000 7.097) 8.610 8.637 ( 5.421 0.000 8.196) 9.826 8.773 ( 6.033 0.000 2.074) 6.380 9.057 ( -0.281 0.000 -5.702) 5.709 9.101 ( 0.639 0.000 -2.689) 2.764 9.210 ( -0.879 0.000 -5.287) 5.359 9.671 ( 2.148 0.000 3.797) 4.363 10.137 ( 4.277 0.000 3.264) 5.380 10.264 ( 2.038 0.000 -1.634) 2.612 10.617 ( 2.245 0.000 3.264) 3.962 10.638 ( -1.157 0.000 -2.128) 2.422 11.064 ( -2.673 0.000 6.867) 7.369 11.079 ( -1.404 0.000 -7.803) 7.928 11.274 ( 4.240 0.000 -0.386) 4.257 11.489 ( -0.856 0.000 -2.541) 2.681 11.739 ( -10.059 0.000 1.422) 10.159 11.765 ( 0.464 0.000 -6.674) 6.691 12.096 ( -4.132 0.000 -1.908) 4.552 12.215 ( -3.097 0.000 -10.134) 10.597 12.362 ( 11.704 0.000 -6.902) 13.587 12.705 ( -4.196 0.000 -7.968) 9.005 12.947 ( 10.375 0.000 0.899) 10.413 13.037 ( -1.219 0.000 -17.402) 17.445 13.515 ( 5.614 0.000 0.448) 5.631 13.564 ( 4.184 0.000 0.472) 4.210 13.775 ( 2.918 0.000 13.794) 14.099 13.840 ( 0.040 0.000 11.041) 11.041 14.000 ( -1.603 0.000 -3.576) 3.919 14.214 ( -1.214 0.000 18.419) 18.459 14.337 ( -6.390 0.000 13.711) 15.127 14.362 ( -7.047 0.000 2.102) 7.354 14.538 ( 8.323 0.000 -5.591) 10.026 14.924 ( -10.320 0.000 5.658) 11.769 15.160 ( -1.450 0.000 5.771) 5.950 15.379 ( -6.329 0.000 8.165) 10.331 15.503 ( 0.465 0.000 -2.875) 2.912 15.548 ( -0.936 0.000 -2.131) 2.328 15.633 ( -7.651 0.000 5.128) 9.211 15.720 ( 1.268 0.000 8.412) 8.507 16.043 ( -5.182 0.000 11.357) 12.483 16.127 ( 7.763 0.000 7.239) 10.615 16.225 ( 0.216 0.000 22.483) 22.484 16.419 ( -0.268 0.000 -5.057) 5.065 16.480 ( -3.689 0.000 -6.325) 7.322 16.573 ( 9.149 0.000 -8.748) 12.658 16.661 ( 4.187 0.000 -0.278) 4.196 16.985 ( -0.129 0.000 15.443) 15.444 17.288 ( -8.552 0.000 -8.588) 12.119 17.415 ( -2.220 0.000 -9.799) 10.047 17.608 ( -6.209 0.000 3.183) 6.977 17.920 ( -1.306 0.000 10.644) 10.724 18.148 ( 0.177 0.000 -12.368) 12.369 18.452 ( 9.465 0.000 -0.750) 9.495 18.736 ( 3.753 0.000 -7.446) 8.339 18.803 ( -7.242 0.000 -10.900) 13.086 24.913 ( 1.137 0.000 -0.815) 1.399 24.933 ( -1.541 0.000 -0.330) 1.575 25.072 ( -5.561 0.000 2.245) 5.998 25.306 ( 3.606 0.000 0.636) 3.661 26.356 ( -4.950 0.000 -2.084) 5.371 26.372 ( -3.636 0.000 -0.563) 3.679 26.539 ( 6.340 0.000 -0.323) 6.348 26.702 ( 5.383 0.000 -8.539) 10.094 26.925 ( 2.561 0.000 -1.086) 2.782 27.041 ( -7.604 0.000 -6.762) 10.176 27.328 ( -4.579 0.000 -2.736) 5.335 27.575 ( -6.780 0.000 -9.804) 11.920 27.964 ( -8.328 0.000 6.478) 10.551 28.308 ( 15.669 0.000 5.414) 16.578 28.820 ( -13.462 0.000 2.350) 13.665 28.904 ( 15.874 0.000 8.817) 18.158 ======================= Grid point 138 (69/159) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -10.231 0.000 7.285) 12.560 3.226 ( -25.303 0.000 -6.978) 26.247 3.528 ( -23.692 0.000 2.055) 23.781 3.749 ( 8.653 0.000 -5.011) 9.999 4.241 ( -13.199 0.000 1.574) 13.292 4.329 ( 9.602 0.000 -12.004) 15.372 4.518 ( 2.170 0.000 -10.146) 10.375 4.661 ( 4.461 0.000 0.490) 4.488 4.700 ( 1.250 0.000 -12.962) 13.022 5.035 ( -13.120 0.000 -17.715) 22.044 5.193 ( -16.416 0.000 -5.337) 17.262 5.541 ( 12.230 0.000 -11.131) 16.537 5.605 ( 26.239 0.000 7.819) 27.379 5.857 ( 15.275 0.000 10.366) 18.460 5.898 ( 5.272 0.000 -3.981) 6.606 6.039 ( 1.862 0.000 -0.110) 1.865 6.336 ( 0.893 0.000 -2.437) 2.596 6.410 ( -0.257 0.000 -4.122) 4.130 6.652 ( -2.162 0.000 -3.852) 4.417 6.765 ( 0.771 0.000 -16.770) 16.787 6.842 ( -9.197 0.000 -5.432) 10.681 7.199 ( 17.115 0.000 6.216) 18.209 7.735 ( 0.797 0.000 1.237) 1.472 7.770 ( 1.305 0.000 -3.527) 3.760 8.293 ( -6.394 0.000 7.284) 9.693 8.578 ( 16.012 0.000 6.640) 17.334 8.873 ( 9.513 0.000 10.312) 14.030 8.897 ( 6.906 0.000 1.441) 7.055 8.999 ( -0.345 0.000 -2.562) 2.585 9.046 ( 0.283 0.000 -6.423) 6.429 9.222 ( 9.318 0.000 -5.036) 10.592 9.734 ( 2.537 0.000 0.586) 2.604 10.333 ( 11.090 0.000 8.637) 14.056 10.384 ( 9.721 0.000 4.878) 10.876 10.564 ( -3.660 0.000 -2.693) 4.544 10.649 ( -0.914 0.000 -4.501) 4.593 11.031 ( 2.533 0.000 2.315) 3.431 11.047 ( -6.663 0.000 6.783) 9.508 11.299 ( 0.106 0.000 -5.541) 5.542 11.483 ( 2.718 0.000 -2.457) 3.664 11.670 ( -2.584 0.000 5.660) 6.222 11.713 ( -0.780 0.000 0.016) 0.780 12.027 ( 1.040 0.000 -7.011) 7.088 12.133 ( 2.529 0.000 1.120) 2.766 12.383 ( 5.517 0.000 -12.761) 13.902 12.599 ( -2.252 0.000 -0.847) 2.406 12.838 ( 3.342 0.000 -17.378) 17.696 13.108 ( 11.398 0.000 -2.626) 11.696 13.541 ( -0.117 0.000 -6.453) 6.454 13.607 ( 4.330 0.000 1.037) 4.453 13.854 ( 1.561 0.000 -1.318) 2.042 13.912 ( -3.393 0.000 -3.722) 5.036 14.030 ( -7.438 0.000 15.747) 17.415 14.315 ( -1.077 0.000 5.140) 5.252 14.349 ( -8.644 0.000 7.968) 11.757 14.448 ( -2.911 0.000 20.766) 20.970 14.607 ( 4.270 0.000 0.583) 4.309 14.769 ( -16.611 0.000 1.924) 16.722 15.129 ( -9.764 0.000 7.768) 12.478 15.325 ( -6.326 0.000 1.204) 6.440 15.428 ( -6.791 0.000 -0.208) 6.794 15.540 ( -5.488 0.000 8.547) 10.157 15.620 ( -0.839 0.000 4.312) 4.393 15.746 ( -5.151 0.000 -0.735) 5.203 16.044 ( -9.499 0.000 5.476) 10.964 16.199 ( 5.364 0.000 -7.852) 9.510 16.331 ( -0.922 0.000 -10.524) 10.565 16.335 ( -3.625 0.000 -3.483) 5.027 16.477 ( -2.904 0.000 17.534) 17.773 16.735 ( 11.933 0.000 3.872) 12.545 16.771 ( 5.628 0.000 7.623) 9.476 16.960 ( -8.953 0.000 -7.249) 11.520 17.228 ( -1.519 0.000 12.203) 12.297 17.335 ( 0.839 0.000 -2.027) 2.194 17.502 ( -8.548 0.000 -1.187) 8.630 17.891 ( -7.159 0.000 -8.112) 10.819 18.101 ( 0.004 0.000 8.576) 8.576 18.501 ( -9.645 0.000 -11.450) 14.971 18.608 ( 9.044 0.000 -2.503) 9.384 18.691 ( 4.256 0.000 -11.372) 12.142 24.899 ( -2.807 0.000 0.202) 2.814 24.920 ( 0.466 0.000 -0.223) 0.517 25.004 ( -6.207 0.000 1.682) 6.431 25.354 ( 1.747 0.000 0.226) 1.761 26.241 ( -6.172 0.000 -2.058) 6.506 26.287 ( -5.821 0.000 -1.238) 5.951 26.637 ( 6.956 0.000 -2.420) 7.365 26.683 ( 3.897 0.000 -5.646) 6.861 26.861 ( -7.436 0.000 -4.017) 8.452 26.949 ( 1.103 0.000 0.592) 1.252 27.220 ( -7.071 0.000 1.187) 7.170 27.373 ( -6.393 0.000 -6.430) 9.067 27.908 ( -6.536 0.000 3.522) 7.425 28.600 ( 15.521 0.000 2.289) 15.689 28.605 ( -15.468 0.000 -1.106) 15.507 29.257 ( 16.872 0.000 7.782) 18.581 ======================= Grid point 139 (70/159) ======================= q-point: (-0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -36.210 0.000 -6.618) 36.810 2.729 ( -38.239 0.000 6.361) 38.764 3.429 ( 7.514 0.000 -0.316) 7.521 3.658 ( -8.468 0.000 -6.404) 10.617 4.062 ( -11.982 0.000 0.006) 11.982 4.106 ( -25.904 0.000 -18.553) 31.863 4.363 ( -12.382 0.000 3.535) 12.877 4.485 ( -23.323 0.000 -11.749) 26.115 4.556 ( -5.208 0.000 0.229) 5.213 4.747 ( 10.916 0.000 -7.926) 13.490 5.193 ( 11.485 0.000 0.716) 11.507 5.575 ( 7.707 0.000 -7.505) 10.758 5.922 ( 10.969 0.000 -9.456) 14.482 5.953 ( 4.799 0.000 -9.100) 10.288 6.133 ( 13.573 0.000 3.743) 14.080 6.253 ( 16.694 0.000 13.233) 21.302 6.346 ( 5.123 0.000 8.683) 10.082 6.590 ( -2.838 0.000 -15.034) 15.300 6.633 ( 11.067 0.000 9.169) 14.371 6.688 ( 12.104 0.000 1.380) 12.182 6.817 ( 14.150 0.000 5.792) 15.290 7.588 ( 21.923 0.000 2.787) 22.099 7.711 ( 1.980 0.000 -8.771) 8.992 7.762 ( 2.471 0.000 -0.256) 2.484 8.303 ( 0.680 0.000 5.747) 5.787 8.852 ( 12.211 0.000 -1.235) 12.273 8.946 ( -0.519 0.000 -3.659) 3.696 8.997 ( 2.793 0.000 2.616) 3.827 9.067 ( 12.203 0.000 -2.169) 12.394 9.148 ( 8.949 0.000 9.523) 13.068 9.335 ( 11.858 0.000 -3.554) 12.379 9.770 ( 3.673 0.000 -2.003) 4.184 10.432 ( -10.525 0.000 3.496) 11.091 10.480 ( -5.907 0.000 -11.709) 13.115 10.643 ( 10.335 0.000 12.507) 16.225 10.660 ( 14.601 0.000 1.850) 14.718 11.072 ( -4.251 0.000 8.564) 9.561 11.171 ( 5.106 0.000 6.541) 8.298 11.265 ( 4.465 0.000 2.391) 5.065 11.486 ( 0.739 0.000 -2.259) 2.377 11.724 ( 2.013 0.000 3.379) 3.933 11.753 ( 0.587 0.000 5.727) 5.757 11.966 ( 3.480 0.000 -7.842) 8.580 12.271 ( -1.932 0.000 -7.591) 7.833 12.296 ( 8.640 0.000 7.024) 11.135 12.519 ( -6.681 0.000 -4.844) 8.252 12.759 ( 10.280 0.000 -12.543) 16.217 13.235 ( 11.452 0.000 -5.556) 12.729 13.439 ( -1.257 0.000 -6.912) 7.025 13.641 ( -1.503 0.000 -1.194) 1.919 13.822 ( -3.452 0.000 -2.498) 4.261 13.828 ( 0.355 0.000 -4.125) 4.141 13.960 ( -7.398 0.000 0.282) 7.403 14.247 ( -11.468 0.000 0.179) 11.470 14.434 ( 2.174 0.000 6.543) 6.895 14.476 ( -19.298 0.000 -1.718) 19.374 14.528 ( -11.884 0.000 8.662) 14.706 14.677 ( -1.869 0.000 7.486) 7.716 15.099 ( -9.632 0.000 10.763) 14.444 15.261 ( -4.903 0.000 2.496) 5.502 15.366 ( -5.970 0.000 9.295) 11.047 15.534 ( -6.325 0.000 -8.550) 10.635 15.599 ( -7.142 0.000 7.778) 10.559 15.683 ( 1.819 0.000 4.075) 4.463 15.848 ( -14.534 0.000 -5.943) 15.702 16.164 ( 0.673 0.000 -4.754) 4.801 16.204 ( -0.367 0.000 -8.819) 8.826 16.263 ( -1.843 0.000 1.369) 2.296 16.568 ( -0.871 0.000 3.280) 3.393 16.723 ( -4.762 0.000 -7.884) 9.211 16.956 ( -6.458 0.000 17.502) 18.655 16.995 ( 8.284 0.000 8.132) 11.609 17.316 ( -4.078 0.000 7.265) 8.331 17.343 ( -1.695 0.000 -2.889) 3.350 17.385 ( 1.753 0.000 1.067) 2.052 17.639 ( -8.185 0.000 -11.858) 14.408 18.161 ( -12.885 0.000 -12.993) 18.299 18.237 ( -2.312 0.000 15.446) 15.618 18.567 ( 1.016 0.000 -16.689) 16.719 18.763 ( 11.608 0.000 -0.099) 11.608 24.851 ( -3.970 0.000 0.535) 4.006 24.921 ( -0.184 0.000 -0.079) 0.200 24.926 ( -6.294 0.000 1.518) 6.475 25.364 ( -0.336 0.000 -0.257) 0.423 26.126 ( -6.405 0.000 -0.677) 6.441 26.180 ( -6.472 0.000 0.388) 6.483 26.624 ( 1.653 0.000 -8.670) 8.826 26.706 ( 2.148 0.000 -1.982) 2.923 26.714 ( -7.213 0.000 -1.522) 7.372 26.988 ( 0.704 0.000 4.316) 4.373 27.185 ( -3.483 0.000 7.749) 8.496 27.225 ( -5.313 0.000 -3.171) 6.188 27.852 ( -4.245 0.000 1.112) 4.388 28.313 ( -17.896 0.000 -4.463) 18.444 28.825 ( 13.207 0.000 -2.437) 13.430 29.608 ( 18.141 0.000 5.098) 18.844 ======================= Grid point 140 (71/159) ======================= q-point: (-0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -40.883 0.000 1.669) 40.917 2.162 ( -43.774 0.000 5.641) 44.136 3.213 ( -59.878 0.000 -2.331) 59.923 3.434 ( -16.383 0.000 3.552) 16.764 3.628 ( 17.977 0.000 -1.603) 18.048 3.849 ( -12.417 0.000 -0.772) 12.441 4.133 ( -14.046 0.000 -1.232) 14.100 4.326 ( -3.210 0.000 10.321) 10.808 4.567 ( -2.037 0.000 5.989) 6.326 4.830 ( 4.475 0.000 -3.574) 5.728 5.345 ( 9.133 0.000 1.918) 9.332 5.506 ( -7.267 0.000 -4.351) 8.470 5.954 ( -3.828 0.000 -2.304) 4.468 6.046 ( 17.079 0.000 -4.644) 17.699 6.124 ( 10.514 0.000 -5.079) 11.677 6.368 ( 2.960 0.000 -16.066) 16.336 6.635 ( 12.128 0.000 8.277) 14.684 6.819 ( 7.916 0.000 1.400) 8.039 6.917 ( 28.730 0.000 14.710) 32.277 6.931 ( 10.677 0.000 3.189) 11.143 7.296 ( 28.884 0.000 12.861) 31.617 7.497 ( -6.663 0.000 -7.998) 10.409 7.810 ( 3.703 0.000 0.173) 3.707 7.958 ( 19.866 0.000 -6.221) 20.818 8.539 ( 14.525 0.000 11.458) 18.500 8.917 ( 4.854 0.000 -4.148) 6.386 8.920 ( 4.042 0.000 -3.777) 5.532 9.122 ( 5.364 0.000 0.418) 5.380 9.306 ( 21.009 0.000 0.592) 21.017 9.376 ( 8.651 0.000 6.504) 10.823 9.514 ( 16.248 0.000 -1.986) 16.369 9.813 ( 3.859 0.000 -0.624) 3.909 10.226 ( -5.617 0.000 -13.171) 14.319 10.311 ( -9.196 0.000 3.125) 9.713 10.818 ( -3.415 0.000 6.060) 6.956 10.901 ( 4.812 0.000 7.750) 9.122 11.116 ( 8.349 0.000 -0.317) 8.355 11.270 ( -0.907 0.000 -0.110) 0.914 11.419 ( -5.566 0.000 -0.074) 5.567 11.505 ( 6.525 0.000 13.289) 14.804 11.829 ( -1.821 0.000 6.507) 6.757 11.845 ( 4.592 0.000 6.750) 8.164 11.972 ( 14.492 0.000 -10.208) 17.726 12.194 ( -2.658 0.000 1.939) 3.290 12.321 ( -5.443 0.000 -8.412) 10.019 12.478 ( 3.420 0.000 5.576) 6.541 12.762 ( 0.470 0.000 -5.405) 5.425 13.286 ( 1.765 0.000 -8.498) 8.680 13.380 ( 1.847 0.000 -2.428) 3.050 13.563 ( -0.947 0.000 -2.143) 2.343 13.711 ( -1.213 0.000 -5.051) 5.194 13.810 ( 2.225 0.000 -9.359) 9.620 13.904 ( -1.879 0.000 0.151) 1.885 13.990 ( -12.198 0.000 -8.308) 14.758 14.158 ( -19.041 0.000 1.087) 19.072 14.299 ( -22.657 0.000 0.615) 22.665 14.511 ( 2.829 0.000 -0.755) 2.928 14.742 ( -3.108 0.000 9.818) 10.299 15.066 ( -5.512 0.000 3.475) 6.516 15.157 ( -12.175 0.000 -1.819) 12.310 15.302 ( -2.732 0.000 -10.672) 11.016 15.456 ( -6.380 0.000 5.191) 8.225 15.522 ( -9.746 0.000 -0.113) 9.747 15.544 ( -3.466 0.000 -7.320) 8.099 15.773 ( 1.569 0.000 5.008) 5.248 16.095 ( -0.934 0.000 -6.802) 6.866 16.193 ( -2.538 0.000 6.001) 6.516 16.340 ( 4.620 0.000 9.545) 10.604 16.539 ( -1.256 0.000 -5.426) 5.570 16.618 ( 1.533 0.000 -1.239) 1.971 16.897 ( -14.853 0.000 4.258) 15.451 17.149 ( -7.201 0.000 -0.546) 7.221 17.285 ( 1.537 0.000 2.405) 2.854 17.334 ( -3.992 0.000 6.665) 7.769 17.420 ( -4.747 0.000 -1.613) 5.013 17.508 ( 7.811 0.000 3.435) 8.533 17.820 ( -11.989 0.000 -9.642) 15.385 18.306 ( -5.122 0.000 -19.415) 20.080 18.393 ( -3.807 0.000 17.027) 17.448 18.959 ( 13.082 0.000 0.588) 13.095 24.790 ( -4.369 0.000 0.208) 4.374 24.853 ( -5.760 0.000 1.984) 6.092 24.909 ( -0.985 0.000 -0.463) 1.089 25.340 ( -2.082 0.000 -0.444) 2.129 26.029 ( -6.312 0.000 0.831) 6.367 26.135 ( -4.002 0.000 7.604) 8.592 26.502 ( -3.739 0.000 -7.761) 8.615 26.602 ( -6.305 0.000 0.161) 6.307 26.691 ( 1.400 0.000 -4.205) 4.432 27.093 ( 2.131 0.000 9.520) 9.755 27.129 ( -4.079 0.000 -0.909) 4.179 27.277 ( -0.629 0.000 10.540) 10.559 27.803 ( -3.139 0.000 -0.555) 3.187 27.959 ( -18.230 0.000 -5.902) 19.162 28.931 ( 8.817 0.000 -9.063) 12.644 29.925 ( 17.926 0.000 0.347) 17.929 ======================= Grid point 141 (72/159) ======================= q-point: (-0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -38.745 0.000 18.204) 42.809 1.515 ( -44.769 0.000 6.680) 45.265 2.480 ( -56.929 0.000 36.393) 67.568 3.261 ( -16.566 0.000 10.178) 19.443 3.724 ( -6.137 0.000 4.280) 7.482 3.879 ( 5.986 0.000 6.342) 8.721 4.048 ( 5.278 0.000 4.002) 6.624 4.480 ( 1.884 0.000 15.896) 16.008 4.589 ( -4.764 0.000 5.446) 7.236 4.823 ( -5.211 0.000 8.169) 9.689 5.306 ( -9.128 0.000 -6.233) 11.053 5.493 ( 9.040 0.000 -4.580) 10.134 5.885 ( -10.267 0.000 11.820) 15.656 6.183 ( 5.953 0.000 -7.958) 9.938 6.281 ( 14.664 0.000 -1.642) 14.756 6.443 ( 23.929 0.000 -6.159) 24.709 6.685 ( -0.563 0.000 -12.840) 12.852 6.872 ( -2.742 0.000 2.754) 3.887 7.172 ( 11.301 0.000 8.039) 13.869 7.420 ( 6.363 0.000 -1.604) 6.562 7.449 ( 24.970 0.000 2.588) 25.104 7.868 ( 4.729 0.000 0.664) 4.775 7.915 ( 27.478 0.000 10.435) 29.392 8.171 ( 15.905 0.000 -1.809) 16.008 8.826 ( 1.085 0.000 11.316) 11.368 8.952 ( 4.683 0.000 -2.648) 5.380 8.965 ( 9.556 0.000 -7.484) 12.137 9.099 ( -1.131 0.000 -9.543) 9.610 9.595 ( 9.667 0.000 6.248) 11.511 9.694 ( 19.135 0.000 0.265) 19.137 9.796 ( -10.977 0.000 4.061) 11.704 9.809 ( 27.691 0.000 -1.598) 27.737 10.099 ( 12.786 0.000 -12.847) 18.125 10.250 ( -0.369 0.000 -0.379) 0.529 10.749 ( -10.695 0.000 5.193) 11.889 10.801 ( -19.136 0.000 -9.741) 21.472 11.178 ( -2.696 0.000 2.785) 3.876 11.308 ( 11.570 0.000 2.256) 11.788 11.459 ( 5.357 0.000 1.539) 5.573 11.679 ( 2.503 0.000 5.776) 6.295 11.827 ( -6.755 0.000 4.868) 8.326 11.919 ( 5.287 0.000 -2.833) 5.999 12.127 ( 10.605 0.000 -15.339) 18.648 12.161 ( -0.843 0.000 -4.177) 4.261 12.244 ( -7.091 0.000 9.058) 11.503 12.564 ( -5.916 0.000 10.639) 12.173 12.619 ( -8.970 0.000 -3.216) 9.529 12.931 ( -22.636 0.000 -20.424) 30.489 13.414 ( 1.427 0.000 1.935) 2.404 13.480 ( -7.996 0.000 -7.877) 11.225 13.643 ( -5.674 0.000 -7.731) 9.590 13.674 ( 2.858 0.000 -2.044) 3.514 13.793 ( -11.912 0.000 -3.046) 12.295 13.868 ( -0.598 0.000 5.181) 5.215 14.038 ( 0.250 0.000 4.462) 4.469 14.039 ( -2.052 0.000 -1.564) 2.580 14.512 ( 1.750 0.000 -5.029) 5.324 14.769 ( -10.362 0.000 2.877) 10.754 14.883 ( -10.312 0.000 -6.979) 12.451 14.985 ( -6.716 0.000 -3.603) 7.621 15.172 ( 0.425 0.000 -6.107) 6.122 15.214 ( -2.750 0.000 -8.427) 8.865 15.451 ( -1.628 0.000 1.122) 1.977 15.641 ( -0.670 0.000 8.827) 8.852 15.781 ( -5.273 0.000 -1.722) 5.547 16.092 ( 4.786 0.000 4.808) 6.784 16.120 ( -5.522 0.000 -15.523) 16.476 16.334 ( -1.508 0.000 -7.368) 7.521 16.409 ( -2.869 0.000 -8.926) 9.375 16.717 ( -8.731 0.000 -1.845) 8.924 16.826 ( -10.310 0.000 -13.344) 16.863 16.882 ( 9.284 0.000 13.115) 16.068 17.242 ( -8.965 0.000 0.057) 8.965 17.281 ( -13.167 0.000 3.614) 13.654 17.541 ( -1.161 0.000 -5.047) 5.179 17.609 ( 7.321 0.000 7.675) 10.607 17.745 ( 3.047 0.000 9.519) 9.994 18.072 ( 1.745 0.000 4.410) 4.743 18.567 ( -1.349 0.000 20.890) 20.933 19.159 ( 11.926 0.000 -0.764) 11.951 24.727 ( -3.328 0.000 -0.579) 3.378 24.803 ( -4.551 0.000 3.248) 5.591 24.878 ( -1.679 0.000 -1.135) 2.027 25.293 ( -2.966 0.000 -0.550) 3.016 25.951 ( -5.517 0.000 1.490) 5.715 26.282 ( 4.130 0.000 15.912) 16.439 26.350 ( -3.587 0.000 -7.178) 8.025 26.521 ( -4.919 0.000 0.834) 4.989 26.662 ( 1.727 0.000 -4.175) 4.518 27.075 ( -2.636 0.000 0.681) 2.723 27.218 ( -3.135 0.000 3.230) 4.501 27.374 ( -3.738 0.000 9.398) 10.114 27.633 ( -8.568 0.000 3.151) 9.129 27.817 ( -1.151 0.000 2.118) 2.410 28.860 ( 0.914 0.000 -14.367) 14.396 30.137 ( 13.691 0.000 -7.420) 15.572 ======================= Grid point 142 (73/159) ======================= q-point: (-0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -8.909 0.000 42.751) 43.669 1.356 ( -21.334 0.000 38.645) 44.142 2.332 ( -37.622 0.000 59.172) 70.120 3.182 ( -11.273 0.000 13.127) 17.303 3.740 ( -1.620 0.000 6.819) 7.009 4.029 ( 0.033 0.000 18.088) 18.088 4.331 ( 16.978 0.000 6.675) 18.243 4.579 ( -5.213 0.000 7.441) 9.085 4.737 ( 0.640 0.000 20.717) 20.726 4.947 ( -0.241 0.000 20.792) 20.794 5.083 ( -7.237 0.000 -9.730) 12.126 5.518 ( 6.609 0.000 -10.421) 12.340 5.925 ( -5.791 0.000 17.122) 18.075 6.179 ( 3.156 0.000 -5.247) 6.123 6.215 ( 0.046 0.000 -28.617) 28.617 6.654 ( 6.592 0.000 5.043) 8.299 6.812 ( 21.165 0.000 5.287) 21.815 6.888 ( -4.520 0.000 10.269) 11.220 7.431 ( 11.691 0.000 5.916) 13.103 7.556 ( 4.888 0.000 3.248) 5.869 7.706 ( 12.550 0.000 -9.756) 15.896 7.898 ( 1.455 0.000 -2.254) 2.683 8.354 ( 15.319 0.000 0.979) 15.351 8.365 ( 8.419 0.000 -0.193) 8.421 8.874 ( -6.631 0.000 6.013) 8.951 8.881 ( -6.028 0.000 -12.615) 13.982 8.961 ( 0.657 0.000 -5.089) 5.131 8.992 ( 5.881 0.000 -8.437) 10.284 9.648 ( -17.149 0.000 -10.403) 20.058 9.693 ( -5.337 0.000 6.124) 8.123 9.793 ( 2.131 0.000 2.462) 3.256 10.206 ( 24.303 0.000 -3.808) 24.600 10.230 ( 17.971 0.000 -8.056) 19.694 10.273 ( 2.020 0.000 -2.894) 3.529 10.375 ( -14.716 0.000 -3.724) 15.180 10.744 ( 5.075 0.000 7.074) 8.706 11.171 ( -2.230 0.000 -0.280) 2.248 11.419 ( -4.247 0.000 3.416) 5.451 11.549 ( 3.995 0.000 0.857) 4.085 11.752 ( -2.947 0.000 0.192) 2.954 11.795 ( -2.827 0.000 3.893) 4.811 11.804 ( -17.252 0.000 -11.109) 20.519 12.006 ( 16.342 0.000 -9.108) 18.709 12.045 ( -16.670 0.000 2.656) 16.881 12.197 ( -12.415 0.000 -7.269) 14.386 12.244 ( 1.461 0.000 4.345) 4.584 12.518 ( -1.760 0.000 -0.653) 1.877 12.781 ( -8.319 0.000 6.121) 10.328 13.282 ( -9.629 0.000 -4.847) 10.780 13.380 ( -8.049 0.000 -8.419) 11.647 13.478 ( -3.213 0.000 7.881) 8.511 13.517 ( -4.682 0.000 -0.492) 4.707 13.842 ( 2.795 0.000 4.078) 4.944 13.976 ( 6.740 0.000 0.195) 6.743 14.085 ( 6.916 0.000 -3.255) 7.644 14.182 ( 6.895 0.000 4.611) 8.295 14.454 ( 0.566 0.000 -4.665) 4.699 14.472 ( -7.940 0.000 -7.711) 11.068 14.799 ( -3.079 0.000 1.607) 3.473 14.854 ( -4.032 0.000 -0.338) 4.046 15.133 ( 2.192 0.000 -10.260) 10.492 15.193 ( 0.611 0.000 4.241) 4.285 15.442 ( -8.326 0.000 -0.985) 8.384 15.514 ( -12.964 0.000 -4.544) 13.737 15.681 ( -6.517 0.000 -15.114) 16.459 15.767 ( 1.365 0.000 0.946) 1.661 16.224 ( 0.915 0.000 -3.652) 3.765 16.318 ( 3.541 0.000 -0.797) 3.630 16.320 ( 2.048 0.000 2.029) 2.883 16.584 ( -3.378 0.000 -9.833) 10.397 16.607 ( -3.265 0.000 -0.040) 3.265 17.061 ( -7.040 0.000 -2.190) 7.373 17.083 ( 2.125 0.000 0.799) 2.270 17.098 ( -9.632 0.000 2.146) 9.868 17.519 ( 1.001 0.000 -0.522) 1.129 17.588 ( -5.861 0.000 2.237) 6.274 17.927 ( 2.687 0.000 11.798) 12.100 18.370 ( 4.740 0.000 9.257) 10.400 18.991 ( 23.173 0.000 13.782) 26.962 19.279 ( 6.303 0.000 -3.576) 7.247 24.682 ( -1.642 0.000 -0.184) 1.653 24.796 ( -2.051 0.000 4.147) 4.626 24.835 ( -1.421 0.000 -1.675) 2.196 25.242 ( -2.260 0.000 -0.898) 2.432 25.898 ( -3.391 0.000 1.357) 3.652 26.232 ( -0.214 0.000 -7.111) 7.115 26.418 ( -3.782 0.000 -1.012) 3.915 26.525 ( -1.386 0.000 4.319) 4.536 26.651 ( 2.761 0.000 -3.333) 4.328 26.987 ( -13.097 0.000 -9.502) 16.181 27.064 ( -0.941 0.000 1.999) 2.209 27.405 ( -3.332 0.000 4.359) 5.486 27.795 ( 2.592 0.000 18.332) 18.514 27.869 ( 1.214 0.000 8.929) 9.011 28.751 ( 6.159 0.000 -4.544) 7.654 30.137 ( 3.733 0.000 -14.538) 15.010 ======================= Grid point 143 (74/159) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -1.605 8.318 38.595) 39.514 2.049 ( -1.025 16.659 41.877) 45.080 3.029 ( -0.959 -15.223 18.493) 23.972 3.255 ( 4.998 29.573 51.125) 59.273 3.545 ( 0.494 -21.804 16.349) 27.257 4.329 ( 2.832 -1.882 2.847) 4.435 4.582 ( 4.045 -4.367 -1.530) 6.146 4.732 ( -6.683 12.290 14.800) 20.365 4.892 ( -4.311 10.433 -0.578) 11.304 5.085 ( 1.958 10.446 -5.302) 11.877 5.303 ( -1.665 -1.505 28.808) 28.895 5.420 ( 10.737 -5.372 -17.150) 20.935 5.854 ( 2.539 -5.025 -0.586) 5.660 5.989 ( -4.784 -4.941 9.282) 11.552 6.157 ( 2.543 -5.525 7.752) 9.853 6.768 ( -0.967 -4.689 6.920) 8.415 6.915 ( 3.105 1.342 6.977) 7.754 7.095 ( 1.225 -3.748 13.047) 13.629 7.418 ( -3.832 -7.553 0.905) 8.518 7.567 ( 4.890 -7.031 2.445) 8.907 7.760 ( -0.672 0.176 -6.236) 6.275 7.882 ( 0.072 5.299 -5.872) 7.910 8.231 ( 4.318 -0.778 -2.742) 5.174 8.509 ( -15.659 5.946 -8.692) 18.871 8.726 ( -1.674 -3.188 -1.128) 3.773 8.856 ( -3.744 3.377 -1.314) 5.211 8.943 ( -0.204 2.398 -4.795) 5.365 9.033 ( 8.038 5.374 -2.015) 9.877 9.202 ( -9.718 -10.264 1.312) 14.195 9.540 ( -11.167 -5.180 -9.005) 15.253 9.769 ( -4.668 4.228 2.311) 6.709 10.145 ( 6.195 -9.978 1.929) 11.902 10.272 ( 5.540 0.253 -0.882) 5.615 10.397 ( 8.157 -3.412 -6.148) 10.770 10.692 ( 9.594 10.565 2.692) 14.523 10.986 ( 11.301 -0.079 4.466) 12.152 11.164 ( -9.065 5.476 -3.720) 11.225 11.313 ( -12.102 -0.149 5.838) 13.437 11.426 ( -17.015 4.062 -9.625) 19.966 11.644 ( -0.655 1.328 3.990) 4.256 11.715 ( -11.923 -4.183 0.668) 12.653 11.721 ( -3.501 2.459 -0.219) 4.284 11.837 ( 3.688 1.791 -0.537) 4.135 12.114 ( 8.802 -0.239 -9.476) 12.935 12.164 ( 1.276 -0.758 1.646) 2.216 12.399 ( 6.629 -1.503 -7.477) 10.105 12.488 ( 1.074 0.442 3.170) 3.377 12.638 ( 4.601 -0.918 -6.545) 8.053 13.052 ( 4.178 -6.910 -1.873) 8.289 13.265 ( -6.980 2.019 -7.479) 10.427 13.455 ( -3.027 3.039 5.289) 6.810 13.630 ( 10.384 2.655 1.085) 10.773 13.986 ( -3.291 -1.481 -4.989) 6.157 13.991 ( 3.091 1.862 5.189) 6.321 14.179 ( 11.577 0.581 -6.057) 13.079 14.210 ( -2.785 8.916 -5.159) 10.671 14.444 ( 4.771 -0.929 6.170) 7.854 14.633 ( -4.028 7.099 -0.029) 8.162 14.812 ( 2.673 1.886 0.175) 3.276 14.847 ( -7.074 0.199 -2.993) 7.683 14.952 ( 6.858 -4.720 -7.789) 11.400 15.038 ( -1.698 -6.014 -8.414) 10.480 15.227 ( 0.590 -8.528 7.708) 11.511 15.265 ( -2.537 -6.019 1.306) 6.661 15.577 ( -3.505 -5.938 -2.766) 7.429 15.852 ( -1.210 -13.515 -3.363) 13.979 16.018 ( -1.384 14.985 1.877) 15.165 16.333 ( -3.627 -1.117 -3.117) 4.911 16.483 ( 4.078 2.251 2.978) 5.528 16.528 ( -1.822 8.118 -3.893) 9.185 16.705 ( 2.792 10.412 -5.322) 12.022 16.859 ( -7.270 -1.049 -5.984) 9.474 17.133 ( 6.762 -0.389 5.439) 8.687 17.184 ( 4.532 0.042 4.569) 6.436 17.377 ( -1.795 -7.394 2.819) 8.115 17.619 ( -1.226 -0.657 -0.887) 1.649 18.205 ( 0.308 8.485 11.149) 14.015 18.463 ( -6.553 2.068 5.882) 9.045 19.153 ( 6.627 -6.621 -2.004) 9.580 19.290 ( 1.018 -2.649 -4.351) 5.194 24.677 ( 0.609 0.134 1.318) 1.458 24.768 ( 0.151 -2.381 2.191) 3.239 24.897 ( 0.104 4.762 0.867) 4.841 25.179 ( -0.075 -2.948 -1.646) 3.377 25.901 ( -0.466 1.688 1.174) 2.108 26.128 ( 0.127 -4.411 -4.577) 6.358 26.340 ( -4.099 3.159 -0.182) 5.179 26.474 ( -3.151 -0.588 0.461) 3.238 26.646 ( 2.361 -0.842 -0.995) 2.697 26.730 ( -5.570 -0.409 -5.408) 7.775 27.034 ( 1.291 -7.016 2.836) 7.677 27.183 ( -0.393 -14.309 3.741) 14.796 27.812 ( -1.453 -0.480 20.025) 20.083 28.125 ( 5.414 -4.442 23.098) 24.137 29.288 ( 7.057 27.564 -21.921) 35.918 29.924 ( -2.749 -1.709 -18.517) 18.798 ======================= Grid point 144 (75/159) ======================= q-point: ( 0.08 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.856 2.939 38.859) 38.979 2.584 ( 7.726 14.177 40.366) 43.476 3.302 ( 10.439 -20.471 15.829) 27.903 3.710 ( 1.996 -19.526 15.571) 25.054 4.164 ( 22.426 21.396 38.766) 49.634 4.280 ( 1.350 -7.963 -8.242) 11.540 4.451 ( -2.461 -12.823 -20.042) 23.920 4.765 ( -5.647 7.877 2.535) 10.018 4.866 ( -3.637 11.520 -5.310) 13.196 5.051 ( 4.629 4.904 4.343) 8.022 5.380 ( 5.181 -0.027 3.791) 6.420 5.591 ( -3.773 7.229 13.784) 16.015 5.955 ( -2.444 16.960 7.916) 18.875 6.041 ( 5.232 -13.703 7.486) 16.468 6.418 ( 2.683 -9.431 19.262) 21.614 6.756 ( -7.605 3.221 1.355) 8.369 6.911 ( -10.531 -2.806 2.270) 11.132 7.066 ( -14.234 -7.142 -0.841) 15.947 7.264 ( -7.905 4.168 -3.690) 9.669 7.583 ( -8.120 -0.332 2.831) 8.606 7.633 ( -18.816 6.879 -7.241) 21.303 7.835 ( 7.768 -6.028 4.096) 10.652 8.074 ( -12.799 0.767 0.618) 12.837 8.423 ( 5.294 2.036 -1.843) 5.964 8.641 ( -11.357 9.649 0.128) 14.903 8.795 ( 1.027 -10.550 -5.580) 11.979 8.888 ( 0.738 -8.458 0.303) 8.496 9.073 ( -4.882 0.017 -4.168) 6.419 9.157 ( -2.447 -7.540 2.172) 8.220 9.316 ( -3.413 5.791 -1.824) 6.965 9.732 ( -2.024 6.007 1.766) 6.581 10.125 ( -2.578 3.219 -1.590) 4.420 10.332 ( -0.547 -10.694 -2.016) 10.896 10.475 ( 7.300 -10.118 -4.533) 13.274 10.831 ( 4.600 9.793 -2.616) 11.131 10.922 ( -9.341 7.389 -0.009) 11.910 11.141 ( -2.280 2.474 -0.919) 3.487 11.166 ( -5.122 -0.840 -2.243) 5.655 11.242 ( -5.553 -2.953 9.335) 11.256 11.436 ( -13.801 0.541 0.477) 13.820 11.683 ( -4.215 1.031 0.850) 4.421 11.707 ( -0.749 2.021 1.190) 2.462 11.931 ( 4.564 -1.267 -0.468) 4.759 12.089 ( 4.575 3.383 -6.143) 8.373 12.228 ( 6.843 -1.966 -0.881) 7.174 12.471 ( 11.482 -0.981 -2.617) 11.817 12.550 ( 8.027 -3.001 -5.049) 9.946 12.705 ( 13.020 1.671 -8.903) 15.861 13.034 ( 2.132 -1.360 -7.805) 8.204 13.243 ( 8.258 -8.353 -3.421) 12.234 13.490 ( 0.280 1.859 1.835) 2.627 13.805 ( 3.537 3.269 -4.084) 6.315 13.891 ( 8.449 3.517 -0.459) 9.164 13.976 ( -0.986 -2.198 -5.542) 6.043 14.189 ( 1.297 0.473 2.539) 2.890 14.344 ( 4.659 6.103 1.900) 7.910 14.459 ( -1.744 11.636 -10.231) 15.592 14.582 ( -6.482 -5.648 2.307) 8.901 14.637 ( 5.077 3.516 -2.324) 6.598 14.909 ( 9.766 -3.627 -0.045) 10.418 15.038 ( 10.757 -2.587 -10.013) 14.922 15.092 ( 6.161 -4.073 2.890) 7.931 15.266 ( -5.827 -4.275 9.776) 12.158 15.306 ( -2.759 -10.059 5.901) 11.984 15.482 ( -3.852 -2.321 -0.127) 4.499 15.822 ( 2.024 -12.328 -2.484) 12.738 16.012 ( -2.069 13.552 1.908) 13.841 16.200 ( -5.310 1.731 -5.357) 7.739 16.458 ( 0.149 3.081 -4.199) 5.210 16.599 ( 1.047 5.178 2.523) 5.854 16.657 ( -1.055 4.634 -3.277) 5.773 16.752 ( 5.039 10.067 -6.271) 12.887 17.280 ( 1.080 -3.905 0.157) 4.054 17.288 ( 4.938 -2.152 3.691) 6.530 17.447 ( 4.199 -5.879 5.688) 9.195 17.581 ( 0.091 -2.819 -1.628) 3.256 18.362 ( 1.574 4.934 12.315) 13.359 18.403 ( -8.660 3.054 4.397) 10.182 19.115 ( -4.308 -2.188 -4.045) 6.301 19.231 ( -1.432 -3.794 -3.301) 5.229 24.724 ( 2.821 0.317 1.703) 3.310 24.801 ( 2.080 -0.277 0.457) 2.147 24.934 ( 1.093 2.497 3.483) 4.423 25.169 ( 1.944 -2.722 -2.702) 4.300 25.937 ( 3.407 1.132 1.109) 3.757 26.111 ( 3.159 -5.072 -2.144) 6.349 26.347 ( 3.510 5.360 1.304) 6.538 26.469 ( 2.768 -0.715 -0.305) 2.875 26.588 ( -1.759 3.269 -3.496) 5.099 26.734 ( 6.524 0.531 -1.213) 6.657 27.083 ( 0.872 -7.329 2.809) 7.897 27.225 ( 2.447 -10.706 0.551) 10.996 27.992 ( -4.385 5.407 16.641) 18.038 28.468 ( 2.822 -5.546 22.155) 23.013 29.095 ( -0.555 15.803 -17.854) 23.850 29.605 ( -7.414 -2.250 -20.617) 22.025 ======================= Grid point 145 (76/159) ======================= q-point: ( 0.15 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 2.690 5.024 33.360) 33.844 3.248 ( 15.291 8.473 36.671) 40.624 3.689 ( 14.492 -18.783 12.034) 26.602 3.941 ( 5.644 -12.192 9.145) 16.252 4.087 ( -0.488 -10.796 -25.187) 27.407 4.158 ( 3.626 -9.757 -11.462) 15.483 4.540 ( -1.329 0.477 -1.370) 1.967 4.670 ( 8.261 7.366 -23.194) 25.700 4.910 ( -4.422 0.887 6.052) 7.548 5.203 ( -1.856 -2.359 12.439) 12.796 5.613 ( -0.072 14.659 12.714) 19.404 5.701 ( 9.610 14.276 16.326) 23.721 5.894 ( -12.096 9.257 8.001) 17.205 6.220 ( 3.882 -4.709 -4.030) 7.313 6.443 ( -8.834 -9.749 -5.146) 14.126 6.654 ( -15.053 2.044 11.509) 19.058 6.758 ( -10.116 4.096 2.598) 11.219 6.822 ( -7.072 5.895 -3.556) 9.869 7.122 ( -12.427 1.075 -3.654) 12.998 7.323 ( -11.010 2.371 8.839) 14.317 7.471 ( -12.431 -2.519 6.410) 14.211 7.777 ( -16.001 -3.381 -7.403) 17.952 8.024 ( 3.378 -10.311 1.625) 10.971 8.398 ( -13.337 4.271 0.018) 14.005 8.466 ( -5.705 17.437 2.478) 18.513 8.668 ( -8.712 -13.617 -5.229) 16.990 8.900 ( -3.054 -4.610 -6.657) 8.654 8.982 ( 3.714 -5.344 3.565) 7.420 9.102 ( -8.617 -7.486 3.505) 11.940 9.348 ( 1.622 3.340 5.750) 6.845 9.719 ( -5.844 9.843 3.502) 11.971 10.070 ( -4.764 0.240 -3.901) 6.162 10.290 ( 2.583 1.675 -2.101) 3.727 10.568 ( 10.812 -6.976 4.478) 13.624 10.746 ( -5.468 5.570 -5.221) 9.391 10.908 ( -3.902 1.773 5.127) 6.683 11.032 ( -10.653 -1.801 0.570) 10.819 11.059 ( 1.606 0.784 -3.229) 3.691 11.292 ( -2.272 -4.441 3.913) 6.339 11.395 ( -0.398 0.571 5.638) 5.680 11.612 ( -1.975 -0.246 -0.399) 2.030 11.695 ( -4.393 2.283 1.647) 5.218 11.897 ( 1.469 4.399 -7.390) 8.725 12.176 ( 7.963 1.464 -0.587) 8.118 12.316 ( 7.285 -1.951 -4.623) 8.846 12.599 ( 7.012 -4.008 -0.642) 8.103 12.662 ( 9.285 -3.567 -2.957) 10.377 12.794 ( 13.434 3.504 -8.918) 16.501 13.026 ( 7.662 -6.824 -5.360) 11.576 13.293 ( 6.112 -14.632 -3.791) 16.304 13.501 ( 3.405 5.468 -1.481) 6.609 13.769 ( 0.977 4.154 -3.598) 5.582 13.990 ( 4.493 0.868 1.995) 4.993 14.071 ( 11.525 4.724 -5.417) 13.582 14.150 ( -1.993 -1.488 -0.762) 2.601 14.260 ( -7.867 0.321 -4.345) 8.993 14.420 ( 1.007 9.931 -0.078) 9.982 14.517 ( 0.656 6.023 -2.193) 6.443 14.885 ( 13.769 -0.921 5.972) 15.036 15.045 ( 5.040 -1.692 -4.539) 6.990 15.069 ( 10.501 -4.949 -5.078) 12.671 15.124 ( -5.271 -0.735 3.916) 6.608 15.293 ( 1.580 -3.794 5.950) 7.232 15.350 ( -2.102 -7.532 5.499) 9.560 15.525 ( 3.921 -0.613 4.315) 5.862 15.823 ( 2.923 -8.062 -5.058) 9.956 16.020 ( 2.359 2.533 -3.058) 4.619 16.077 ( -1.552 8.406 -3.272) 9.153 16.418 ( -1.472 2.080 -4.920) 5.541 16.462 ( -4.575 -1.807 -3.751) 6.186 16.753 ( 4.956 12.238 -4.105) 13.827 16.782 ( 3.886 8.529 4.961) 10.605 17.258 ( 1.124 -7.200 -2.529) 7.714 17.426 ( 5.291 -0.828 3.188) 6.232 17.487 ( 0.716 -5.783 -0.910) 5.898 17.640 ( 2.358 -4.555 3.784) 6.374 18.314 ( -7.047 6.243 2.664) 9.784 18.563 ( 4.955 1.044 11.587) 12.645 18.970 ( -7.058 -0.084 -4.738) 8.502 19.172 ( -2.320 -3.682 -2.004) 4.792 24.795 ( 3.594 0.370 1.257) 3.825 24.843 ( 3.571 1.557 -0.762) 3.970 25.003 ( 0.546 0.304 5.313) 5.349 25.167 ( 2.735 -2.399 -3.811) 5.269 26.030 ( 6.558 0.617 1.362) 6.727 26.164 ( 5.922 -4.914 -1.357) 7.814 26.429 ( 4.222 7.904 0.202) 8.963 26.559 ( 5.787 1.177 -2.605) 6.455 26.580 ( 7.466 -2.019 1.891) 7.962 26.837 ( 7.631 4.529 0.024) 8.874 27.134 ( 1.665 -10.642 2.608) 11.083 27.290 ( 5.677 -5.291 0.546) 7.779 28.084 ( -7.284 11.092 13.978) 19.274 28.733 ( -1.115 -6.382 19.004) 20.078 28.845 ( -5.837 7.465 -15.154) 17.873 29.216 ( -9.461 -2.706 -21.116) 23.296 ======================= Grid point 146 (77/159) ======================= q-point: ( 0.23 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 5.621 5.252 24.739) 25.908 3.649 ( 1.213 4.029 -22.525) 22.914 3.817 ( 5.749 5.085 15.317) 17.133 3.994 ( 10.108 -8.955 -2.461) 13.727 4.100 ( 7.036 -6.728 -9.311) 13.471 4.315 ( 5.982 -0.901 15.326) 16.476 4.449 ( -0.371 -12.262 -2.669) 12.554 4.649 ( 11.613 -16.486 -16.390) 25.986 4.726 ( -3.971 2.092 0.607) 4.529 5.096 ( -8.732 4.245 -1.530) 9.829 5.637 ( -10.560 0.189 -5.197) 11.771 5.805 ( 0.149 4.197 3.123) 5.233 5.989 ( -11.200 2.466 6.281) 13.076 6.144 ( -1.809 9.705 4.736) 10.949 6.319 ( 2.334 -5.086 -10.423) 11.830 6.458 ( -16.636 1.780 2.032) 16.854 6.656 ( -11.938 -3.235 2.075) 12.541 6.767 ( 0.008 18.695 -0.093) 18.695 6.905 ( -6.089 -2.656 -3.040) 7.306 7.304 ( -9.797 -0.702 7.169) 12.160 7.386 ( -10.522 -1.035 5.769) 12.044 7.468 ( -10.171 -1.770 -1.667) 10.458 8.040 ( -0.817 -8.105 -3.625) 8.916 8.171 ( -16.260 1.075 3.064) 16.582 8.443 ( -2.820 12.133 4.441) 13.224 8.479 ( -8.566 1.043 0.907) 8.677 8.793 ( -1.788 -9.299 -6.823) 11.671 9.012 ( -7.401 -3.344 3.277) 8.757 9.048 ( -1.796 -2.793 5.070) 6.061 9.424 ( -5.795 -2.388 6.753) 9.214 9.635 ( -8.656 11.215 2.722) 14.426 9.858 ( -12.536 4.772 -5.047) 14.332 10.351 ( 8.926 9.242 -4.725) 13.690 10.629 ( 0.541 0.988 -2.128) 2.408 10.808 ( -3.656 -1.860 5.540) 6.893 10.845 ( -9.109 -5.798 1.008) 10.844 11.033 ( 7.464 -7.538 8.908) 13.852 11.066 ( 5.241 -3.199 -1.819) 6.404 11.317 ( -3.243 -0.283 1.041) 3.418 11.396 ( 0.962 2.991 1.220) 3.370 11.555 ( -5.928 0.922 -0.511) 6.021 11.734 ( 6.052 2.505 6.942) 9.544 11.885 ( 2.210 5.868 -0.685) 6.308 12.223 ( 3.723 -1.282 -10.087) 10.828 12.364 ( 6.407 -7.221 0.193) 9.655 12.616 ( 6.783 -4.846 -11.765) 14.420 12.698 ( -0.665 -2.759 -1.474) 3.198 12.951 ( 9.332 -3.143 3.604) 10.486 13.126 ( 6.430 -7.352 2.102) 9.991 13.402 ( 12.069 -12.507 -1.133) 17.418 13.630 ( 10.322 12.305 2.942) 16.328 13.741 ( -0.277 0.238 -3.077) 3.099 13.999 ( -2.195 -3.343 -3.451) 5.282 14.060 ( 1.000 10.450 -7.279) 12.774 14.139 ( -0.322 3.283 1.402) 3.585 14.277 ( 8.080 1.113 2.676) 8.584 14.405 ( 0.616 5.530 -2.755) 6.209 14.492 ( -1.569 6.860 0.333) 7.045 14.958 ( -0.900 -0.370 -1.249) 1.583 15.098 ( 1.956 -0.732 4.472) 4.936 15.181 ( 7.324 -3.230 -7.567) 11.015 15.259 ( -6.509 -5.995 4.808) 10.071 15.283 ( 13.578 0.118 5.137) 14.517 15.494 ( 7.285 -4.113 4.544) 9.520 15.601 ( 2.305 0.314 -1.257) 2.644 15.774 ( 2.005 -8.736 -9.055) 12.741 15.998 ( 1.379 6.847 1.031) 7.060 16.103 ( 4.848 4.590 -1.729) 6.896 16.268 ( -4.148 -0.586 -5.566) 6.966 16.451 ( -0.071 -3.462 1.946) 3.972 16.775 ( 6.485 11.275 -4.762) 13.851 16.906 ( 2.684 4.430 5.754) 7.742 17.288 ( 4.272 -4.263 0.840) 6.093 17.429 ( -1.090 1.093 -1.957) 2.493 17.589 ( 5.613 -8.340 2.846) 10.448 17.705 ( 2.551 -3.832 2.348) 5.168 18.266 ( -1.947 9.201 0.934) 9.451 18.757 ( -2.787 -4.774 3.212) 6.394 18.799 ( 0.704 3.829 -2.285) 4.514 19.101 ( -3.636 -3.442 -2.323) 5.519 24.855 ( 3.228 1.040 -0.255) 3.401 24.892 ( 3.847 1.517 -0.763) 4.205 25.070 ( -0.675 -0.866 5.674) 5.780 25.159 ( 2.663 -1.978 -4.303) 5.433 26.162 ( 7.746 0.102 1.622) 7.914 26.248 ( 6.428 -4.005 -0.881) 7.624 26.475 ( 2.868 7.135 -1.043) 7.761 26.614 ( 6.210 -0.279 -2.762) 6.802 26.763 ( 9.529 -2.262 1.225) 9.870 26.983 ( 9.364 7.139 3.572) 12.304 27.209 ( 4.934 -9.603 1.630) 10.919 27.422 ( 9.130 -4.272 2.588) 10.407 28.120 ( -7.786 13.647 11.827) 19.666 28.538 ( -9.923 4.200 -14.838) 18.338 28.807 ( -7.772 -5.008 -15.464) 18.017 28.920 ( -5.738 -5.484 12.393) 14.717 ======================= Grid point 147 (78/159) ======================= q-point: ( 0.31 0.20 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( -4.639 2.818 5.191) 7.511 3.486 ( 3.252 6.397 -8.713) 11.288 3.691 ( -16.686 8.200 -7.288) 19.969 4.010 ( -13.085 4.682 5.279) 14.867 4.038 ( 11.623 -1.739 -13.718) 18.064 4.413 ( 6.818 8.481 -5.421) 12.157 4.531 ( 7.193 -16.453 3.383) 18.273 4.729 ( 20.532 -13.342 -11.356) 26.991 5.017 ( 12.088 -4.148 7.719) 14.930 5.097 ( 2.896 -6.246 13.776) 15.401 5.417 ( -5.770 -5.897 -7.390) 11.076 5.750 ( -0.887 -12.753 -1.983) 12.937 5.868 ( -8.167 12.628 1.733) 15.138 5.980 ( -10.725 12.014 -6.947) 17.540 6.225 ( -7.214 -5.736 -8.782) 12.730 6.309 ( -2.065 4.552 -5.513) 7.442 6.478 ( -3.774 -8.143 -0.525) 8.991 6.721 ( -8.506 1.213 2.250) 8.881 6.854 ( 1.374 3.528 -3.605) 5.227 7.111 ( -17.920 -3.697 -3.645) 18.657 7.321 ( -7.768 -8.331 0.027) 11.391 7.366 ( -1.141 14.952 2.316) 15.174 7.892 ( -8.485 -0.891 -5.573) 10.191 8.015 ( -12.321 3.791 6.649) 14.505 8.430 ( -3.131 0.201 3.118) 4.423 8.475 ( 2.052 8.775 -3.018) 9.504 8.679 ( -3.333 -7.837 -4.892) 9.821 8.926 ( -8.888 0.528 1.203) 8.984 9.092 ( -1.722 -5.464 9.169) 10.811 9.287 ( -12.997 -6.203 -2.972) 14.704 9.565 ( -6.556 11.513 4.944) 14.141 9.645 ( -7.382 11.503 -2.048) 13.821 10.423 ( 4.368 6.038 -3.036) 8.047 10.573 ( -9.631 4.943 3.154) 11.275 10.729 ( -6.766 -6.020 3.420) 9.680 10.786 ( -1.445 0.019 -1.861) 2.356 11.004 ( -3.267 -4.386 -7.414) 9.213 11.126 ( -1.577 1.228 -8.231) 8.470 11.352 ( 7.627 -5.068 6.322) 11.128 11.523 ( 1.901 -1.425 2.847) 3.708 11.569 ( 6.636 -1.358 7.566) 10.155 11.888 ( -0.500 5.950 -2.853) 6.618 11.947 ( 5.150 0.684 10.004) 11.273 12.143 ( 2.823 0.570 -5.443) 6.158 12.477 ( 3.682 -7.261 0.722) 8.173 12.644 ( 7.278 -7.645 0.317) 10.560 12.669 ( 1.406 -5.069 0.023) 5.261 13.053 ( 1.037 -18.878 0.691) 18.919 13.273 ( 4.301 2.570 4.663) 6.845 13.575 ( 10.317 -6.320 -3.746) 12.665 13.662 ( -2.455 3.446 -3.504) 5.494 13.768 ( 5.540 11.184 -1.595) 12.583 13.949 ( -0.619 8.863 -3.999) 9.743 13.989 ( -0.784 8.728 0.734) 8.794 14.246 ( 8.517 1.587 5.248) 10.129 14.330 ( 0.611 5.891 -3.138) 6.702 14.499 ( -0.118 3.111 2.602) 4.057 14.517 ( 10.293 -4.328 5.468) 12.433 14.965 ( 0.250 2.559 3.290) 4.176 15.035 ( -4.157 0.567 -11.130) 11.894 15.215 ( 1.041 -3.999 7.695) 8.734 15.292 ( 0.952 -6.311 6.491) 9.103 15.489 ( 5.067 -2.963 -0.290) 5.877 15.587 ( 2.061 -1.372 -1.001) 2.671 15.628 ( 8.911 3.608 -4.108) 10.454 15.749 ( 4.587 -5.054 -1.570) 7.003 16.069 ( -2.915 7.124 7.196) 10.538 16.183 ( 5.952 0.185 2.419) 6.427 16.199 ( 2.909 -5.106 -2.023) 6.215 16.482 ( -0.375 -5.195 3.807) 6.451 16.829 ( 6.889 9.040 -4.761) 12.322 16.992 ( 1.412 5.334 1.880) 5.829 17.372 ( 1.112 -0.999 2.846) 3.215 17.425 ( 4.067 0.254 0.963) 4.187 17.664 ( 2.620 -6.589 -0.196) 7.093 17.802 ( 5.587 -4.784 1.838) 7.582 18.266 ( 2.302 9.280 -1.886) 9.745 18.541 ( -8.418 1.554 -9.545) 12.821 18.933 ( 4.749 -3.577 1.290) 6.084 19.008 ( -3.851 -2.367 -1.892) 4.900 24.890 ( 2.871 1.518 -1.608) 3.624 24.936 ( 2.739 0.813 -0.618) 2.924 25.115 ( -1.924 -1.156 4.917) 5.405 25.152 ( 2.784 -1.523 -3.442) 4.682 26.292 ( 6.174 -0.428 1.265) 6.317 26.333 ( 5.442 -2.586 -0.432) 6.040 26.500 ( 2.239 5.379 -1.276) 5.964 26.667 ( 5.366 -1.168 -3.461) 6.491 26.869 ( 6.317 1.921 -2.977) 7.243 27.187 ( 8.003 0.087 3.839) 8.876 27.334 ( 8.543 -2.044 3.051) 9.299 27.626 ( 10.454 -5.666 4.846) 12.840 28.108 ( -7.433 7.019 -2.748) 10.586 28.233 ( -9.191 10.025 -0.525) 13.611 28.492 ( -5.699 -3.747 -16.162) 17.542 28.984 ( -8.325 -7.224 13.164) 17.169 ======================= Grid point 148 (79/159) ======================= q-point: ( 0.38 0.20 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( -15.583 4.077 -2.223) 16.260 3.336 ( -24.116 0.224 8.583) 25.599 3.567 ( 8.531 8.615 -3.493) 12.618 3.944 ( -1.089 4.671 2.935) 5.623 4.147 ( 19.704 5.134 -12.170) 23.722 4.406 ( 4.049 4.221 -7.112) 9.208 4.650 ( 6.731 -3.409 -3.416) 8.282 4.888 ( 6.364 -10.270 -3.922) 12.703 5.082 ( 8.241 -3.836 0.541) 9.106 5.316 ( -3.612 1.568 -8.192) 9.090 5.362 ( 9.893 -7.520 -0.584) 12.441 5.681 ( -2.904 -0.222 -5.793) 6.484 5.775 ( -11.276 0.953 -10.205) 15.238 5.868 ( -2.536 1.099 1.769) 3.281 5.968 ( 1.058 -5.566 -4.714) 7.371 6.237 ( 4.084 3.032 -6.881) 8.557 6.449 ( -8.803 -13.223 -0.858) 15.908 6.632 ( -0.404 -7.727 3.483) 8.486 6.788 ( -12.086 -6.812 -2.364) 14.074 6.846 ( -1.648 4.985 1.787) 5.546 7.157 ( -5.465 -9.027 -5.198) 11.763 7.414 ( 0.099 22.420 -0.308) 22.422 7.693 ( -4.908 6.270 -6.940) 10.562 7.953 ( -9.870 6.845 10.740) 16.113 8.319 ( 0.053 -4.333 -15.397) 15.996 8.452 ( -1.848 0.097 -3.862) 4.283 8.577 ( -4.370 -1.224 -1.561) 4.799 8.772 ( -7.573 2.370 -1.984) 8.180 9.038 ( -9.474 -8.884 -6.409) 14.483 9.199 ( -2.098 -5.877 10.158) 11.922 9.511 ( -5.948 9.611 1.776) 11.441 9.577 ( -1.670 7.379 -0.249) 7.570 10.306 ( -12.450 2.342 0.547) 12.681 10.546 ( -3.898 1.478 -2.699) 4.967 10.655 ( -1.854 0.157 0.804) 2.027 10.747 ( -8.137 4.535 -8.916) 12.895 10.796 ( 0.424 1.831 5.960) 6.249 11.134 ( 6.812 -6.659 -7.072) 11.864 11.388 ( -1.415 1.698 -2.252) 3.155 11.640 ( 2.512 -8.436 4.011) 9.673 11.749 ( 6.026 1.571 1.659) 6.445 11.801 ( -1.639 2.821 -4.322) 5.415 12.082 ( 3.033 -2.896 5.362) 6.807 12.216 ( 1.914 6.652 5.405) 8.783 12.485 ( 1.341 -2.967 -1.830) 3.735 12.684 ( -1.110 -11.320 -0.771) 11.401 12.874 ( 8.482 -4.716 13.941) 16.986 13.044 ( 0.433 -16.382 -4.135) 16.902 13.285 ( 0.421 1.218 -3.080) 3.338 13.601 ( -0.513 1.683 -7.163) 7.375 13.686 ( 6.002 10.707 3.466) 12.754 13.757 ( 1.163 10.238 -6.186) 12.018 13.964 ( 2.872 -1.616 4.386) 5.486 14.008 ( -2.012 13.200 4.982) 14.251 14.302 ( 4.135 2.434 -7.034) 8.514 14.430 ( 4.460 -7.850 1.053) 9.090 14.532 ( -0.014 2.875 1.144) 3.094 14.715 ( 5.890 1.357 8.184) 10.173 14.917 ( 0.032 -2.511 1.753) 3.063 15.080 ( 4.098 4.280 9.322) 11.046 15.289 ( -4.627 -7.811 12.594) 15.525 15.491 ( 3.011 -3.208 -3.583) 5.674 15.494 ( 8.239 0.728 10.814) 13.614 15.596 ( 3.541 0.571 -4.218) 5.537 15.749 ( 5.917 0.331 1.028) 6.015 15.825 ( 3.542 -1.431 4.731) 6.081 16.039 ( -7.665 2.944 4.802) 9.512 16.284 ( 4.130 -7.623 1.015) 8.729 16.330 ( 5.777 -1.605 5.368) 8.047 16.548 ( 1.529 -5.417 6.793) 8.822 16.852 ( 3.323 10.725 -4.142) 11.968 16.961 ( -3.112 7.966 -4.687) 9.753 17.427 ( 2.321 -2.063 2.026) 3.708 17.539 ( 4.544 -0.576 4.460) 6.393 17.668 ( 0.761 -5.038 -4.008) 6.483 17.877 ( 0.596 -1.331 0.624) 1.587 18.272 ( 4.048 4.972 -6.925) 9.437 18.336 ( -1.247 1.664 -7.694) 7.970 18.878 ( -2.940 -1.501 -5.063) 6.044 19.016 ( 1.369 -3.368 -1.180) 3.823 24.907 ( 2.251 1.419 -1.862) 3.248 24.959 ( 1.281 0.500 -0.739) 1.560 25.129 ( -2.874 -0.880 3.672) 4.745 25.169 ( 3.422 -1.438 -1.621) 4.050 26.369 ( 2.978 -0.851 0.008) 3.098 26.402 ( 3.384 -1.180 -0.045) 3.584 26.513 ( 1.402 4.510 -1.253) 4.887 26.697 ( 5.348 -1.540 -5.255) 7.655 26.911 ( 4.815 4.062 -3.710) 7.310 27.270 ( 2.527 -6.268 -2.709) 7.282 27.515 ( 5.234 4.759 2.423) 7.477 27.783 ( 2.746 -4.161 -2.238) 5.465 27.894 ( -1.662 0.072 -2.746) 3.211 28.221 ( -8.589 9.104 -0.407) 12.523 28.319 ( 6.096 0.254 1.766) 6.352 28.979 ( -10.094 -7.018 9.701) 15.660 ======================= Grid point 149 (80/159) ======================= q-point: ( 0.46 0.20 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 3.486 0.283 5.601) 6.603 3.108 ( -17.579 -0.885 10.605) 20.549 3.701 ( 3.368 8.505 7.142) 11.605 3.997 ( 0.241 4.283 4.315) 6.085 4.316 ( 17.520 10.892 -9.069) 22.535 4.394 ( 6.411 5.819 -8.079) 11.842 4.691 ( 6.421 -0.521 -7.187) 9.652 4.860 ( -2.550 4.964 -5.615) 7.916 5.095 ( -0.635 -3.187 -11.991) 12.423 5.198 ( 2.433 -7.605 -3.607) 8.761 5.349 ( -10.990 -2.328 -14.325) 18.205 5.459 ( 1.278 -0.215 -7.272) 7.386 5.561 ( -1.390 -6.871 -7.129) 9.998 5.792 ( -2.360 2.839 -5.989) 7.036 5.906 ( -1.719 -6.778 -6.274) 9.395 6.112 ( -13.131 -13.926 -5.173) 19.827 6.462 ( 10.126 -3.023 1.566) 10.683 6.643 ( -1.211 -3.049 4.396) 5.485 6.791 ( 1.933 12.801 -4.504) 13.707 6.859 ( 3.108 -7.977 5.010) 9.920 7.065 ( -2.168 -7.075 -2.689) 7.873 7.299 ( -5.204 11.527 -7.459) 14.683 7.657 ( 5.747 14.138 -1.467) 15.332 7.920 ( -7.317 5.039 2.174) 9.146 8.141 ( -2.874 -12.998 -8.889) 16.007 8.279 ( -5.502 -2.175 -6.857) 9.057 8.554 ( 0.411 2.162 1.796) 2.841 8.707 ( -1.047 -2.880 0.694) 3.142 8.879 ( -2.321 -5.709 -3.443) 7.059 9.236 ( -3.789 -3.664 3.078) 6.104 9.411 ( -4.296 7.669 -4.420) 9.839 9.577 ( 1.074 -0.682 0.795) 1.501 10.155 ( -5.956 3.044 -0.327) 6.697 10.369 ( -6.321 -1.071 -6.688) 9.265 10.574 ( -3.388 -0.191 0.020) 3.394 10.701 ( 0.010 3.636 -0.005) 3.636 10.931 ( 5.425 1.689 7.430) 9.353 11.120 ( 2.574 -4.856 -7.267) 9.111 11.321 ( -2.907 2.358 -2.233) 4.358 11.611 ( -3.414 1.330 -2.949) 4.703 11.739 ( -1.931 -6.506 -0.464) 6.803 11.805 ( -0.613 -1.970 -3.739) 4.270 12.192 ( 2.619 0.171 2.978) 3.969 12.263 ( 1.176 5.525 0.209) 5.653 12.440 ( -3.023 2.933 -8.774) 9.733 12.687 ( 4.593 -8.428 4.868) 10.762 12.950 ( 0.375 -1.577 -10.512) 10.636 13.200 ( 8.108 -6.111 9.479) 13.890 13.316 ( 0.720 3.120 8.946) 9.502 13.474 ( -0.471 1.678 -8.681) 8.854 13.721 ( 2.203 7.967 -0.631) 8.290 13.807 ( 3.496 7.351 1.459) 8.270 14.017 ( -1.312 2.630 2.258) 3.706 14.105 ( -1.882 -0.219 12.551) 12.693 14.287 ( 1.144 4.413 1.059) 4.681 14.456 ( 3.952 -4.520 -3.989) 7.209 14.516 ( -3.859 5.831 3.076) 7.639 14.932 ( 2.826 -4.341 7.349) 8.991 14.981 ( 2.844 -0.196 6.739) 7.318 15.246 ( 1.330 -4.320 8.689) 9.795 15.392 ( -5.411 -12.475 12.380) 18.390 15.542 ( 5.157 2.034 3.431) 6.519 15.579 ( 1.034 3.648 -0.752) 3.866 15.701 ( 2.552 0.730 1.171) 2.901 15.882 ( 7.059 0.252 6.454) 9.568 15.992 ( -5.890 0.371 6.173) 8.540 16.005 ( 5.728 0.444 14.767) 15.845 16.287 ( -0.842 -12.813 -3.310) 13.260 16.470 ( 3.318 0.983 5.397) 6.411 16.671 ( 1.259 -0.545 4.905) 5.094 16.824 ( -2.336 8.857 -8.176) 12.278 16.863 ( 1.390 8.474 2.727) 9.010 17.422 ( -2.909 -3.861 -4.548) 6.638 17.568 ( -2.667 -4.581 -7.005) 8.784 17.661 ( 0.454 3.987 4.064) 5.711 17.837 ( -3.610 0.378 2.521) 4.420 18.247 ( 5.521 0.261 -9.854) 11.299 18.326 ( 6.185 -0.439 -2.802) 6.804 18.785 ( -0.319 0.388 -5.684) 5.706 18.965 ( -2.419 -2.729 -6.015) 7.034 24.915 ( 1.187 1.080 -1.247) 2.032 24.959 ( -0.098 0.515 -0.526) 0.743 25.116 ( -3.546 -0.142 2.407) 4.289 25.217 ( 3.937 -2.052 -0.134) 4.441 26.394 ( 0.390 -0.570 -0.148) 0.707 26.422 ( -0.532 -0.689 -0.804) 1.185 26.518 ( 2.128 4.033 -1.630) 4.842 26.704 ( 5.175 -1.402 -6.977) 8.799 26.934 ( 3.351 3.762 -2.755) 5.742 27.206 ( -3.578 -4.099 -6.003) 8.102 27.455 ( -3.990 3.745 -6.396) 8.417 27.720 ( -2.760 -5.418 -8.071) 10.105 28.025 ( 9.892 2.149 6.809) 12.200 28.100 ( -6.643 5.736 3.593) 9.483 28.557 ( 12.590 0.306 8.614) 15.258 28.912 ( -11.053 -5.635 6.331) 13.928 ======================= Grid point 150 (81/159) ======================= q-point: (-0.46 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( -5.931 2.145 10.700) 12.421 3.335 ( 14.468 -3.960 7.386) 16.720 3.776 ( -3.739 11.331 3.479) 12.429 3.938 ( -18.171 6.195 4.977) 19.832 4.288 ( -3.147 4.260 -10.120) 11.422 4.472 ( 10.852 9.586 -8.383) 16.731 4.643 ( 2.492 5.471 -9.523) 11.262 4.762 ( 5.678 2.999 -13.904) 15.315 4.839 ( -12.473 -4.660 -10.512) 16.965 5.223 ( 8.534 -1.061 0.465) 8.612 5.267 ( 15.297 -4.700 0.875) 16.027 5.338 ( -9.440 -6.666 -10.043) 15.311 5.503 ( 3.809 -6.705 -3.236) 8.362 5.622 ( -5.142 -0.191 -9.475) 10.782 5.886 ( -4.364 -3.511 -3.010) 6.359 5.919 ( 8.054 -4.509 -1.354) 9.329 6.538 ( 0.288 4.156 -3.573) 5.488 6.643 ( -6.742 2.450 -9.096) 11.584 6.733 ( 2.075 0.924 -4.863) 5.367 6.920 ( 0.317 2.649 -7.839) 8.280 6.982 ( 1.838 3.899 2.933) 5.214 7.136 ( -3.400 1.789 -10.094) 10.800 7.742 ( -0.773 -0.351 -2.496) 2.637 7.764 ( -3.100 2.163 -4.135) 5.603 8.060 ( 0.875 -17.886 3.148) 18.182 8.303 ( 4.579 -0.349 8.687) 9.826 8.618 ( 3.683 -1.514 3.697) 5.434 8.707 ( 1.085 -11.043 -0.626) 11.113 8.894 ( 3.784 3.390 2.174) 5.526 9.167 ( 0.622 -1.857 -9.395) 9.597 9.314 ( -1.593 5.139 -2.220) 5.820 9.627 ( 2.666 -5.037 2.755) 6.330 10.139 ( 4.905 1.287 -0.452) 5.091 10.263 ( 1.872 -2.414 -4.278) 5.257 10.595 ( 1.464 0.070 3.919) 4.184 10.674 ( -1.393 1.321 -1.837) 2.657 11.042 ( -1.205 -2.515 -6.071) 6.681 11.092 ( 1.197 1.782 7.676) 7.971 11.267 ( -0.382 1.028 -1.991) 2.273 11.554 ( -0.282 5.247 -3.182) 6.143 11.647 ( -8.018 -8.455 2.704) 11.962 11.739 ( 0.925 -1.785 -4.930) 5.324 12.167 ( -3.149 7.027 -2.127) 7.989 12.269 ( -3.216 4.767 -7.159) 9.182 12.335 ( 8.785 -0.253 -5.376) 10.302 12.792 ( 5.160 -8.518 -11.166) 14.962 12.854 ( -1.328 9.947 1.361) 10.128 13.219 ( 4.024 9.126 -8.593) 13.165 13.458 ( 3.642 -3.378 2.132) 5.405 13.530 ( 3.409 -2.336 7.146) 8.255 13.795 ( -0.140 2.203 7.797) 8.103 13.854 ( -0.156 3.352 2.468) 4.165 14.038 ( 0.751 3.537 4.429) 5.717 14.191 ( -7.198 -1.766 15.117) 16.836 14.364 ( -3.770 3.536 10.591) 11.785 14.483 ( 1.255 4.030 2.041) 4.688 14.500 ( 1.748 0.252 -1.823) 2.538 14.949 ( -5.985 3.091 4.333) 8.009 15.105 ( -1.142 -4.453 5.728) 7.344 15.329 ( -3.294 -4.560 6.126) 8.316 15.373 ( -7.532 -13.555 3.203) 15.834 15.576 ( -0.726 4.533 2.916) 5.439 15.662 ( -2.309 0.990 -0.060) 2.513 15.706 ( 0.397 -2.607 2.740) 3.803 16.018 ( -1.059 0.251 9.958) 10.017 16.068 ( 3.596 -3.987 8.712) 10.233 16.206 ( -1.158 -9.972 -1.800) 10.200 16.340 ( 8.010 -0.483 13.318) 15.549 16.541 ( -0.438 3.483 -0.186) 3.516 16.616 ( -1.440 8.642 -4.825) 10.002 16.769 ( 2.878 5.472 -2.961) 6.855 16.989 ( -0.219 -0.151 11.874) 11.877 17.249 ( -7.156 -2.365 -7.838) 10.873 17.405 ( -4.516 -1.536 -7.148) 8.593 17.659 ( -5.109 4.634 2.566) 7.359 17.892 ( -1.516 -2.783 8.729) 9.286 18.164 ( 1.131 1.859 -11.023) 11.236 18.424 ( 8.485 -3.425 -1.706) 9.308 18.722 ( 1.566 -0.250 -8.068) 8.222 18.808 ( -4.285 -0.139 -9.424) 10.353 24.910 ( -0.671 0.100 -0.614) 0.915 24.947 ( -1.227 0.639 0.299) 1.416 25.081 ( -3.614 1.289 1.196) 4.020 25.277 ( 3.362 -2.874 0.408) 4.442 26.361 ( -4.376 0.407 -2.008) 4.832 26.370 ( -3.288 -0.163 -0.656) 3.357 26.560 ( 5.282 2.129 -0.873) 5.761 26.692 ( 4.853 -1.056 -7.558) 9.044 26.942 ( 0.393 1.708 -1.643) 2.402 27.058 ( -5.216 0.999 -5.055) 7.332 27.319 ( -5.326 -0.170 -4.375) 6.894 27.539 ( -5.259 -3.588 -9.393) 11.347 28.027 ( -8.391 6.204 5.559) 11.824 28.315 ( 13.680 0.214 5.242) 14.651 28.795 ( -10.078 -2.105 3.691) 10.937 28.880 ( 14.068 -2.494 8.566) 16.658 ======================= Grid point 151 (82/159) ======================= q-point: (-0.38 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -7.064 6.289 6.684) 11.581 3.336 ( -22.747 7.856 -4.274) 24.442 3.623 ( -22.892 9.844 1.037) 24.941 3.762 ( 4.704 1.876 -5.625) 7.569 4.108 ( -7.312 -7.082 -0.571) 10.196 4.428 ( -15.075 -6.912 -6.251) 17.723 4.575 ( 8.693 -0.887 -6.247) 10.742 4.605 ( 9.990 15.695 -7.562) 20.082 4.824 ( 3.021 8.928 -6.897) 11.679 5.032 ( -7.386 -1.642 -11.513) 13.777 5.220 ( -13.074 3.861 -10.183) 17.016 5.462 ( 13.532 -7.487 -9.402) 18.099 5.598 ( 22.655 -1.079 6.197) 23.512 5.727 ( 10.780 -11.589 0.919) 15.854 5.920 ( 6.123 1.652 5.009) 8.082 6.068 ( 3.420 2.474 2.569) 4.942 6.394 ( -0.804 4.892 -3.062) 5.827 6.444 ( -0.548 3.395 -7.505) 8.255 6.649 ( -2.549 1.574 0.606) 3.057 6.752 ( -0.383 -0.627 -17.077) 17.092 6.959 ( -5.986 9.017 -5.085) 11.958 7.202 ( 14.747 0.246 5.671) 15.802 7.602 ( -1.974 -16.890 -7.201) 18.467 7.759 ( 2.833 -1.467 -4.377) 5.416 8.163 ( -0.404 -11.226 8.260) 13.944 8.526 ( 9.553 -5.463 6.622) 12.843 8.721 ( 6.741 -7.579 -1.952) 10.330 8.776 ( 5.017 -7.267 5.141) 10.218 8.981 ( 2.329 0.026 3.124) 3.897 9.100 ( 6.423 5.609 -7.650) 11.456 9.307 ( 3.926 -0.102 -2.832) 4.842 9.710 ( 3.529 -4.754 1.851) 6.203 10.295 ( 11.151 -2.448 4.402) 12.236 10.316 ( 8.164 -6.286 -1.966) 10.490 10.603 ( -2.353 3.967 -1.085) 4.738 10.679 ( 3.027 1.955 -0.057) 3.604 11.001 ( 1.205 -1.125 1.939) 2.545 11.137 ( -4.554 6.563 6.725) 10.442 11.233 ( 0.781 -4.105 -4.315) 6.007 11.506 ( 0.849 -0.604 -2.004) 2.259 11.667 ( 0.073 0.917 5.662) 5.737 11.725 ( 0.075 0.740 1.192) 1.405 12.103 ( 0.515 7.877 -5.520) 9.632 12.190 ( 0.588 6.443 0.056) 6.470 12.375 ( 7.085 -0.551 -9.138) 11.576 12.712 ( 5.652 1.843 -11.086) 12.580 12.806 ( -3.947 5.956 -3.128) 7.799 13.228 ( 6.884 4.181 -5.681) 9.856 13.530 ( 1.092 -0.012 0.393) 1.161 13.592 ( 4.416 -0.236 -3.732) 5.787 13.799 ( -3.171 -2.233 -1.498) 4.158 13.875 ( -4.732 1.475 6.135) 7.887 14.120 ( -7.041 5.128 9.770) 13.089 14.271 ( -2.622 -3.652 11.182) 12.051 14.390 ( -4.473 3.385 5.948) 8.176 14.492 ( -7.170 1.472 8.089) 10.910 14.578 ( 2.889 -0.896 4.561) 5.472 14.867 ( -9.300 9.314 1.906) 13.299 15.085 ( -8.545 -3.528 5.463) 10.739 15.261 ( -7.782 -7.966 0.804) 11.165 15.300 ( -7.700 -9.571 3.277) 12.713 15.578 ( -7.062 -4.124 0.426) 8.188 15.598 ( -5.332 1.827 4.617) 7.286 15.724 ( 3.169 -1.303 -0.935) 3.552 16.077 ( -7.871 3.106 8.993) 12.349 16.158 ( 4.921 -3.887 -7.928) 10.108 16.221 ( 1.319 -6.839 2.756) 7.490 16.420 ( -2.030 7.325 -9.067) 11.832 16.518 ( -0.819 3.520 8.535) 9.269 16.720 ( 3.378 -2.348 11.721) 12.422 16.828 ( 5.508 4.269 2.347) 7.353 16.927 ( -6.528 -3.570 -8.416) 11.233 17.209 ( -1.861 -0.669 9.770) 9.968 17.311 ( -2.630 -1.819 0.771) 3.290 17.578 ( -7.132 6.523 0.024) 9.665 17.875 ( -7.069 -2.173 -3.615) 8.232 18.108 ( 0.567 1.716 2.883) 3.402 18.458 ( -4.208 -4.984 -7.762) 10.139 18.617 ( 5.219 1.391 -5.374) 7.620 18.693 ( 3.142 0.051 -10.987) 11.428 24.880 ( -2.339 -0.817 -0.301) 2.495 24.924 ( -3.441 -0.689 1.415) 3.784 25.041 ( -2.465 3.837 0.184) 4.564 25.321 ( 1.722 -3.331 0.112) 3.752 26.251 ( -6.092 0.918 -2.047) 6.492 26.286 ( -5.820 -0.090 -1.274) 5.958 26.639 ( 6.407 0.263 -3.214) 7.173 26.677 ( 3.422 -0.571 -5.003) 6.088 26.868 ( -6.056 1.123 -1.981) 6.471 26.981 ( -1.367 1.982 0.173) 2.414 27.190 ( -6.577 -1.797 -0.566) 6.842 27.359 ( -5.247 -2.038 -6.488) 8.589 27.957 ( -7.640 5.428 3.243) 9.917 28.461 ( -4.600 -8.112 -0.415) 9.335 28.760 ( 6.410 9.334 2.910) 11.691 29.218 ( 16.515 -4.139 7.529) 18.616 ======================= Grid point 152 (83/159) ======================= q-point: (-0.31 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -36.353 12.499 -2.640) 38.532 2.843 ( -33.442 12.902 3.096) 35.978 3.400 ( -4.639 -3.444 -1.887) 6.078 3.630 ( -11.371 -3.940 -6.581) 13.716 4.038 ( -5.408 2.729 0.569) 6.085 4.196 ( -14.252 -1.886 0.458) 14.384 4.430 ( -14.933 14.471 -11.186) 23.612 4.624 ( -0.889 4.018 -8.015) 9.010 4.645 ( -15.339 14.498 -7.177) 22.293 4.806 ( 1.909 11.065 -2.883) 11.592 5.129 ( 9.776 -6.383 -0.502) 11.686 5.527 ( 13.510 -7.434 -9.060) 17.885 5.747 ( 0.685 -10.574 -6.274) 12.314 6.030 ( 1.866 -4.369 -7.423) 8.813 6.103 ( 22.655 -8.986 15.822) 29.057 6.138 ( 6.390 5.788 0.945) 8.673 6.430 ( 11.315 3.059 1.098) 11.772 6.528 ( -1.183 -4.311 -5.704) 7.247 6.620 ( 5.585 -1.212 0.890) 5.784 6.790 ( 12.120 8.969 6.268) 16.329 6.945 ( 12.866 11.710 5.410) 18.219 7.471 ( -3.937 -19.921 -7.534) 21.658 7.546 ( 19.475 -5.955 3.082) 20.597 7.765 ( 8.116 -4.599 -6.797) 11.542 8.250 ( 4.685 -3.894 4.859) 7.792 8.707 ( 8.335 -15.815 0.610) 17.887 8.831 ( 4.043 -4.123 1.526) 5.973 8.884 ( 9.556 -2.738 -0.709) 9.966 9.087 ( 6.809 -3.163 1.780) 7.716 9.169 ( 7.574 4.819 0.203) 8.979 9.368 ( 7.734 -2.775 -1.275) 8.315 9.767 ( 5.181 -3.704 -3.076) 7.073 10.332 ( -3.623 -6.419 -3.457) 8.141 10.450 ( -3.649 -4.553 2.364) 6.295 10.655 ( 7.536 5.517 7.558) 12.014 10.807 ( 15.454 9.575 0.814) 18.198 11.072 ( -1.872 -0.057 6.361) 6.631 11.189 ( 2.027 3.300 6.067) 7.198 11.256 ( 4.581 -1.207 3.815) 6.082 11.522 ( 3.191 1.305 -1.485) 3.753 11.723 ( 1.066 0.270 2.772) 2.982 11.757 ( 0.039 0.355 3.715) 3.733 12.046 ( 1.512 8.053 -5.885) 10.088 12.240 ( 1.158 -1.219 -1.880) 2.522 12.382 ( 5.573 6.558 -1.123) 8.679 12.671 ( -8.265 15.009 0.835) 17.154 12.731 ( 10.243 -3.310 -11.229) 15.555 13.256 ( 5.703 -2.061 -6.371) 8.796 13.471 ( -0.937 5.181 -7.384) 9.069 13.618 ( 3.915 -5.852 -3.583) 7.900 13.707 ( -5.236 -3.736 -2.080) 6.760 13.866 ( -4.597 5.083 5.096) 8.540 14.016 ( -9.214 3.247 -3.646) 10.427 14.280 ( -5.311 1.811 -0.118) 5.612 14.368 ( -16.069 -3.202 6.567) 17.652 14.455 ( -2.367 0.614 4.811) 5.397 14.646 ( -8.779 4.355 5.762) 11.368 14.737 ( -5.911 7.065 3.230) 9.761 15.017 ( -10.139 -6.180 7.378) 13.980 15.167 ( -5.836 -11.094 1.024) 12.577 15.249 ( -5.711 -10.356 8.147) 14.361 15.395 ( -10.783 -6.772 -5.830) 14.004 15.548 ( -6.475 -1.612 1.834) 6.920 15.774 ( 2.548 -2.495 -3.040) 4.686 16.008 ( -8.161 12.665 -3.189) 15.401 16.142 ( -0.443 -1.182 0.848) 1.521 16.189 ( 0.628 1.252 -0.034) 1.401 16.335 ( 0.928 7.207 -3.650) 8.132 16.567 ( -5.448 -0.473 3.226) 6.349 16.687 ( -2.256 -2.577 -4.328) 5.519 16.970 ( -2.934 0.288 14.958) 15.246 16.997 ( 9.468 -3.169 2.999) 10.425 17.242 ( -5.273 -0.773 5.221) 7.461 17.314 ( -3.291 -2.865 5.869) 7.313 17.472 ( -3.449 5.675 -1.786) 6.877 17.665 ( -8.461 0.990 -8.742) 12.206 18.117 ( -7.024 -1.221 -4.720) 8.550 18.277 ( -4.111 1.548 4.031) 5.962 18.571 ( 1.198 0.604 -15.068) 15.128 18.733 ( 10.550 -3.075 -0.374) 10.996 24.833 ( -3.378 -1.254 -0.063) 3.604 24.873 ( -5.409 -2.153 1.739) 6.076 25.012 ( -1.467 5.652 -0.170) 5.842 25.331 ( -0.247 -3.393 -0.294) 3.415 26.137 ( -6.411 0.996 -0.596) 6.515 26.179 ( -6.484 -0.120 0.367) 6.496 26.611 ( 0.414 -0.879 -7.739) 7.800 26.665 ( -1.472 -1.780 -4.299) 4.880 26.785 ( -2.853 4.522 0.938) 5.429 26.987 ( -0.770 -0.301 3.870) 3.957 27.140 ( -3.636 -2.895 5.820) 7.448 27.229 ( -4.159 -1.313 -2.235) 4.901 27.864 ( -7.680 2.360 0.480) 8.048 28.245 ( -15.849 -6.193 -4.485) 17.597 28.970 ( 15.185 12.896 -0.636) 19.932 29.565 ( 18.439 -4.622 4.723) 19.587 ======================= Grid point 153 (84/159) ======================= q-point: (-0.23 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -38.253 17.959 2.744) 42.348 2.298 ( -40.896 13.969 4.209) 43.420 3.296 ( -13.174 -14.729 3.119) 20.006 3.373 ( -13.394 -14.567 0.409) 19.793 3.484 ( -49.363 25.902 -0.760) 55.751 4.165 ( 7.969 21.935 -1.286) 23.373 4.250 ( -9.218 6.054 0.477) 11.038 4.349 ( -4.782 9.875 4.473) 11.849 4.683 ( 1.599 7.351 4.452) 8.742 4.832 ( -0.030 4.302 -0.901) 4.396 5.224 ( 2.567 -8.068 2.731) 8.897 5.600 ( -4.991 -1.350 -2.655) 5.812 5.785 ( 23.729 -17.784 -7.170) 30.508 5.894 ( -6.538 -4.966 -4.871) 9.547 6.197 ( 1.385 0.534 -2.780) 3.151 6.350 ( 6.494 -0.093 -10.399) 12.260 6.584 ( 13.381 -8.394 7.845) 17.637 6.791 ( 12.088 -2.960 6.864) 14.212 6.839 ( 19.461 -3.367 6.984) 20.949 7.004 ( 10.090 5.188 -0.091) 11.346 7.281 ( -0.972 -13.153 -5.400) 14.251 7.385 ( 21.170 2.503 7.782) 22.694 7.758 ( 6.655 -4.714 0.960) 8.212 7.918 ( 19.731 -5.026 -4.414) 20.834 8.510 ( 15.264 -2.517 8.682) 17.740 8.839 ( 8.672 -6.463 0.036) 10.815 8.890 ( 6.638 -3.198 -1.030) 7.440 9.069 ( 11.354 -1.587 -0.207) 11.466 9.219 ( 9.127 -7.265 1.098) 11.717 9.322 ( 11.608 -2.945 1.582) 12.080 9.513 ( 11.873 -2.443 -0.281) 12.125 9.819 ( 9.322 -4.547 -5.599) 11.786 10.192 ( -8.501 -0.550 -2.683) 8.932 10.335 ( -10.103 1.980 1.325) 10.380 10.836 ( -1.711 1.310 7.850) 8.141 11.032 ( 6.593 13.195 2.858) 15.025 11.157 ( 9.148 3.296 2.795) 10.117 11.279 ( 2.435 0.999 0.486) 2.676 11.447 ( 4.281 -4.411 11.115) 12.701 11.526 ( -2.166 6.932 -0.336) 7.271 11.805 ( 4.336 -3.816 3.458) 6.732 11.812 ( 0.798 -1.975 4.867) 5.313 12.013 ( 5.607 4.623 -8.524) 11.201 12.181 ( -1.941 -1.278 -3.307) 4.042 12.394 ( -7.568 10.769 0.285) 13.166 12.601 ( 0.677 9.130 1.377) 9.258 12.740 ( 0.638 -2.388 -5.201) 5.758 13.221 ( -1.593 -6.023 -7.645) 9.862 13.403 ( 1.555 2.579 -2.995) 4.247 13.604 ( -0.106 -0.725 -3.212) 3.295 13.653 ( 4.245 -3.676 -2.204) 6.033 13.744 ( -11.863 -6.422 -7.958) 15.662 13.888 ( -0.514 9.926 -1.412) 10.039 14.103 ( -13.883 3.128 -3.581) 14.674 14.226 ( -5.976 5.409 3.216) 8.679 14.275 ( -21.318 -1.967 -5.323) 22.060 14.554 ( -3.745 1.539 3.424) 5.303 14.770 ( -4.220 4.515 6.790) 9.181 14.956 ( -5.224 -9.704 2.935) 11.405 15.082 ( -4.438 -14.503 -3.004) 15.462 15.159 ( -10.353 0.171 -2.519) 10.656 15.297 ( -4.701 -10.111 3.765) 11.769 15.456 ( -5.678 -3.602 5.564) 8.728 15.743 ( -9.804 9.340 -5.826) 14.741 15.754 ( -0.709 -4.056 -8.159) 9.139 16.046 ( -1.623 -2.111 -7.213) 7.689 16.303 ( 0.709 0.234 -0.568) 0.938 16.393 ( 1.585 2.363 0.825) 2.962 16.552 ( 3.187 9.899 12.355) 16.150 16.651 ( 1.714 2.275 -3.096) 4.207 16.878 ( -13.761 -2.683 -2.629) 14.265 17.168 ( -1.201 -6.501 2.831) 7.192 17.220 ( -3.062 5.820 1.786) 6.814 17.322 ( -6.463 -1.597 6.410) 9.242 17.439 ( -7.584 -1.039 2.583) 8.079 17.501 ( 3.745 -0.923 -0.031) 3.857 17.916 ( -2.799 9.261 -4.835) 10.816 18.308 ( -3.135 -2.057 -6.062) 7.128 18.407 ( -2.833 4.214 1.501) 5.295 18.916 ( 12.266 -4.839 1.227) 13.243 24.775 ( -4.017 -1.202 0.012) 4.193 24.810 ( -5.145 -2.540 1.762) 6.002 24.985 ( -1.818 5.836 -0.301) 6.120 25.309 ( -1.961 -3.290 -0.483) 3.860 26.042 ( -6.278 1.329 1.168) 6.523 26.128 ( -4.404 -0.757 6.667) 8.026 26.493 ( -3.708 -0.679 -6.887) 7.851 26.564 ( -4.327 -2.708 -2.445) 5.659 26.749 ( -1.693 4.766 -2.153) 5.497 27.042 ( -1.154 -4.072 3.755) 5.658 27.149 ( -1.781 0.800 5.691) 6.016 27.251 ( -0.276 -3.005 10.036) 10.480 27.719 ( -10.745 -4.621 -1.492) 11.791 27.904 ( -18.522 -4.339 -6.866) 20.224 29.178 ( 17.269 20.089 -6.656) 27.315 29.885 ( 18.737 -4.333 -0.212) 19.232 ======================= Grid point 154 (85/159) ======================= q-point: (-0.15 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -37.995 19.439 8.290) 43.477 1.760 ( -34.569 22.929 14.380) 43.904 2.848 ( -47.831 37.218 29.465) 67.388 3.107 ( -18.270 -15.093 9.926) 25.692 3.316 ( -4.532 -28.686 6.560) 29.774 4.110 ( -7.974 15.202 6.455) 18.340 4.287 ( 7.795 14.622 0.552) 16.579 4.561 ( 9.622 13.411 14.373) 21.886 4.737 ( -2.172 11.304 4.948) 12.529 4.802 ( -5.341 1.277 7.226) 9.076 5.261 ( -3.664 -6.957 0.622) 7.888 5.479 ( -2.822 -6.408 -3.031) 7.630 5.765 ( -7.070 -7.624 2.871) 10.787 6.093 ( 9.046 -10.412 -2.386) 13.997 6.185 ( 20.553 -12.083 -6.469) 24.704 6.454 ( 10.144 5.003 -6.313) 12.953 6.651 ( 0.240 -3.440 -8.943) 9.585 6.853 ( -7.952 -5.186 7.257) 11.950 7.095 ( 9.513 -6.475 5.474) 12.744 7.240 ( 14.828 -9.925 -0.189) 17.844 7.461 ( 22.747 -3.535 3.805) 23.333 7.738 ( 14.440 -11.947 0.062) 18.741 7.908 ( 13.132 4.796 0.402) 13.986 8.269 ( 20.726 4.284 7.839) 22.569 8.747 ( 4.531 -5.351 5.136) 8.692 8.931 ( 3.921 -0.809 -0.987) 4.123 9.002 ( 7.967 0.957 -4.093) 9.007 9.120 ( 1.543 3.590 -8.089) 8.983 9.457 ( 16.221 -14.922 0.782) 22.055 9.565 ( 9.739 -5.500 6.517) 12.945 9.745 ( 17.350 -2.191 1.025) 17.518 9.922 ( 9.812 -8.420 -4.537) 13.702 10.026 ( -6.783 7.005 -1.602) 9.881 10.248 ( 0.991 0.128 -1.455) 1.765 10.800 ( -8.716 4.193 3.118) 10.162 10.998 ( -13.117 12.532 -6.192) 19.169 11.267 ( -0.161 8.773 0.691) 8.801 11.342 ( 8.343 3.546 2.468) 9.395 11.491 ( 2.183 3.635 1.514) 4.503 11.616 ( 0.775 -5.134 6.671) 8.454 11.837 ( -2.518 -1.449 2.727) 3.984 11.913 ( 0.781 -5.941 3.169) 6.779 11.988 ( 5.225 -1.605 -12.761) 13.882 12.126 ( -1.895 -2.255 -2.895) 4.130 12.285 ( -5.383 5.470 1.686) 7.858 12.577 ( -8.257 -0.240 -3.505) 8.973 12.655 ( -6.634 1.502 3.347) 7.581 12.910 ( -18.287 -2.083 -14.047) 23.153 13.403 ( -2.840 1.954 1.325) 3.693 13.496 ( -9.212 -0.862 -6.386) 11.242 13.592 ( 1.747 -6.301 -4.120) 7.728 13.727 ( 3.396 4.694 -4.754) 7.494 13.815 ( -6.700 3.856 -0.193) 7.733 13.904 ( -6.908 -1.915 2.645) 7.641 13.945 ( -4.339 5.346 1.726) 7.098 14.255 ( 3.337 9.492 2.263) 10.313 14.520 ( -1.604 -2.542 -2.808) 4.114 14.701 ( -11.332 -1.100 1.269) 11.456 14.916 ( -7.975 0.655 -4.782) 9.322 14.944 ( -2.091 -4.765 0.899) 5.280 15.040 ( -4.021 -5.911 -0.831) 7.197 15.198 ( 0.057 -3.915 -4.717) 6.130 15.442 ( -7.252 -0.383 -5.103) 8.876 15.585 ( -0.680 -3.786 6.292) 7.375 15.676 ( -6.812 -6.929 -4.113) 10.552 15.958 ( 0.812 -4.172 -5.374) 6.852 16.285 ( -2.579 -5.457 -2.397) 6.495 16.353 ( 0.855 1.287 -8.038) 8.185 16.460 ( -3.159 9.242 -10.258) 14.164 16.618 ( -9.568 -3.922 -5.451) 11.689 16.920 ( 4.886 4.073 9.785) 11.671 16.959 ( -3.873 8.388 -6.425) 11.254 17.233 ( -7.944 -1.101 1.086) 8.093 17.262 ( -12.518 -1.703 3.287) 13.054 17.351 ( -3.238 -5.832 2.575) 7.151 17.584 ( 4.935 -3.303 -0.993) 6.021 18.099 ( -0.126 3.130 2.094) 3.769 18.149 ( 15.798 25.694 8.762) 31.409 18.488 ( -3.051 -6.244 14.950) 16.487 19.121 ( 11.914 -4.796 0.582) 12.856 24.716 ( -3.337 -0.833 -0.127) 3.442 24.763 ( -4.040 -2.611 2.447) 5.396 24.947 ( -2.246 5.624 -0.553) 6.081 25.263 ( -2.847 -3.172 -0.626) 4.308 25.969 ( -5.600 1.929 1.920) 6.226 26.224 ( 0.724 -5.300 10.537) 11.817 26.367 ( -2.075 1.316 -2.346) 3.398 26.491 ( -3.102 -2.630 -0.191) 4.071 26.689 ( -1.542 2.447 -2.991) 4.161 27.001 ( -5.335 -8.660 0.120) 10.172 27.233 ( -4.773 1.773 4.694) 6.926 27.359 ( -5.192 -1.419 7.541) 9.265 27.507 ( -14.398 -13.321 4.602) 20.147 27.600 ( -8.777 -3.431 2.870) 9.851 29.333 ( 19.599 30.762 -15.442) 39.609 30.105 ( 14.877 -3.525 -8.032) 17.271 ======================= Grid point 155 (86/159) ======================= q-point: (-0.08 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -16.927 19.846 29.300) 39.228 1.655 ( -14.696 23.022 34.054) 43.654 2.743 ( -27.812 37.733 49.213) 67.965 3.007 ( -12.267 -15.268 13.936) 24.038 3.383 ( -1.314 -29.228 11.682) 31.504 4.171 ( -1.529 11.423 14.750) 18.718 4.441 ( 8.236 5.330 3.732) 10.496 4.728 ( -4.486 14.094 6.052) 15.981 4.861 ( 1.158 5.271 13.833) 14.848 4.949 ( 8.460 14.534 11.927) 20.617 5.138 ( -9.783 -2.360 3.417) 10.628 5.456 ( 6.310 -7.035 -8.563) 12.752 5.758 ( -4.942 -15.976 12.461) 20.855 6.111 ( 3.419 -7.398 -4.512) 9.315 6.186 ( -2.770 -3.083 -22.952) 23.323 6.591 ( 13.895 -15.351 8.019) 22.204 6.743 ( 7.413 7.602 4.677) 11.602 6.877 ( 0.647 -4.256 11.016) 11.827 7.331 ( 7.162 -10.336 8.028) 14.920 7.434 ( 8.764 -3.638 1.815) 9.661 7.763 ( 12.846 -1.777 -4.174) 13.623 7.871 ( 6.677 -6.299 -2.296) 9.462 8.114 ( 12.637 -1.802 -2.098) 12.936 8.608 ( 9.891 1.635 3.787) 10.716 8.825 ( -0.541 2.243 2.916) 3.718 8.926 ( -2.534 1.749 -9.684) 10.161 8.978 ( 2.774 1.436 -5.245) 6.104 9.025 ( 0.233 5.686 -6.871) 8.921 9.458 ( -13.609 -13.871 -4.348) 19.913 9.746 ( -2.131 -4.045 0.454) 4.594 9.806 ( -6.554 7.959 4.389) 11.206 9.941 ( 10.502 -16.145 -4.348) 19.745 10.169 ( 14.896 -1.886 -0.216) 15.016 10.346 ( 13.113 0.387 -6.610) 14.690 10.639 ( -10.410 15.227 -1.004) 18.472 10.805 ( 2.061 6.819 1.730) 7.331 11.260 ( -1.970 8.473 -1.079) 8.766 11.420 ( -5.214 -0.234 3.927) 6.531 11.559 ( 4.174 0.761 0.822) 4.321 11.687 ( -0.520 -5.704 4.255) 7.135 11.747 ( -10.998 -2.352 -4.135) 11.983 11.831 ( -1.809 -1.630 -0.246) 2.448 11.966 ( -9.218 -1.233 -2.676) 9.677 12.043 ( 10.063 1.968 -6.394) 12.084 12.264 ( -14.899 5.440 -7.747) 17.652 12.308 ( 3.448 5.121 2.893) 6.818 12.513 ( -1.496 -1.759 -3.768) 4.420 12.728 ( -10.036 -5.116 5.834) 12.685 13.159 ( -13.120 -6.159 -8.562) 16.834 13.383 ( -2.195 2.410 2.139) 3.899 13.545 ( -2.513 -6.134 -1.227) 6.741 13.612 ( -12.013 15.614 -3.524) 20.013 13.831 ( 4.960 -1.656 4.999) 7.234 13.977 ( 9.375 2.511 -0.989) 9.755 14.062 ( 5.482 -0.219 5.522) 7.784 14.299 ( 1.026 5.627 -2.632) 6.297 14.462 ( -5.899 1.489 -7.458) 9.625 14.558 ( 3.895 5.371 2.752) 7.183 14.803 ( -3.473 2.150 0.327) 4.097 14.856 ( -4.016 0.401 0.428) 4.059 15.096 ( 2.322 -10.080 7.127) 12.562 15.135 ( 1.804 -0.207 -14.135) 14.251 15.280 ( -9.879 -13.187 -2.267) 16.632 15.385 ( -11.653 -1.651 -9.357) 15.036 15.641 ( -1.100 -5.058 -1.164) 5.306 15.915 ( 1.700 -9.207 -6.465) 11.377 16.063 ( -5.410 6.938 -5.961) 10.627 16.344 ( 3.065 2.881 0.560) 4.243 16.470 ( -2.848 -3.493 -3.343) 5.612 16.500 ( 4.728 4.792 3.649) 7.657 16.793 ( -2.657 11.799 -7.235) 14.094 17.053 ( -10.275 -1.373 -2.263) 10.610 17.083 ( -1.812 0.295 1.368) 2.289 17.100 ( -2.828 0.682 0.734) 3.000 17.364 ( -1.556 -6.112 3.838) 7.383 17.625 ( 1.173 -1.989 -0.133) 2.313 18.090 ( -0.560 11.492 6.871) 13.401 18.452 ( -1.039 6.871 6.956) 9.832 18.867 ( 22.851 -7.642 12.491) 27.140 19.267 ( 7.266 -3.155 -1.975) 8.164 24.676 ( -1.740 -0.298 0.401) 1.810 24.749 ( -2.009 -2.827 2.939) 4.546 24.908 ( -1.631 5.476 -0.497) 5.735 25.213 ( -2.171 -3.076 -0.947) 3.882 25.918 ( -3.706 2.103 1.616) 4.557 26.202 ( -1.185 -3.552 -5.772) 6.880 26.422 ( -2.734 0.406 -0.349) 2.786 26.505 ( 1.005 -2.129 4.346) 4.942 26.641 ( -0.216 -0.905 -2.514) 2.680 26.892 ( -10.577 -16.544 4.122) 20.064 27.048 ( -8.447 0.411 -4.657) 9.655 27.197 ( -10.219 -9.434 3.775) 14.411 27.591 ( -2.453 -3.353 19.276) 19.719 27.773 ( 4.772 -3.366 20.309) 21.132 29.385 ( 16.575 35.649 -23.159) 45.628 30.118 ( 5.218 -2.198 -15.432) 16.438 ======================= Grid point 156 (87/159) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -1.879 23.905 23.771) 33.765 2.449 ( 1.474 21.033 30.590) 37.152 2.608 ( -3.027 -21.747 17.638) 28.164 2.996 ( 0.320 -29.048 23.026) 37.068 4.055 ( 4.026 41.984 41.498) 59.169 4.317 ( 0.734 3.763 -9.601) 10.339 4.466 ( 1.157 -7.353 -13.720) 15.609 4.792 ( -6.015 -20.280 22.895) 31.171 5.110 ( -0.193 6.725 7.677) 10.208 5.212 ( -0.921 -2.301 -5.073) 5.646 5.281 ( 0.955 14.568 -7.187) 16.272 5.416 ( 7.334 11.430 8.815) 16.190 5.563 ( -2.241 -15.759 12.633) 20.322 5.830 ( 1.290 -25.017 8.525) 26.461 6.211 ( 1.819 19.322 12.564) 23.120 6.592 ( 6.504 -18.578 11.632) 22.864 7.061 ( -3.885 17.678 4.931) 18.760 7.146 ( -2.277 6.915 11.100) 13.274 7.302 ( 5.240 -5.874 5.185) 9.426 7.410 ( 3.336 -11.943 0.999) 12.440 7.725 ( 2.776 -0.956 -3.461) 4.538 7.800 ( 5.026 -9.713 1.591) 11.052 8.342 ( 2.701 9.614 -3.237) 10.497 8.494 ( -6.710 -6.241 -3.463) 9.796 8.760 ( -12.164 5.723 -7.748) 15.516 8.856 ( -14.413 -3.736 -5.017) 15.712 9.062 ( -3.582 8.581 -1.401) 9.403 9.109 ( -2.313 0.566 0.920) 2.553 9.133 ( 6.527 5.413 -3.892) 9.330 9.364 ( -1.813 -13.251 -6.845) 15.024 9.821 ( -1.325 1.833 -0.623) 2.346 9.917 ( 6.025 -10.007 0.020) 11.681 10.336 ( 4.524 5.448 -0.854) 7.132 10.402 ( 2.211 0.013 -4.597) 5.101 10.852 ( 4.094 7.894 2.995) 9.384 10.976 ( 6.240 -3.186 1.192) 7.107 11.267 ( -10.653 3.938 -1.948) 11.523 11.295 ( -10.073 -0.747 3.406) 10.660 11.456 ( -11.765 -0.196 -4.928) 12.757 11.515 ( -6.953 -8.020 4.162) 11.401 11.726 ( 1.106 3.149 1.178) 3.539 11.753 ( -1.313 0.349 -0.658) 1.510 11.959 ( 3.231 7.166 -8.175) 11.341 12.086 ( 4.270 -5.324 -9.269) 11.511 12.216 ( -0.366 7.716 -1.719) 7.913 12.341 ( 5.167 -4.084 -4.469) 7.959 12.484 ( 3.227 -0.289 -0.355) 3.259 12.547 ( 2.816 -6.854 -0.541) 7.430 13.045 ( 2.121 6.800 -2.529) 7.559 13.206 ( -3.021 -8.052 -5.530) 10.225 13.606 ( 1.488 11.149 2.780) 11.586 13.748 ( 5.032 2.285 -3.399) 6.488 13.910 ( 2.325 1.475 -0.619) 2.822 14.066 ( 1.509 -6.506 -7.156) 9.789 14.144 ( 2.525 7.420 2.011) 8.092 14.345 ( -0.458 -9.211 5.727) 10.856 14.441 ( 3.031 12.011 -0.164) 12.388 14.630 ( -1.595 -6.088 0.370) 6.304 14.787 ( -6.069 -0.973 -7.703) 9.855 14.840 ( 2.802 -6.010 -8.833) 11.045 14.979 ( 4.851 6.016 -6.711) 10.235 15.004 ( -2.090 5.055 -0.223) 5.474 15.059 ( 4.721 -4.992 5.626) 8.880 15.178 ( -0.696 -6.837 -3.114) 7.545 15.510 ( -3.776 0.182 0.663) 3.838 15.606 ( -4.261 -9.909 0.844) 10.820 16.262 ( -2.604 7.612 1.644) 8.212 16.324 ( -4.224 -0.752 -1.383) 4.508 16.545 ( 6.529 6.050 4.440) 9.947 16.627 ( 4.489 0.661 0.516) 4.567 16.802 ( -2.064 0.559 -3.660) 4.239 16.827 ( -6.470 -2.141 -5.586) 8.812 17.151 ( 5.338 1.003 3.140) 6.274 17.177 ( 5.172 -1.503 4.725) 7.165 17.359 ( -2.357 7.280 -2.304) 7.992 17.530 ( -0.755 -8.196 -2.481) 8.597 18.362 ( -1.524 7.560 8.895) 11.773 18.467 ( -5.331 -2.881 6.910) 9.190 19.102 ( 5.358 2.181 -1.024) 5.875 19.198 ( 1.135 -6.316 -2.688) 6.957 24.690 ( 0.356 1.273 2.292) 2.646 24.723 ( 0.194 -2.202 2.974) 3.705 24.998 ( 0.111 5.808 -0.685) 5.850 25.103 ( 0.035 -5.092 -1.371) 5.273 25.950 ( -1.405 3.624 0.887) 3.986 26.034 ( -2.054 -5.164 -1.007) 5.648 26.403 ( -1.627 3.409 -0.820) 3.865 26.455 ( -1.424 -1.771 -1.423) 2.681 26.629 ( 3.513 -0.265 2.753) 4.471 26.669 ( -0.201 -4.781 5.357) 7.183 26.948 ( -1.565 1.295 -1.362) 2.446 27.024 ( -3.663 -5.588 -0.656) 6.714 27.887 ( 1.459 6.554 21.499) 22.523 28.018 ( 3.885 -6.782 22.466) 23.787 29.682 ( 2.540 14.396 -24.906) 28.880 29.860 ( -0.658 -5.677 -21.521) 22.267 ======================= Grid point 157 (88/159) ======================= q-point: ( 0.08 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 7.427 17.450 26.739) 32.782 2.858 ( 10.473 -18.399 19.691) 28.913 2.912 ( 5.100 13.733 30.984) 34.273 3.306 ( 2.562 -22.426 24.634) 33.412 4.113 ( 3.147 -1.597 -20.953) 21.248 4.219 ( -0.058 -11.196 -24.249) 26.709 4.683 ( 8.193 23.443 21.674) 32.961 4.869 ( -5.302 1.352 -1.985) 5.821 5.055 ( 8.030 6.688 -13.374) 16.973 5.174 ( -5.314 12.040 9.094) 15.997 5.429 ( 9.898 -3.647 23.722) 25.961 5.627 ( -3.592 -12.369 11.446) 17.231 5.761 ( 5.313 3.579 17.584) 18.715 6.062 ( 1.808 -18.993 16.825) 25.438 6.345 ( -5.836 18.393 13.693) 23.661 6.700 ( -10.274 -17.352 7.224) 21.421 6.945 ( -6.881 9.808 0.928) 12.017 7.023 ( -15.879 -0.012 0.551) 15.889 7.399 ( 1.459 11.372 -0.786) 11.492 7.592 ( 3.126 -1.717 7.146) 7.986 7.687 ( -0.473 -2.779 -2.800) 3.973 7.745 ( -12.106 -1.785 -5.595) 13.455 8.099 ( -24.038 4.352 -1.158) 24.456 8.304 ( -13.434 -15.908 3.659) 21.141 8.642 ( 0.961 2.389 -3.952) 4.717 8.723 ( 6.729 -4.493 -0.756) 8.126 8.909 ( -10.276 10.004 -2.032) 14.484 9.035 ( -7.632 -3.741 -3.329) 9.128 9.170 ( 0.173 6.993 -1.318) 7.118 9.332 ( 1.065 -5.892 -1.619) 6.203 9.822 ( 2.210 5.427 1.046) 5.952 9.993 ( 3.411 -13.211 0.537) 13.655 10.299 ( -1.553 5.999 -4.171) 7.469 10.386 ( 2.529 -2.669 -3.180) 4.862 10.948 ( 2.461 4.742 0.810) 5.403 11.040 ( -0.675 -2.022 -1.034) 2.369 11.161 ( -1.906 5.025 -1.917) 5.706 11.178 ( -7.141 0.608 -2.695) 7.657 11.209 ( -13.264 1.890 5.522) 14.492 11.368 ( -13.625 -8.457 3.092) 16.332 11.694 ( -2.792 0.602 -1.495) 3.224 11.709 ( -1.144 -0.522 -2.668) 2.949 12.019 ( 8.341 7.174 -2.908) 11.380 12.124 ( 13.073 -3.187 -3.782) 13.978 12.236 ( 3.175 7.736 -1.619) 8.517 12.427 ( 7.781 -8.690 -3.157) 12.084 12.509 ( 6.104 3.494 -2.794) 7.568 12.634 ( 10.981 -8.451 -5.089) 14.762 13.024 ( -0.323 3.072 -6.187) 6.915 13.110 ( 0.990 -5.011 -7.135) 8.776 13.657 ( 3.609 11.513 -2.050) 12.238 13.830 ( 5.395 -5.102 -3.339) 8.141 13.961 ( 8.975 4.404 -0.523) 10.011 13.988 ( 3.172 4.385 -5.840) 7.962 14.177 ( -2.460 -0.143 -0.593) 2.534 14.311 ( -9.137 -11.784 1.315) 14.969 14.559 ( 6.903 6.206 0.971) 9.333 14.611 ( 3.796 3.814 -5.580) 7.752 14.706 ( 10.247 3.119 -5.473) 12.028 14.823 ( 11.719 -5.121 -5.663) 13.987 15.001 ( 3.167 -1.213 -3.730) 5.041 15.025 ( 3.504 -3.340 1.613) 5.102 15.172 ( -2.868 0.758 6.252) 6.920 15.230 ( -0.607 -3.366 8.145) 8.834 15.469 ( -2.512 1.201 2.783) 3.936 15.570 ( 0.565 -10.572 0.433) 10.596 16.202 ( -4.833 5.755 -0.863) 7.564 16.246 ( -4.167 0.654 -0.301) 4.229 16.544 ( -4.592 5.842 -3.679) 8.292 16.627 ( -6.053 -2.225 -4.433) 7.826 16.775 ( 8.188 8.771 2.779) 12.317 16.894 ( 10.167 -0.384 0.851) 10.209 17.230 ( -4.611 1.210 -3.189) 5.735 17.271 ( 0.659 -0.925 2.439) 2.690 17.364 ( 8.177 -0.225 3.170) 8.773 17.474 ( 0.462 -8.019 -3.023) 8.582 18.444 ( -2.525 3.181 8.607) 9.517 18.460 ( -4.982 1.769 7.163) 8.903 19.093 ( -2.455 0.671 -2.685) 3.699 19.147 ( -2.159 -4.521 -2.572) 5.632 24.742 ( 2.322 1.588 2.616) 3.841 24.777 ( 2.025 -1.921 2.865) 4.000 25.007 ( 1.679 4.843 -0.353) 5.138 25.099 ( 1.909 -4.613 -2.002) 5.379 25.969 ( 2.819 2.396 0.658) 3.758 26.027 ( 2.368 -3.830 -0.378) 4.519 26.424 ( 5.207 2.698 -0.263) 5.871 26.455 ( 4.053 -0.934 -1.575) 4.447 26.672 ( -1.879 5.236 -0.067) 5.563 26.741 ( 5.428 -0.897 2.790) 6.169 26.965 ( 1.192 -2.990 0.180) 3.224 27.026 ( 4.839 -8.514 1.475) 9.904 28.146 ( -1.163 9.916 20.067) 22.414 28.329 ( 1.275 -9.021 21.547) 23.394 29.366 ( -5.152 11.912 -22.515) 25.988 29.531 ( -6.882 -6.009 -22.166) 23.975 ======================= Grid point 158 (89/159) ======================= q-point: ( 0.15 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 9.936 15.536 24.824) 30.924 3.280 ( 15.116 -22.593 16.451) 31.774 3.443 ( 13.094 11.896 31.228) 35.891 3.685 ( 9.427 -13.846 22.837) 28.322 3.940 ( 4.640 -4.615 -23.872) 24.753 3.960 ( 8.042 -7.156 -18.333) 21.260 4.562 ( -4.657 3.742 -16.068) 17.142 4.666 ( -1.870 -6.369 -22.196) 23.167 5.140 ( -7.181 17.810 4.258) 19.670 5.274 ( -2.262 5.618 5.742) 8.346 5.754 ( -3.395 -4.092 11.898) 13.032 5.822 ( -10.102 -7.809 4.876) 13.668 5.959 ( 8.889 10.541 20.877) 25.020 6.122 ( -3.951 -7.340 4.419) 9.434 6.407 ( -3.742 9.138 9.140) 13.456 6.594 ( -13.978 -8.274 15.113) 22.187 6.812 ( -13.266 5.678 0.361) 14.435 6.928 ( -1.644 -4.228 -0.395) 4.553 7.275 ( -11.360 14.642 -9.463) 20.809 7.409 ( -16.750 1.736 3.232) 17.147 7.470 ( -9.258 8.415 -1.557) 12.607 7.760 ( 3.840 -15.568 -1.863) 16.143 7.819 ( -14.656 7.581 0.214) 16.502 8.145 ( -13.342 -25.323 4.054) 28.909 8.602 ( -6.486 7.831 -0.564) 10.183 8.709 ( -7.183 -0.121 -0.443) 7.197 8.893 ( -0.416 4.969 2.090) 5.407 8.936 ( 3.357 -0.381 2.817) 4.398 9.098 ( -6.632 6.864 0.391) 9.553 9.299 ( -3.712 -9.050 2.776) 10.168 9.858 ( -5.092 6.813 5.067) 9.901 10.002 ( -6.713 -7.737 3.405) 10.795 10.339 ( 13.121 5.000 -3.619) 14.500 10.452 ( 14.132 -5.985 -4.639) 16.033 10.868 ( -11.651 7.404 -4.140) 14.412 10.959 ( -7.033 1.787 1.588) 7.429 10.989 ( -13.072 -1.552 1.041) 13.205 11.054 ( 0.243 -3.796 -3.181) 4.958 11.249 ( 1.126 3.140 6.418) 7.233 11.359 ( 0.518 -5.176 7.284) 8.951 11.624 ( -1.997 1.657 -1.951) 3.247 11.676 ( -0.826 -3.548 -0.826) 3.736 12.039 ( 2.275 10.798 -6.654) 12.886 12.218 ( 2.919 -6.314 -5.293) 8.741 12.321 ( 10.620 9.894 -5.642) 15.573 12.505 ( 10.408 -6.885 -5.972) 13.834 12.612 ( 3.264 -0.394 4.510) 5.581 12.709 ( 4.038 -10.681 -2.999) 11.806 12.990 ( 8.278 3.326 -5.216) 10.334 13.077 ( 7.385 -6.405 -5.197) 11.071 13.670 ( 3.325 10.104 -0.989) 10.683 13.825 ( 1.459 -2.805 -3.067) 4.405 13.994 ( 0.300 2.183 -4.793) 5.275 14.079 ( -1.414 -4.817 -4.028) 6.437 14.142 ( 10.733 2.854 -2.600) 11.406 14.199 ( 2.890 -4.036 -3.702) 6.193 14.629 ( 2.473 9.002 -1.726) 9.494 14.650 ( 1.594 6.553 1.563) 6.923 14.902 ( 13.392 1.061 1.851) 13.561 14.968 ( 9.140 -4.755 -1.360) 10.392 15.006 ( 3.248 0.807 -2.904) 4.431 15.142 ( 5.793 -9.626 2.828) 11.585 15.170 ( 0.248 2.672 3.469) 4.386 15.243 ( -5.140 -4.356 4.286) 7.985 15.534 ( 4.007 2.099 3.576) 5.767 15.624 ( 4.781 -8.228 -1.502) 9.634 16.133 ( -1.550 6.042 -1.455) 6.405 16.193 ( -0.855 1.032 -1.682) 2.151 16.435 ( -4.412 1.643 -2.273) 5.228 16.461 ( -6.350 -0.074 -5.980) 8.723 16.918 ( 3.717 9.259 2.718) 10.340 17.042 ( 3.075 14.191 -2.280) 14.698 17.099 ( 0.603 -9.366 -0.689) 9.411 17.285 ( 1.592 -11.424 0.107) 11.534 17.468 ( 4.328 2.026 0.032) 4.778 17.539 ( 4.332 -5.315 2.428) 7.274 18.446 ( -4.042 7.047 5.192) 9.642 18.549 ( 0.151 -3.292 8.561) 9.173 18.997 ( -4.424 3.324 -3.328) 6.457 19.084 ( -2.632 -5.291 -2.011) 6.242 24.816 ( 3.064 1.730 2.294) 4.200 24.847 ( 2.992 -1.158 1.911) 3.734 25.035 ( 1.832 3.217 0.327) 3.716 25.106 ( 2.537 -3.889 -2.635) 5.339 26.050 ( 6.233 1.533 0.728) 6.460 26.091 ( 5.915 -2.977 -0.191) 6.624 26.519 ( 6.619 1.637 -1.253) 6.933 26.544 ( 7.241 -1.507 0.039) 7.396 26.661 ( 2.615 9.614 0.098) 9.963 26.848 ( 4.582 -7.898 2.401) 9.441 27.022 ( 6.249 3.509 0.931) 7.227 27.152 ( 8.088 -8.237 1.665) 11.663 28.325 ( -4.991 13.608 17.140) 22.447 28.563 ( -2.843 -11.366 18.803) 22.154 29.002 ( -8.517 8.376 -19.603) 22.956 29.137 ( -9.481 -5.793 -21.047) 23.800 ======================= Grid point 159 (90/159) ======================= q-point: ( 0.23 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 9.259 14.379 17.387) 24.388 3.636 ( 10.028 -13.008 0.010) 16.424 3.804 ( 14.933 -0.870 -12.506) 19.498 3.912 ( 15.396 -6.867 -10.308) 19.760 4.013 ( 7.829 8.380 23.153) 25.837 4.163 ( 5.082 -5.791 17.752) 19.352 4.319 ( -1.588 -5.394 -5.511) 7.873 4.373 ( 1.664 -10.871 -19.640) 22.510 5.014 ( -6.369 20.611 -4.542) 22.046 5.168 ( -7.516 4.360 -3.987) 9.560 5.539 ( -16.060 -9.408 -3.448) 18.929 5.603 ( -16.161 -16.534 -1.657) 23.180 6.165 ( -6.158 8.178 8.364) 13.219 6.200 ( -5.364 1.719 1.438) 5.813 6.434 ( -1.052 7.496 2.104) 7.856 6.541 ( -16.732 6.188 -3.946) 18.271 6.558 ( -11.699 -2.656 5.384) 13.149 6.781 ( -7.385 -10.603 -6.285) 14.369 7.096 ( -1.898 12.190 -4.374) 13.089 7.275 ( -10.061 -6.088 1.474) 11.852 7.403 ( -3.097 12.767 2.472) 13.368 7.646 ( -7.248 16.011 3.607) 17.941 7.742 ( 2.535 -19.200 -7.944) 20.932 7.993 ( -11.848 -19.029 6.519) 23.345 8.500 ( -6.598 8.242 3.081) 10.998 8.636 ( -3.313 -4.866 0.046) 5.887 8.838 ( -6.240 13.601 3.042) 15.270 8.971 ( -5.050 -2.710 1.862) 6.026 9.080 ( -2.843 7.291 4.688) 9.122 9.297 ( -6.971 -11.313 5.035) 14.211 9.801 ( -7.077 7.897 3.881) 11.292 9.904 ( -6.732 -1.566 -0.296) 6.918 10.522 ( 13.739 5.800 -2.255) 15.083 10.613 ( 9.106 -4.295 -7.130) 12.337 10.694 ( -8.370 -0.449 1.943) 8.605 10.777 ( -9.981 -3.968 2.657) 11.065 10.967 ( -0.566 0.570 5.059) 5.122 11.020 ( -1.087 -3.353 0.045) 3.525 11.342 ( -2.898 3.776 4.917) 6.843 11.409 ( -1.963 -1.894 3.729) 4.620 11.603 ( 1.376 5.079 -0.867) 5.333 11.723 ( 5.220 -5.643 5.281) 9.326 12.009 ( 3.744 8.627 -3.398) 10.000 12.187 ( 3.451 -9.042 -6.499) 11.658 12.314 ( 1.335 9.071 -5.714) 10.803 12.515 ( 2.885 -8.342 -9.581) 13.027 12.643 ( -1.073 -0.783 -1.389) 1.922 12.733 ( 0.092 -11.135 1.656) 11.257 13.160 ( 14.128 4.852 1.422) 15.006 13.249 ( 16.916 -5.214 -1.437) 17.759 13.750 ( 1.130 4.461 1.829) 4.952 13.863 ( 4.749 -1.995 4.766) 7.017 13.899 ( 0.007 5.191 -4.332) 6.761 14.070 ( 2.688 -7.846 3.889) 9.161 14.218 ( 6.947 6.211 -7.694) 12.084 14.287 ( 10.985 -1.424 -5.371) 12.310 14.604 ( -3.453 10.709 -1.364) 11.334 14.635 ( -4.304 6.562 0.641) 7.874 14.972 ( -3.811 1.101 4.349) 5.886 15.064 ( 0.393 -6.331 3.592) 7.290 15.095 ( 7.100 -2.009 -1.899) 7.619 15.140 ( 1.760 -4.169 -5.457) 7.089 15.294 ( 9.261 1.725 3.454) 10.033 15.375 ( 10.311 -7.131 2.133) 12.717 15.617 ( 3.701 1.274 -0.274) 3.924 15.652 ( 3.826 -3.167 -2.876) 5.739 16.124 ( 2.708 5.822 -1.460) 6.585 16.180 ( 3.579 1.106 -4.498) 5.853 16.293 ( -7.124 2.948 -3.101) 8.310 16.366 ( -4.197 -4.544 1.540) 6.375 16.961 ( 2.299 6.278 -1.954) 6.966 16.988 ( 0.102 3.239 1.589) 3.610 17.240 ( 7.285 1.261 4.023) 8.417 17.358 ( 4.177 -8.649 1.626) 9.741 17.525 ( 3.977 2.519 -0.394) 4.724 17.609 ( 3.182 -5.611 0.386) 6.462 18.454 ( -1.530 10.167 2.568) 10.597 18.630 ( -1.349 -8.414 3.652) 9.271 18.897 ( -2.069 6.158 -3.116) 7.205 19.012 ( -3.086 -5.825 -2.404) 7.016 24.883 ( 2.742 1.816 1.145) 3.483 24.908 ( 2.999 -0.313 0.267) 3.027 25.068 ( 1.045 1.196 1.398) 2.116 25.111 ( 2.320 -2.869 -2.665) 4.551 26.169 ( 7.574 0.717 0.802) 7.650 26.193 ( 7.196 -2.023 -0.112) 7.476 26.576 ( 2.037 2.966 -0.995) 3.733 26.605 ( 4.001 -0.800 -1.779) 4.451 26.795 ( 10.509 6.354 1.177) 12.337 26.964 ( 7.367 -9.933 1.618) 12.472 27.174 ( 9.787 7.220 3.296) 12.600 27.315 ( 9.798 -7.012 2.669) 12.341 28.398 ( -7.975 14.920 10.082) 19.694 28.621 ( -11.601 -1.953 -7.226) 13.806 28.682 ( -5.783 -2.207 -6.089) 8.683 28.793 ( -7.684 -7.456 -3.386) 11.229 ======================= Grid point 160 (91/159) ======================= q-point: ( 0.31 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( -5.102 8.321 0.780) 9.791 3.598 ( -3.410 1.619 -8.386) 9.196 3.848 ( -8.591 10.231 -9.637) 16.472 4.006 ( 11.336 0.191 -1.343) 11.417 4.058 ( -10.345 -4.472 3.396) 11.771 4.205 ( 20.603 -18.702 -1.007) 27.843 4.424 ( 13.207 8.553 -0.225) 15.737 4.705 ( 11.650 -11.483 7.789) 18.118 4.919 ( 3.387 9.846 -4.031) 11.165 5.054 ( -0.753 0.035 -2.026) 2.162 5.357 ( -0.442 -1.795 3.172) 3.671 5.478 ( -0.415 -14.754 4.798) 15.520 6.034 ( -11.683 5.350 1.382) 12.924 6.093 ( -8.548 -2.383 -2.077) 9.114 6.208 ( -16.762 5.476 -5.281) 18.408 6.326 ( -12.872 -7.450 -7.062) 16.464 6.421 ( -1.702 10.740 -3.479) 11.417 6.645 ( -7.148 -8.630 -0.109) 11.206 6.936 ( -8.861 0.968 -9.826) 13.267 7.013 ( -15.479 -4.609 -8.440) 18.224 7.337 ( -0.236 12.951 -7.395) 14.916 7.656 ( 1.275 -17.742 -10.550) 20.682 7.726 ( 2.792 17.980 9.398) 20.480 7.990 ( -3.735 -8.443 9.107) 12.968 8.476 ( -2.352 5.193 2.997) 6.440 8.565 ( -3.317 -3.657 -4.035) 6.376 8.763 ( -7.258 14.782 -1.432) 16.530 8.921 ( -6.033 -2.121 1.920) 6.677 9.031 ( -5.957 -0.317 3.021) 6.687 9.136 ( -12.724 -9.453 -3.239) 16.179 9.749 ( -4.589 7.550 0.283) 8.840 9.798 ( -4.259 3.219 -3.529) 6.400 10.528 ( -10.586 3.513 0.392) 11.161 10.598 ( -8.498 -5.309 2.879) 10.426 10.682 ( 5.142 7.013 3.264) 9.289 10.809 ( 9.741 -2.201 -1.106) 10.048 10.920 ( -7.842 0.528 0.966) 7.919 11.061 ( -3.716 -9.789 -1.446) 10.570 11.324 ( 3.054 4.810 3.903) 6.906 11.426 ( -0.372 -5.203 1.829) 5.528 11.688 ( 5.737 8.790 3.757) 11.149 11.856 ( 3.729 -8.379 2.360) 9.470 12.035 ( 0.017 10.084 -1.287) 10.166 12.211 ( 4.519 -0.100 2.311) 5.076 12.319 ( 2.459 -3.618 0.249) 4.382 12.462 ( 2.402 -11.112 -1.154) 11.427 12.629 ( 1.775 1.776 1.481) 2.915 12.747 ( 0.264 -11.329 1.400) 11.418 13.354 ( 8.290 5.066 -1.178) 9.786 13.457 ( 11.649 -6.023 -2.905) 13.431 13.762 ( 2.293 6.010 0.225) 6.437 13.851 ( 3.112 -2.174 -2.040) 4.310 14.094 ( 3.717 6.286 3.970) 8.312 14.135 ( 3.386 5.369 -3.012) 7.026 14.259 ( 4.137 2.436 2.135) 5.255 14.391 ( 7.899 -8.039 2.657) 11.579 14.512 ( -3.974 9.106 -2.860) 10.339 14.573 ( -1.606 2.566 -1.494) 3.376 14.987 ( -3.616 1.148 4.849) 6.157 15.070 ( -3.072 -5.018 6.475) 8.749 15.110 ( 2.689 2.032 -2.466) 4.176 15.200 ( 8.574 -4.101 -0.872) 9.544 15.438 ( 4.274 -0.731 1.266) 4.517 15.501 ( 5.032 -6.703 0.650) 8.407 15.686 ( 6.847 1.954 -1.123) 7.208 15.700 ( 5.258 0.044 -1.569) 5.488 16.159 ( -2.856 0.957 -2.414) 3.860 16.178 ( 3.154 -0.664 -0.535) 3.267 16.219 ( 1.330 6.973 3.601) 7.960 16.354 ( -0.913 -7.331 3.866) 8.338 16.996 ( 3.978 6.954 -0.434) 8.023 17.056 ( 3.163 0.615 2.057) 3.822 17.367 ( 2.350 1.111 2.527) 3.625 17.413 ( 2.227 -2.462 0.999) 3.467 17.595 ( 5.931 1.174 -0.986) 6.126 17.686 ( 6.799 -6.771 0.428) 9.605 18.439 ( -1.478 8.255 -1.833) 8.584 18.545 ( -6.689 -2.387 -5.505) 8.986 18.890 ( 2.709 0.271 -1.435) 3.078 18.942 ( -1.826 -4.150 -1.757) 4.863 24.924 ( 2.138 1.868 -0.610) 2.904 24.946 ( 2.209 -0.184 -0.628) 2.304 25.099 ( 0.183 -0.064 1.927) 1.937 25.118 ( 2.121 -1.824 -1.704) 3.275 26.288 ( 6.393 0.152 0.370) 6.406 26.300 ( 6.413 -1.149 0.043) 6.515 26.586 ( 1.569 3.565 -1.378) 4.132 26.637 ( 3.307 -2.066 -2.301) 4.528 26.944 ( 8.253 6.252 -1.480) 10.459 27.088 ( 7.017 -8.338 -0.723) 10.922 27.393 ( 10.417 6.533 6.177) 13.761 27.519 ( 10.219 -6.287 4.707) 12.889 28.224 ( -8.288 6.650 -14.103) 17.658 28.347 ( -6.851 -4.942 -12.126) 14.778 28.533 ( -8.145 13.346 7.246) 17.233 28.793 ( -8.393 -12.766 12.407) 19.682 ======================= Grid point 161 (92/159) ======================= q-point: ( 0.38 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( -19.407 5.015 -0.711) 20.057 3.318 ( -23.161 -2.568 2.470) 23.433 3.771 ( 5.746 12.060 -1.953) 13.501 3.957 ( -0.455 -5.709 1.162) 5.844 4.287 ( 22.012 10.255 -4.574) 24.710 4.488 ( 6.922 3.316 -0.109) 7.676 4.566 ( 19.476 -8.788 -4.651) 21.867 4.726 ( 0.114 -5.645 -4.872) 7.458 5.000 ( 9.283 3.665 -2.504) 10.289 5.177 ( 10.700 -9.246 0.165) 14.142 5.485 ( 1.529 8.150 0.663) 8.319 5.604 ( 2.587 -5.735 0.397) 6.304 5.802 ( -17.031 1.003 -10.892) 20.241 5.863 ( -13.419 -0.770 -3.252) 13.828 5.922 ( -6.251 1.469 0.220) 6.425 6.120 ( -10.447 -15.354 -3.982) 18.993 6.348 ( -1.107 8.656 -0.329) 8.733 6.563 ( -7.164 -10.324 4.026) 13.195 6.645 ( -5.640 3.834 -4.304) 8.065 6.810 ( -1.741 -9.976 -1.984) 10.320 7.240 ( 1.684 15.027 -10.974) 18.684 7.532 ( 0.406 -13.458 -12.358) 18.276 7.854 ( 2.572 15.713 3.551) 16.313 8.023 ( -3.959 -1.667 5.918) 7.312 8.360 ( -5.571 6.124 -16.605) 18.554 8.442 ( -3.802 -1.761 -8.231) 9.236 8.631 ( -4.095 6.190 -2.437) 7.812 8.761 ( -8.606 -4.880 -5.850) 11.493 8.944 ( -6.612 0.915 1.296) 6.799 9.054 ( -2.699 -8.506 7.767) 11.830 9.657 ( -3.892 4.611 -4.866) 7.751 9.672 ( -2.659 2.522 -7.751) 8.574 10.367 ( -11.061 4.276 0.946) 11.896 10.469 ( -9.709 -6.301 -0.847) 11.605 10.724 ( -7.087 4.532 1.972) 8.640 10.778 ( -10.088 -0.802 0.598) 10.138 10.906 ( 6.903 6.737 -2.020) 9.855 11.014 ( 6.895 -5.679 -4.489) 9.997 11.407 ( -0.143 1.241 0.413) 1.316 11.480 ( 0.661 -7.039 5.588) 9.011 11.806 ( 2.838 3.772 1.043) 4.835 11.850 ( -2.200 0.519 -5.047) 5.530 12.085 ( 4.352 6.478 6.849) 10.383 12.304 ( 2.715 -9.406 4.787) 10.897 12.381 ( 1.899 3.288 4.097) 5.586 12.510 ( -0.403 -7.435 0.925) 7.503 12.787 ( 6.411 -3.059 11.816) 13.787 12.810 ( 3.615 -6.156 6.503) 9.657 13.384 ( 3.534 7.687 -5.496) 10.089 13.531 ( 4.382 -6.936 -5.548) 9.904 13.837 ( 3.572 4.614 0.237) 5.840 13.911 ( 3.320 -3.198 0.118) 4.611 14.003 ( 0.566 13.292 -5.675) 14.464 14.224 ( 4.806 -10.003 -3.171) 11.542 14.276 ( -0.646 15.076 0.807) 15.112 14.434 ( -1.200 4.681 -3.420) 5.920 14.566 ( -0.416 -1.451 2.213) 2.679 14.602 ( 5.400 -9.842 10.138) 15.126 14.959 ( -3.049 5.993 3.047) 7.382 15.105 ( -5.279 -8.720 7.438) 12.619 15.218 ( 4.990 8.281 8.066) 12.591 15.383 ( 8.658 -7.252 4.210) 12.053 15.528 ( 6.883 1.898 5.086) 8.766 15.582 ( 3.833 -3.214 1.475) 5.215 15.767 ( 5.610 0.661 -0.357) 5.660 15.773 ( 4.475 -1.387 1.455) 4.906 16.081 ( -5.629 2.876 0.844) 6.377 16.166 ( -2.808 -5.780 -0.264) 6.432 16.363 ( 5.655 4.627 7.676) 10.598 16.455 ( 4.399 -4.711 7.816) 10.131 17.031 ( 0.683 6.861 -1.136) 6.988 17.070 ( -1.532 2.699 -3.002) 4.318 17.402 ( 1.620 0.316 0.179) 1.661 17.461 ( 2.506 -5.556 -0.039) 6.095 17.679 ( 5.257 4.825 -0.201) 7.138 17.794 ( 4.821 -6.445 0.364) 8.057 18.358 ( -3.144 2.960 -7.537) 8.686 18.370 ( -1.922 1.336 -6.872) 7.260 18.871 ( 0.249 1.516 -3.942) 4.231 18.935 ( 1.178 -4.673 -1.750) 5.128 24.940 ( 1.367 1.763 -1.082) 2.480 24.962 ( 1.018 -0.430 -0.696) 1.306 25.118 ( -0.298 0.100 1.476) 1.509 25.137 ( 2.211 -1.666 -0.688) 2.853 26.365 ( 3.696 0.456 -0.407) 3.746 26.381 ( 3.821 -1.072 -0.171) 3.972 26.593 ( 1.828 3.889 -1.826) 4.669 26.656 ( 3.563 -2.803 -3.329) 5.624 27.014 ( 4.887 6.670 -3.338) 8.917 27.146 ( 3.466 -7.104 -3.204) 8.529 27.590 ( 4.440 4.322 2.864) 6.826 27.687 ( 3.860 -5.665 0.401) 6.867 27.988 ( -0.379 8.358 -7.367) 11.148 28.153 ( 0.174 -8.377 -8.557) 11.976 28.535 ( -6.297 14.747 10.732) 19.295 28.794 ( -9.009 -12.366 10.148) 18.360 ======================= Grid point 162 (93/159) ======================= q-point: ( 0.46 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( -4.742 0.260 6.101) 7.732 3.087 ( -11.650 -1.094 7.379) 13.833 3.891 ( 5.255 10.307 5.532) 12.824 4.029 ( 2.459 -2.936 5.390) 6.612 4.525 ( 5.533 9.194 -4.803) 11.757 4.564 ( 17.118 13.813 -3.161) 22.222 4.697 ( 0.675 -4.387 -2.352) 5.023 4.820 ( 13.530 -10.087 -1.969) 16.990 5.067 ( 7.259 5.289 -12.875) 15.698 5.170 ( -4.724 4.197 -7.898) 10.115 5.322 ( -15.688 -1.061 -15.187) 21.861 5.378 ( 1.254 -8.062 -9.474) 12.503 5.496 ( -9.356 2.004 -4.705) 10.662 5.692 ( -15.763 -15.982 -2.005) 22.537 5.849 ( -3.905 2.420 -4.995) 6.786 5.896 ( -1.936 -4.692 -2.934) 5.863 6.463 ( 6.314 2.978 6.611) 9.615 6.555 ( 2.718 -5.940 6.973) 9.555 6.766 ( 6.590 0.361 9.327) 11.426 6.863 ( 3.203 -8.181 4.892) 10.056 7.114 ( 1.861 15.265 -13.980) 20.783 7.365 ( -1.287 -7.827 -14.109) 16.186 7.882 ( -1.721 6.336 -3.780) 7.576 7.969 ( -8.584 0.151 -4.662) 9.769 8.049 ( -2.024 6.649 -18.488) 19.751 8.214 ( -2.965 -6.334 -9.598) 11.875 8.568 ( -0.125 0.978 -2.897) 3.060 8.626 ( -3.782 -2.971 -0.253) 4.816 8.930 ( -1.410 7.606 5.242) 9.345 9.111 ( -1.871 -9.588 6.384) 11.670 9.496 ( -1.890 3.844 -11.830) 12.582 9.566 ( -0.833 -1.820 -6.659) 6.954 10.218 ( -5.860 3.306 -2.752) 7.269 10.295 ( -6.515 -5.233 -5.449) 9.976 10.615 ( -5.206 3.966 2.114) 6.877 10.693 ( -4.105 -3.590 1.406) 5.632 11.007 ( 6.056 4.501 0.809) 7.589 11.058 ( 3.763 -1.737 -3.312) 5.305 11.379 ( -3.290 4.349 0.341) 5.465 11.510 ( -3.337 -9.388 3.165) 10.454 11.734 ( -3.149 3.547 -5.725) 7.435 11.775 ( -1.353 -1.205 -5.211) 5.517 12.240 ( 4.664 7.015 4.525) 9.563 12.383 ( 0.036 4.431 0.230) 4.437 12.448 ( -4.094 -5.231 -0.638) 6.674 12.484 ( 4.906 -8.777 2.656) 10.400 12.967 ( 5.217 5.074 8.163) 10.936 13.090 ( 7.045 -6.771 14.382) 17.387 13.391 ( 2.875 5.738 0.193) 6.421 13.482 ( -0.119 -2.335 -5.799) 6.253 13.823 ( 0.215 2.575 -2.406) 3.531 13.877 ( -0.671 -2.900 -2.091) 3.638 14.108 ( 4.557 11.142 5.170) 13.101 14.233 ( -0.712 10.059 0.238) 10.087 14.312 ( 0.677 -5.513 4.910) 7.413 14.386 ( -0.144 -1.346 -2.541) 2.879 14.603 ( -0.102 4.964 4.360) 6.608 14.780 ( 4.230 -11.744 7.388) 14.505 14.999 ( -0.819 3.200 7.639) 8.322 15.120 ( -4.814 -9.550 8.129) 13.433 15.330 ( -0.860 8.285 4.770) 9.599 15.514 ( 2.968 -7.327 3.933) 8.830 15.643 ( 2.401 3.206 -0.338) 4.020 15.690 ( 3.569 -1.620 -0.093) 3.921 15.895 ( 7.583 1.820 6.592) 10.212 15.952 ( 10.937 -4.199 8.164) 14.279 16.014 ( -5.931 2.676 4.647) 7.996 16.103 ( -4.983 -6.826 0.775) 8.487 16.547 ( 3.466 5.712 10.101) 12.111 16.637 ( 3.635 -3.393 10.083) 11.242 16.956 ( -4.304 5.449 -6.230) 9.329 16.991 ( -2.210 2.875 -2.730) 4.539 17.386 ( -1.674 1.165 -4.389) 4.839 17.464 ( -1.057 -5.911 -3.408) 6.905 17.741 ( 0.840 4.375 2.599) 5.158 17.814 ( -1.837 -2.969 0.892) 3.603 18.264 ( 3.685 1.674 -8.247) 9.186 18.302 ( 3.516 -2.003 -5.918) 7.169 18.819 ( 0.167 3.320 -5.347) 6.296 18.896 ( -1.016 -4.343 -5.218) 6.864 24.941 ( -0.129 1.449 -0.452) 1.524 24.961 ( -0.497 -0.538 -0.103) 0.740 25.126 ( -0.262 1.493 0.642) 1.646 25.169 ( 2.580 -2.755 -0.227) 3.781 26.393 ( 0.775 0.467 -0.674) 1.129 26.407 ( 0.271 -0.862 -0.877) 1.259 26.597 ( 2.172 4.095 -2.501) 5.266 26.663 ( 3.582 -2.915 -4.540) 6.476 27.023 ( 1.695 5.323 -3.267) 6.471 27.121 ( -0.622 -4.983 -4.067) 6.463 27.528 ( -4.560 4.365 -7.854) 10.077 27.620 ( -2.881 -5.275 -8.469) 10.386 28.090 ( 9.291 4.358 5.375) 11.584 28.152 ( 1.103 -1.017 2.748) 3.131 28.615 ( 1.560 6.482 9.456) 11.570 28.770 ( -7.621 -8.879 7.745) 14.033 ======================= Grid point 163 (94/159) ======================= q-point: (-0.46 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 2.291 4.814 9.181) 10.617 3.235 ( 10.591 -6.154 8.021) 14.641 3.987 ( -3.432 9.332 3.035) 10.396 4.060 ( -9.973 3.431 6.943) 12.627 4.368 ( -14.432 4.831 -12.790) 19.880 4.525 ( -14.594 -7.949 -4.982) 17.349 4.739 ( 5.167 10.399 -13.770) 18.013 4.872 ( 2.436 9.952 -0.650) 10.267 4.936 ( 5.497 5.036 -6.566) 9.934 5.141 ( 5.880 -2.840 -5.696) 8.665 5.152 ( -1.589 -9.559 -4.225) 10.572 5.258 ( 6.745 -1.257 -3.273) 7.602 5.374 ( 5.836 -2.014 -6.248) 8.784 5.523 ( 4.995 -10.961 -9.125) 15.112 5.844 ( -0.961 -0.815 2.073) 2.426 5.851 ( 3.575 -1.730 3.851) 5.532 6.598 ( 2.189 5.019 2.679) 6.096 6.695 ( 2.432 -2.994 -3.749) 5.379 6.804 ( -6.477 7.354 -1.217) 9.875 6.902 ( -2.178 -3.144 -0.756) 3.899 7.090 ( 8.087 6.176 -4.051) 10.953 7.158 ( -1.177 -0.305 -14.245) 14.297 7.597 ( -8.369 -6.245 -19.872) 22.449 7.674 ( -7.108 -13.915 -14.892) 21.585 8.021 ( 4.361 13.022 3.611) 14.200 8.233 ( 5.267 -8.056 4.365) 10.568 8.578 ( 3.498 0.453 0.852) 3.629 8.624 ( -1.210 -2.342 5.234) 5.861 8.983 ( 0.271 7.293 2.528) 7.723 9.147 ( 2.420 -5.744 -0.454) 6.249 9.341 ( -0.693 4.996 -9.252) 10.537 9.504 ( 3.242 -8.572 -5.370) 10.622 10.160 ( 4.055 0.431 -3.619) 5.452 10.186 ( 2.757 -3.469 -6.213) 7.631 10.623 ( 0.670 2.384 3.549) 4.328 10.667 ( -0.746 -1.858 0.002) 2.002 11.039 ( -0.307 2.477 -2.791) 3.744 11.093 ( 1.999 -1.937 1.438) 3.133 11.332 ( -3.421 5.294 0.776) 6.351 11.460 ( -5.642 -8.618 1.552) 10.417 11.666 ( 0.930 4.198 -0.993) 4.413 11.713 ( 0.785 -1.381 -2.759) 3.183 12.301 ( 0.321 6.920 -1.167) 7.026 12.362 ( -2.382 4.643 -1.116) 5.337 12.390 ( 4.170 3.944 -3.597) 6.774 12.567 ( 5.119 -12.614 -3.772) 14.126 13.062 ( 0.758 9.527 -1.527) 9.678 13.214 ( 3.522 -6.875 -7.659) 10.878 13.461 ( 1.403 3.714 5.379) 6.685 13.526 ( 0.518 -0.989 10.499) 10.558 13.837 ( -2.531 3.235 8.520) 9.458 13.917 ( -0.961 -2.649 9.597) 10.002 14.137 ( -0.636 10.528 -1.277) 10.625 14.243 ( -5.194 5.301 5.041) 8.972 14.373 ( 3.144 -4.727 0.976) 5.760 14.404 ( -1.335 -3.431 7.360) 8.229 14.651 ( -1.144 10.668 4.117) 11.491 14.903 ( 1.695 -12.465 4.618) 13.401 15.073 ( -3.297 0.606 8.046) 8.716 15.133 ( -6.512 -7.034 6.677) 11.683 15.333 ( -4.219 7.496 2.163) 8.869 15.547 ( -3.287 -11.393 0.189) 11.860 15.654 ( 2.076 2.157 -1.992) 3.596 15.679 ( -0.071 -0.403 -3.814) 3.836 16.008 ( 0.172 -0.545 5.503) 5.532 16.044 ( -1.642 -5.107 0.613) 5.400 16.106 ( 4.692 6.841 9.652) 12.727 16.250 ( 6.576 -7.542 12.314) 15.867 16.684 ( -0.744 8.008 7.168) 10.773 16.758 ( 1.568 3.543 0.986) 3.998 16.817 ( -3.170 2.809 -4.866) 6.451 16.939 ( -3.325 -5.901 0.943) 6.839 17.262 ( -5.184 4.015 -3.720) 7.538 17.351 ( -5.604 -4.250 -3.441) 7.830 17.751 ( -3.652 4.687 3.127) 6.715 17.829 ( -2.284 -3.771 5.362) 6.942 18.222 ( 3.418 4.489 -8.124) 9.891 18.327 ( 6.077 -6.231 -4.767) 9.923 18.744 ( 0.277 2.278 -7.647) 7.983 18.788 ( -1.591 -1.961 -8.063) 8.450 24.921 ( -2.083 1.059 0.003) 2.337 24.943 ( -2.476 -0.985 0.685) 2.751 25.129 ( 0.283 3.720 -0.065) 3.731 25.208 ( 2.449 -4.290 -0.031) 4.940 26.367 ( -3.437 0.129 -1.673) 3.825 26.368 ( -2.942 -0.074 -1.037) 3.120 26.611 ( 3.949 3.017 -2.555) 5.587 26.661 ( 4.019 -2.224 -5.150) 6.901 26.988 ( -2.281 3.099 -2.067) 4.368 27.045 ( -3.474 -2.465 -2.471) 4.925 27.356 ( -4.818 4.233 -7.597) 9.942 27.453 ( -4.198 -5.382 -8.882) 11.202 28.166 ( -4.938 7.803 4.426) 10.241 28.285 ( 4.740 -4.108 4.420) 7.673 28.775 ( -0.037 0.695 6.495) 6.533 28.820 ( 9.531 -3.471 8.109) 12.986 ======================= Grid point 164 (95/159) ======================= q-point: (-0.38 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( -1.081 9.518 4.940) 10.778 3.394 ( -6.945 -2.908 0.751) 7.566 3.791 ( -15.229 7.021 -1.013) 16.800 3.874 ( -25.287 5.033 -12.163) 28.508 4.012 ( -5.218 0.953 5.200) 7.428 4.210 ( -16.220 -13.619 -2.570) 21.335 4.642 ( 6.838 8.945 -7.795) 13.694 4.829 ( -3.514 -5.828 -4.173) 7.983 5.004 ( 2.738 13.528 -2.742) 14.072 5.057 ( 7.421 8.700 -3.502) 11.959 5.292 ( 12.998 -2.720 -6.740) 14.892 5.374 ( 2.948 5.715 -8.807) 10.905 5.465 ( 7.385 -14.724 -5.759) 17.450 5.535 ( 13.975 -6.568 -2.144) 15.590 5.982 ( 8.595 5.417 9.835) 14.141 6.080 ( 9.161 -2.837 9.025) 13.169 6.445 ( -9.468 3.092 -8.183) 12.890 6.513 ( -3.964 -1.107 -10.952) 11.700 6.777 ( -0.953 13.378 8.776) 16.028 6.822 ( -2.713 11.030 -17.569) 20.921 7.000 ( -1.042 -7.966 6.264) 10.187 7.187 ( 1.316 -21.315 -10.366) 23.738 7.278 ( 3.414 6.596 -8.268) 11.114 7.522 ( 6.240 -18.332 -12.781) 23.203 8.167 ( 5.250 11.268 6.131) 13.860 8.399 ( 8.413 -10.119 2.038) 13.317 8.676 ( 1.877 -0.842 5.458) 5.833 8.697 ( 2.670 -0.534 5.587) 6.216 8.986 ( 2.770 4.722 -2.399) 5.977 9.169 ( 2.704 -11.558 -3.989) 12.522 9.290 ( 6.316 12.446 -5.257) 14.914 9.537 ( 5.701 -12.669 -2.114) 14.053 10.231 ( 8.008 -1.511 -2.165) 8.432 10.249 ( 8.967 -2.451 -0.669) 9.319 10.670 ( 3.199 2.638 -0.818) 4.226 10.699 ( 5.077 -0.235 2.463) 5.648 11.026 ( 1.168 3.956 1.384) 4.351 11.119 ( 1.396 -5.104 0.621) 5.328 11.301 ( -2.497 7.420 2.635) 8.260 11.431 ( -0.945 -6.218 2.123) 6.638 11.707 ( 1.772 2.246 2.101) 3.550 11.731 ( 1.253 -0.327 1.748) 2.175 12.278 ( -0.950 8.460 -1.469) 8.639 12.321 ( -2.491 4.636 0.124) 5.264 12.421 ( 6.844 5.835 -6.009) 10.816 12.579 ( 8.791 -9.812 -9.622) 16.314 13.011 ( -2.397 8.712 -2.413) 9.352 13.156 ( 2.988 -7.935 -7.255) 11.159 13.519 ( -0.071 2.321 1.026) 2.539 13.598 ( 0.302 -3.628 0.513) 3.677 13.906 ( -8.030 10.401 4.308) 13.828 13.958 ( -7.557 4.519 14.004) 16.543 14.184 ( -3.465 0.439 -1.966) 4.008 14.190 ( -2.883 -3.383 12.833) 13.581 14.438 ( 0.313 1.435 4.364) 4.605 14.466 ( -4.260 -1.883 7.574) 8.892 14.658 ( -3.177 9.705 4.022) 10.975 14.931 ( -3.823 -16.434 2.357) 17.037 15.055 ( -6.748 5.392 0.080) 8.638 15.072 ( -8.420 -0.647 5.055) 9.842 15.235 ( -9.871 2.537 -0.065) 10.192 15.424 ( -7.542 -12.377 -4.496) 15.175 15.621 ( -2.943 1.108 -1.313) 3.407 15.662 ( 1.620 -3.740 -2.963) 5.039 16.076 ( 2.479 1.161 4.493) 5.262 16.125 ( 4.243 -3.405 2.848) 6.140 16.263 ( 1.223 9.885 9.025) 13.441 16.436 ( 0.896 -6.669 9.447) 11.599 16.633 ( -5.263 8.088 -4.689) 10.729 16.709 ( -5.895 0.831 -0.366) 5.965 16.833 ( 3.920 -3.149 -5.494) 7.448 16.849 ( -0.653 -4.006 0.702) 4.119 17.232 ( -3.059 2.910 7.672) 8.756 17.281 ( -5.333 -1.836 6.246) 8.415 17.702 ( -6.573 6.247 0.853) 9.108 17.806 ( -6.735 -4.874 0.676) 8.341 18.186 ( 1.338 6.369 -3.150) 7.231 18.328 ( 0.567 -8.123 -4.813) 9.458 18.654 ( 2.257 2.110 -8.102) 8.671 18.685 ( 2.041 -1.082 -9.759) 10.029 24.878 ( -3.453 0.647 0.126) 3.516 24.900 ( -4.345 -1.486 1.019) 4.704 25.132 ( 0.312 5.593 -0.325) 5.611 25.237 ( 1.393 -5.344 -0.151) 5.524 26.269 ( -5.870 0.888 -1.881) 6.227 26.282 ( -5.786 -0.451 -1.520) 6.000 26.649 ( 4.916 0.805 -4.182) 6.504 26.665 ( 3.669 -0.734 -4.454) 5.817 26.908 ( -5.632 3.113 0.518) 6.456 26.972 ( -5.026 -2.942 1.737) 6.078 27.207 ( -4.528 3.678 -4.683) 7.481 27.293 ( -4.408 -4.668 -6.182) 8.913 28.103 ( -8.149 9.584 1.938) 12.728 28.291 ( -7.132 -9.943 0.311) 12.240 28.942 ( 11.988 9.683 5.181) 16.258 29.107 ( 15.146 -7.637 6.712) 18.243 ======================= Grid point 165 (96/159) ======================= q-point: (-0.31 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -31.410 12.376 1.873) 33.812 3.125 ( -22.664 11.137 0.093) 25.253 3.312 ( -27.674 -2.765 -4.928) 28.245 3.480 ( -23.520 -11.999 -6.488) 27.190 4.105 ( 7.357 1.933 6.492) 10.001 4.130 ( 1.121 -2.041 4.145) 4.754 4.677 ( 8.667 9.474 -7.125) 14.685 4.840 ( -1.303 10.371 -7.320) 12.761 4.925 ( -2.141 8.665 -4.558) 10.022 4.990 ( -6.835 8.585 -8.176) 13.685 5.168 ( -7.959 13.889 -4.051) 16.512 5.353 ( 7.526 -3.572 -11.599) 14.280 5.473 ( -4.310 -16.049 -2.215) 16.765 5.769 ( 8.609 -22.563 9.338) 25.892 6.074 ( 3.462 4.966 -2.171) 6.431 6.212 ( 6.308 -6.210 -1.731) 9.020 6.365 ( 3.408 5.325 1.775) 6.567 6.523 ( 2.493 -6.841 -4.000) 8.307 6.703 ( 10.425 13.813 -1.671) 17.386 6.995 ( 4.730 -8.259 -0.328) 9.523 6.998 ( 12.613 7.087 5.944) 15.641 7.257 ( 12.462 5.812 2.107) 13.912 7.359 ( 5.013 -14.394 4.417) 15.870 7.513 ( 14.339 -15.581 -11.605) 24.147 8.312 ( 10.307 10.944 0.350) 15.037 8.525 ( 12.608 -8.583 -4.664) 15.949 8.750 ( 0.898 -0.973 4.744) 4.926 8.821 ( 4.154 -6.092 4.771) 8.783 9.062 ( 6.537 3.888 2.005) 7.865 9.196 ( 3.200 -7.847 2.189) 8.753 9.361 ( 11.499 9.810 -6.791) 16.571 9.594 ( 7.558 -13.003 -5.795) 16.118 10.276 ( -1.779 0.481 0.122) 1.847 10.337 ( -0.790 -5.555 2.542) 6.160 10.805 ( 10.333 8.024 4.490) 13.832 10.904 ( 14.639 -1.024 6.156) 15.914 11.096 ( 3.286 3.876 3.087) 5.945 11.185 ( 4.357 -4.450 2.794) 6.826 11.328 ( 0.977 8.563 3.856) 9.441 11.475 ( 3.858 -6.085 1.357) 7.331 11.744 ( 0.529 1.525 0.996) 1.897 11.761 ( -0.087 -0.179 1.328) 1.343 12.211 ( -3.633 7.445 -3.335) 8.930 12.265 ( -4.405 1.696 -0.697) 4.771 12.492 ( 8.806 6.416 -2.676) 11.220 12.630 ( 9.728 -7.224 -6.800) 13.895 12.953 ( -4.679 12.006 1.318) 12.953 13.136 ( 2.109 -8.860 -3.609) 9.797 13.497 ( -1.346 1.126 -1.866) 2.562 13.578 ( -0.762 -5.127 -1.917) 5.527 13.739 ( -5.947 11.474 -9.309) 15.927 13.914 ( -12.128 -4.505 -0.149) 12.939 14.148 ( -3.549 9.723 5.256) 11.608 14.250 ( -9.069 -3.091 11.142) 14.695 14.386 ( -8.723 3.610 -1.830) 9.616 14.452 ( -6.891 -1.485 2.948) 7.641 14.677 ( -6.554 1.468 5.002) 8.375 14.842 ( -8.251 -12.014 -1.680) 14.671 14.930 ( -6.580 4.548 2.529) 8.389 15.006 ( -5.091 4.294 3.316) 7.439 15.090 ( -8.379 -4.052 2.630) 9.672 15.263 ( -5.836 -10.347 -3.453) 12.371 15.546 ( -5.957 1.174 -0.462) 6.089 15.622 ( -1.883 -8.245 -2.551) 8.833 16.118 ( -0.234 1.453 -7.768) 7.906 16.131 ( 0.168 -0.298 -6.274) 6.283 16.351 ( -7.036 10.827 7.940) 15.158 16.501 ( -2.460 0.729 8.475) 8.855 16.516 ( -3.807 4.271 -4.275) 7.142 16.663 ( 4.811 -2.433 6.089) 8.133 16.883 ( 6.344 -4.501 -0.257) 7.783 16.918 ( 0.877 -5.243 3.740) 6.500 17.283 ( -4.107 2.791 9.739) 10.932 17.302 ( -6.159 0.527 10.382) 12.083 17.563 ( -7.659 4.340 -4.161) 9.737 17.639 ( -10.129 -3.409 -5.325) 11.940 18.160 ( -1.538 5.151 -3.709) 6.531 18.257 ( -1.906 -3.813 -1.539) 4.532 18.599 ( 2.860 2.508 -9.588) 10.315 18.662 ( 6.866 -3.991 -3.363) 8.625 24.821 ( -4.078 0.125 0.192) 4.084 24.837 ( -5.162 -1.511 1.029) 5.476 25.127 ( -0.571 6.463 -0.393) 6.500 25.244 ( -0.222 -5.739 -0.376) 5.756 26.157 ( -6.394 1.079 -0.307) 6.491 26.173 ( -6.445 -0.568 0.127) 6.471 26.609 ( -0.875 0.729 -6.857) 6.951 26.633 ( -1.241 -1.664 -5.976) 6.326 26.873 ( -2.691 4.827 4.104) 6.884 26.955 ( -2.657 -3.437 5.181) 6.762 27.120 ( -3.311 1.336 1.627) 3.924 27.175 ( -4.064 -3.747 -1.865) 5.834 27.958 ( -11.365 7.233 -1.317) 13.536 28.107 ( -13.526 -8.154 -3.331) 16.141 29.225 ( 18.149 13.107 1.869) 22.465 29.435 ( 18.879 -9.192 3.647) 21.312 ======================= Grid point 166 (97/159) ======================= q-point: (-0.23 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -32.468 20.041 5.091) 38.493 2.640 ( -34.610 21.110 0.941) 40.551 2.951 ( -21.227 -20.120 4.140) 29.539 3.040 ( -26.890 -20.433 1.239) 33.796 4.093 ( -19.873 27.343 0.901) 33.814 4.290 ( 3.491 0.510 4.849) 5.997 4.517 ( -8.520 20.067 -3.303) 22.050 4.760 ( -2.231 22.594 -0.957) 22.724 4.768 ( 6.820 12.438 0.297) 14.188 4.914 ( -9.778 -6.634 3.442) 12.307 5.169 ( -6.141 -18.719 -3.146) 19.950 5.243 ( 3.524 -20.132 1.939) 20.529 5.436 ( 8.558 1.661 -5.661) 10.394 5.884 ( -0.936 -26.975 -0.273) 26.993 6.090 ( 0.391 16.055 -2.720) 16.288 6.384 ( 9.705 -12.317 1.169) 15.725 6.473 ( 13.187 9.774 -1.769) 16.509 6.656 ( 19.642 -9.463 2.535) 21.949 6.878 ( 3.512 4.416 -0.873) 5.710 6.997 ( -2.379 -8.836 -2.081) 9.384 7.162 ( 11.797 7.509 -4.633) 14.731 7.358 ( 10.259 -9.758 -4.855) 14.968 7.709 ( 18.556 2.044 11.707) 22.035 7.794 ( 21.777 -6.208 8.551) 24.206 8.551 ( 18.576 8.722 -0.677) 20.533 8.746 ( 23.394 -7.418 -4.204) 24.899 8.844 ( 4.148 0.605 4.391) 6.071 8.940 ( 5.175 -9.698 3.004) 11.396 9.203 ( 5.906 4.540 4.673) 8.793 9.284 ( 4.295 -2.817 3.242) 6.074 9.487 ( 14.441 2.925 -5.266) 15.647 9.642 ( 9.668 -11.495 -7.549) 16.810 10.220 ( -6.485 3.354 2.667) 7.773 10.306 ( -6.474 -4.809 2.903) 8.571 10.960 ( -0.748 10.012 4.757) 11.110 11.118 ( 0.337 -5.091 3.901) 6.422 11.254 ( 10.171 5.348 4.944) 12.510 11.332 ( 9.287 -2.069 5.576) 11.028 11.413 ( 4.133 8.292 2.204) 9.524 11.562 ( 4.657 -4.310 -0.428) 6.360 11.759 ( 0.906 -0.300 0.428) 1.046 11.773 ( 0.712 -1.622 0.681) 1.898 12.117 ( -1.872 5.625 -4.350) 7.353 12.183 ( -5.025 -0.448 -0.093) 5.046 12.556 ( 0.066 5.236 -1.501) 5.448 12.656 ( 0.468 -5.328 -4.544) 7.018 12.853 ( -8.755 15.648 -1.933) 18.034 13.085 ( -5.325 -8.799 -3.939) 11.013 13.463 ( 0.180 2.949 -1.275) 3.218 13.548 ( 0.574 -4.038 -3.865) 5.619 13.600 ( 0.063 0.950 -3.706) 3.827 13.683 ( -2.583 -3.033 -9.612) 10.405 14.090 ( -15.356 4.994 -0.089) 16.148 14.131 ( -18.435 0.531 6.734) 19.633 14.244 ( -5.978 4.275 -7.022) 10.165 14.308 ( -7.259 0.748 3.768) 8.213 14.525 ( -7.420 0.857 -2.420) 7.851 14.713 ( -3.160 -15.464 -3.385) 16.142 14.948 ( -0.692 7.531 2.936) 8.112 14.981 ( -4.523 7.424 4.554) 9.814 15.102 ( -2.315 -9.220 9.216) 13.240 15.147 ( -7.179 -3.156 -0.516) 7.859 15.430 ( -7.185 1.689 0.389) 7.391 15.563 ( -2.168 -11.876 -1.224) 12.134 15.911 ( -8.522 6.655 -11.723) 15.948 16.002 ( -2.848 -3.318 -10.428) 11.308 16.301 ( -4.457 1.430 0.409) 4.699 16.354 ( -5.227 -3.434 -0.681) 6.291 16.701 ( 0.016 3.518 -1.554) 3.846 16.771 ( -0.231 -0.252 3.779) 3.794 16.840 ( 0.091 8.535 0.479) 8.549 17.036 ( 2.131 -8.779 6.102) 10.901 17.309 ( -9.521 2.878 7.412) 12.405 17.351 ( -2.471 2.810 7.394) 8.287 17.394 ( -8.961 -0.865 -3.025) 9.497 17.461 ( 0.018 -3.531 -3.222) 4.780 18.096 ( 1.066 8.578 -1.233) 8.731 18.227 ( -0.975 -5.740 -0.456) 5.840 18.563 ( 3.578 11.198 -3.379) 12.232 18.774 ( 9.506 -10.166 0.564) 13.929 24.760 ( -4.127 -0.133 0.373) 4.146 24.772 ( -4.746 -1.392 1.146) 5.077 25.104 ( -1.765 6.638 -0.460) 6.884 25.222 ( -1.789 -5.750 -0.516) 6.044 26.074 ( -5.974 1.880 2.338) 6.685 26.107 ( -5.259 -1.532 4.444) 7.054 26.490 ( -3.802 0.639 -5.473) 6.695 26.517 ( -3.922 -2.120 -4.351) 6.230 26.848 ( -4.209 5.578 -0.848) 7.039 26.952 ( -4.439 -5.397 0.563) 7.011 27.158 ( -0.463 0.589 9.135) 9.166 27.187 ( 0.064 -2.796 10.227) 10.603 27.717 ( -15.540 3.577 -3.951) 16.428 27.810 ( -17.101 -5.512 -5.896) 18.910 29.526 ( 21.783 15.762 -3.841) 27.160 29.759 ( 20.651 -9.352 -1.692) 22.733 ======================= Grid point 167 (98/159) ======================= q-point: (-0.15 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -27.647 28.282 7.458) 40.247 2.227 ( -27.357 25.816 12.790) 39.729 2.715 ( -23.810 -24.658 10.890) 35.966 2.752 ( -14.214 -30.074 8.910) 34.436 3.730 ( -30.718 49.493 17.065) 60.699 4.295 ( -6.003 -2.216 3.141) 7.128 4.478 ( 1.367 9.158 0.533) 9.275 4.731 ( -12.871 -6.909 14.427) 20.532 4.875 ( -2.084 -7.289 7.119) 10.400 5.023 ( 3.906 3.810 10.531) 11.860 5.068 ( 5.821 4.880 6.187) 9.796 5.312 ( -0.554 16.108 -1.118) 16.156 5.586 ( 13.420 -19.328 -6.487) 24.408 5.834 ( 4.929 -26.228 -6.284) 27.417 6.054 ( 3.946 13.203 -5.175) 14.720 6.367 ( -3.622 -15.836 -13.513) 21.130 6.719 ( 15.466 11.487 2.317) 19.404 6.832 ( -4.999 6.916 5.953) 10.405 6.950 ( 5.926 -10.110 3.670) 12.280 7.065 ( 14.818 -13.255 8.967) 21.811 7.386 ( 17.332 2.142 -1.236) 17.507 7.522 ( 14.328 -10.356 -2.297) 17.827 8.073 ( 17.024 10.424 3.485) 20.264 8.241 ( 18.075 -6.726 8.645) 21.135 8.783 ( 13.338 10.511 -0.512) 16.990 8.940 ( 3.424 1.536 0.052) 3.753 8.983 ( 8.134 -2.382 -5.411) 10.055 9.070 ( 11.355 -14.728 -2.838) 18.813 9.327 ( 5.728 7.550 1.269) 9.561 9.489 ( 10.633 -5.512 7.973) 14.388 9.694 ( 14.207 -3.032 2.811) 14.796 9.706 ( 6.271 -7.475 -3.537) 10.379 10.160 ( -3.103 5.124 0.763) 6.039 10.237 ( -1.917 -2.615 -0.776) 3.334 10.930 ( -5.848 9.662 1.257) 11.363 11.079 ( -6.499 -3.847 -1.995) 7.811 11.405 ( 2.501 5.357 4.004) 7.141 11.465 ( 0.338 8.417 -0.399) 8.433 11.500 ( -1.353 -4.432 7.113) 8.489 11.565 ( -0.602 -1.160 -0.635) 1.453 11.780 ( 0.652 -1.645 -1.042) 2.053 11.802 ( 1.151 -3.805 -0.564) 4.016 12.054 ( 1.575 5.028 -4.666) 7.038 12.118 ( -3.169 -0.865 -0.742) 3.368 12.438 ( -6.562 8.440 -5.082) 11.837 12.536 ( -4.757 -3.507 -6.681) 8.920 12.687 ( -9.107 4.453 -2.721) 10.496 12.830 ( -14.091 -7.367 -8.723) 18.136 13.449 ( -4.141 -1.493 -6.286) 7.674 13.470 ( -3.007 -1.908 -2.669) 4.450 13.543 ( -6.050 7.445 0.202) 9.596 13.706 ( -1.224 -6.261 1.507) 6.555 13.879 ( -3.299 1.677 3.829) 5.325 13.911 ( -2.348 -0.809 2.836) 3.770 14.115 ( -8.561 12.613 0.739) 15.262 14.297 ( -4.201 -5.708 3.285) 7.811 14.472 ( 4.584 4.490 -1.987) 6.717 14.657 ( 0.212 -12.139 -4.490) 12.945 14.902 ( -3.364 9.250 -0.233) 9.846 14.987 ( -2.885 2.969 -1.449) 4.386 15.008 ( -8.819 -1.056 -0.858) 8.924 15.088 ( -2.918 -6.556 -2.008) 7.452 15.419 ( -2.690 2.189 6.592) 7.448 15.548 ( -0.347 -7.436 1.697) 7.635 15.616 ( -10.243 5.276 -11.197) 16.066 15.783 ( -8.998 -12.520 -10.867) 18.863 16.249 ( -1.888 2.789 0.447) 3.398 16.323 ( 1.118 -3.745 -0.462) 3.935 16.565 ( -3.375 2.586 -9.935) 10.806 16.590 ( -5.106 -0.525 -7.885) 9.408 17.003 ( -0.167 4.496 5.843) 7.375 17.056 ( -2.722 0.367 1.776) 3.271 17.210 ( -8.153 -0.059 1.868) 8.365 17.231 ( -12.705 -1.782 1.470) 12.913 17.367 ( 1.813 5.943 -2.155) 6.577 17.493 ( 4.511 -6.314 -1.991) 8.011 18.180 ( 1.721 5.509 5.637) 8.068 18.299 ( 4.125 -6.620 10.744) 13.276 18.647 ( 9.992 19.946 1.864) 22.387 18.958 ( 11.799 -12.799 1.796) 17.500 24.708 ( -3.409 0.156 0.765) 3.497 24.723 ( -3.698 -1.522 1.705) 4.347 25.064 ( -2.424 6.509 -0.624) 6.974 25.180 ( -2.619 -5.599 -0.679) 6.219 26.024 ( -5.388 3.886 3.385) 7.456 26.114 ( -3.565 -5.714 6.351) 9.257 26.396 ( -1.602 1.881 -0.852) 2.613 26.439 ( -1.785 -2.671 -0.748) 3.298 26.744 ( -6.429 3.549 -1.840) 7.570 26.836 ( -9.949 -6.865 -0.876) 12.120 27.277 ( -4.991 2.654 6.554) 8.655 27.325 ( -4.836 -2.308 7.252) 9.017 27.436 ( -10.527 2.362 3.378) 11.305 27.516 ( -9.298 -5.075 2.741) 10.942 29.773 ( 21.745 16.673 -12.746) 30.221 29.998 ( 17.941 -8.303 -9.795) 22.062 ======================= Grid point 168 (99/159) ======================= q-point: (-0.08 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -16.147 30.300 17.384) 38.484 2.152 ( -9.683 28.583 24.134) 38.642 2.561 ( -15.293 -26.290 14.302) 33.609 2.769 ( -4.437 -32.623 17.426) 37.251 3.674 ( -16.945 49.927 35.392) 63.501 4.292 ( -3.024 -4.752 9.441) 10.994 4.515 ( 3.849 3.279 -3.438) 6.114 4.759 ( -9.260 -26.548 12.628) 30.823 4.936 ( -4.350 9.922 17.086) 20.231 5.132 ( -2.100 -2.876 12.923) 13.405 5.294 ( -0.210 10.817 2.740) 11.161 5.347 ( 11.105 22.024 -1.753) 24.727 5.550 ( 2.916 -7.719 -11.394) 14.068 5.830 ( 0.191 -22.958 -5.003) 23.498 6.116 ( 0.725 -0.313 -6.713) 6.759 6.279 ( 14.312 -16.401 8.403) 23.333 6.909 ( 0.789 11.331 13.220) 17.429 6.972 ( 11.770 12.605 3.022) 17.508 7.142 ( 2.474 -7.985 12.962) 15.424 7.341 ( 7.460 -13.847 4.334) 16.315 7.622 ( 13.206 -4.777 1.207) 14.095 7.681 ( 10.242 -7.447 -4.221) 13.347 8.289 ( 10.760 12.589 -3.952) 17.026 8.493 ( 7.792 -9.270 -0.477) 12.119 8.955 ( 1.761 3.309 -5.057) 6.295 8.959 ( 7.139 6.409 -1.953) 9.790 8.993 ( 4.459 1.449 -1.051) 4.805 9.140 ( -0.663 -2.859 0.236) 2.944 9.296 ( -6.999 4.274 -6.959) 10.755 9.546 ( -6.977 -16.830 -7.911) 19.862 9.776 ( 4.474 1.788 5.811) 7.549 9.860 ( -2.903 -4.273 5.643) 7.650 10.219 ( 10.743 6.276 -0.815) 12.469 10.316 ( 13.959 -3.458 -3.983) 14.922 10.850 ( -5.348 9.387 0.573) 10.819 10.934 ( -3.169 2.697 -2.685) 4.952 11.394 ( -8.076 1.639 2.892) 8.733 11.432 ( -6.609 2.755 0.400) 7.171 11.508 ( -1.296 -3.412 4.543) 5.828 11.589 ( -0.925 -4.689 0.669) 4.826 11.724 ( -3.843 0.693 -0.908) 4.009 11.764 ( -0.234 -2.650 -2.947) 3.970 12.045 ( 0.257 5.779 -6.723) 8.869 12.083 ( 9.243 1.431 -7.431) 11.946 12.331 ( -4.027 2.363 -3.793) 6.016 12.401 ( -2.193 -1.797 -6.657) 7.236 12.470 ( -7.831 4.200 -0.770) 8.920 12.610 ( -11.240 -7.453 2.148) 13.656 13.157 ( -10.400 5.986 -7.943) 14.390 13.334 ( -5.875 -11.075 -5.123) 13.543 13.546 ( -1.967 10.764 6.760) 12.862 13.739 ( -0.148 -7.418 4.895) 8.889 13.918 ( -0.541 11.216 -5.978) 12.721 14.037 ( 6.154 -3.600 1.830) 7.360 14.063 ( 2.475 8.831 6.071) 10.998 14.264 ( -0.276 -7.904 0.943) 7.965 14.530 ( -2.487 4.789 -5.939) 8.024 14.603 ( 2.949 -1.542 2.773) 4.332 14.855 ( -4.764 1.794 -1.266) 5.246 14.915 ( 2.396 5.422 -0.378) 5.940 14.920 ( -2.750 -6.293 2.392) 7.272 15.032 ( 0.625 -7.927 -6.124) 10.037 15.231 ( -10.810 7.372 -12.677) 18.218 15.380 ( -9.601 -2.871 -12.932) 16.360 15.536 ( -0.288 -2.852 0.254) 2.878 15.636 ( -2.843 -13.083 3.217) 13.769 16.251 ( 1.500 7.998 -0.087) 8.138 16.369 ( 2.274 -4.948 1.091) 5.553 16.444 ( -0.141 5.750 -3.062) 6.516 16.530 ( 4.194 -2.065 -0.694) 4.726 16.943 ( -6.691 4.267 -2.216) 8.239 17.007 ( -10.509 -3.156 -0.857) 11.006 17.097 ( -2.075 1.015 0.308) 2.330 17.113 ( -1.737 -0.270 0.219) 1.771 17.380 ( 1.479 7.273 -0.843) 7.469 17.534 ( 2.533 -7.319 -0.910) 7.798 18.273 ( -0.058 8.940 7.867) 11.909 18.440 ( -2.738 -8.041 8.912) 12.311 18.919 ( 16.011 11.660 3.484) 20.110 19.140 ( 8.794 -10.138 -0.123) 13.421 24.679 ( -1.883 0.717 1.495) 2.509 24.704 ( -2.023 -1.908 2.518) 3.752 25.021 ( -1.763 6.267 -0.775) 6.556 25.132 ( -1.965 -5.388 -0.946) 5.813 25.981 ( -4.308 4.757 1.963) 6.711 26.095 ( -3.789 -7.030 -0.093) 7.987 26.431 ( -0.156 0.594 1.637) 1.749 26.455 ( 2.231 -2.320 4.327) 5.393 26.626 ( -5.654 -0.358 -0.878) 5.733 26.656 ( -10.980 -5.193 3.253) 12.574 27.088 ( -10.309 2.779 -5.205) 11.878 27.134 ( -9.160 -1.969 -1.980) 9.577 27.609 ( 1.575 3.438 19.451) 19.815 27.692 ( 3.813 -4.879 20.124) 21.055 29.846 ( 14.083 15.673 -21.968) 30.439 30.041 ( 9.023 -6.487 -17.869) 21.043 ======================= Grid point 195 (100/159) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 0.792 0.000 46.451) 46.457 2.777 ( -6.561 0.000 43.166) 43.662 3.598 ( -0.940 0.000 17.279) 17.304 3.949 ( 2.820 0.000 1.744) 3.316 3.963 ( 10.083 0.000 40.892) 42.117 4.253 ( 2.194 0.000 -19.224) 19.348 4.478 ( 0.218 0.000 -20.194) 20.195 4.667 ( -4.977 0.000 -22.165) 22.717 4.795 ( -3.073 0.000 8.895) 9.411 5.051 ( 2.719 0.000 23.974) 24.128 5.493 ( 10.329 0.000 -0.451) 10.339 5.566 ( -1.841 0.000 7.135) 7.369 5.631 ( -1.433 0.000 4.358) 4.587 6.139 ( 1.142 0.000 -0.457) 1.230 6.590 ( -0.874 0.000 16.253) 16.276 6.873 ( -0.557 0.000 1.399) 1.506 7.188 ( -6.992 0.000 6.103) 9.281 7.222 ( 2.033 0.000 2.829) 3.483 7.303 ( -7.807 0.000 -7.237) 10.645 7.572 ( 11.259 0.000 -7.619) 13.595 7.765 ( -7.127 0.000 -0.274) 7.133 7.832 ( 5.482 0.000 5.934) 8.079 8.100 ( -3.901 0.000 -0.973) 4.020 8.357 ( -1.326 0.000 -4.133) 4.340 8.743 ( -12.378 0.000 -1.913) 12.525 8.754 ( 10.327 0.000 -3.233) 10.821 8.902 ( 4.317 0.000 1.013) 4.434 8.946 ( 4.329 0.000 -0.049) 4.329 9.288 ( 2.411 0.000 -4.332) 4.958 9.385 ( -14.552 0.000 -8.005) 16.609 9.860 ( -10.281 0.000 8.873) 13.581 10.155 ( -4.087 0.000 -1.692) 4.424 10.364 ( 9.070 0.000 -5.568) 10.643 10.383 ( 8.923 0.000 -2.000) 9.145 10.645 ( 17.440 0.000 8.548) 19.422 10.933 ( -13.236 0.000 -8.249) 15.596 11.119 ( -1.460 0.000 1.430) 2.043 11.205 ( -3.293 0.000 -1.993) 3.849 11.478 ( -7.649 0.000 8.092) 11.135 11.618 ( 0.452 0.000 -3.184) 3.215 11.684 ( 2.173 0.000 0.626) 2.261 11.718 ( -15.568 0.000 1.556) 15.645 11.956 ( 7.478 0.000 -5.252) 9.138 11.977 ( 5.779 0.000 3.966) 7.009 12.203 ( 9.649 0.000 -11.044) 14.665 12.212 ( -7.720 0.000 -1.503) 7.865 12.489 ( 2.094 0.000 -2.427) 3.206 12.559 ( -2.140 0.000 0.485) 2.194 12.982 ( -4.247 0.000 -4.097) 5.901 13.127 ( 3.606 0.000 -5.264) 6.380 13.649 ( 6.310 0.000 3.869) 7.401 13.669 ( -2.916 0.000 4.021) 4.967 13.893 ( -6.922 0.000 -4.093) 8.042 13.902 ( 1.262 0.000 -9.837) 9.918 14.100 ( 12.190 0.000 0.361) 12.195 14.134 ( 8.052 0.000 9.145) 12.185 14.306 ( -6.369 0.000 -8.366) 10.514 14.607 ( -6.600 0.000 -8.056) 10.414 14.824 ( 2.478 0.000 -0.751) 2.589 14.825 ( 6.724 0.000 -2.072) 7.036 14.893 ( -9.497 0.000 6.898) 11.738 15.029 ( 7.602 0.000 -0.871) 7.652 15.457 ( -2.616 0.000 9.326) 9.686 15.481 ( 3.050 0.000 4.501) 5.438 15.628 ( -5.309 0.000 -2.404) 5.828 15.848 ( 2.746 0.000 7.229) 7.733 16.026 ( -7.935 0.000 -1.632) 8.101 16.151 ( 0.727 0.000 -16.061) 16.077 16.339 ( 5.370 0.000 -1.213) 5.506 16.404 ( -1.332 0.000 -1.875) 2.300 16.561 ( 3.260 0.000 1.722) 3.687 16.746 ( -8.731 0.000 -5.983) 10.584 17.234 ( 6.288 0.000 2.667) 6.830 17.292 ( 2.665 0.000 3.375) 4.300 17.526 ( 3.476 0.000 1.570) 3.814 17.607 ( -5.517 0.000 1.013) 5.609 18.357 ( 4.085 0.000 11.039) 11.771 18.535 ( -7.423 0.000 2.787) 7.929 19.167 ( -2.413 0.000 -3.776) 4.481 19.190 ( 5.881 0.000 -4.653) 7.499 24.703 ( 0.788 0.000 1.477) 1.674 24.766 ( -0.078 0.000 -1.722) 1.724 24.951 ( 0.294 0.000 6.101) 6.108 25.157 ( -0.340 0.000 -3.466) 3.482 25.914 ( -0.774 0.000 1.895) 2.047 26.053 ( 2.994 0.000 -5.301) 6.088 26.339 ( -2.625 0.000 2.813) 3.848 26.518 ( -4.936 0.000 1.937) 5.303 26.541 ( -3.534 0.000 -6.787) 7.652 26.618 ( 4.353 0.000 -3.678) 5.698 27.168 ( 1.121 0.000 4.271) 4.416 27.344 ( -1.933 0.000 -3.555) 4.046 28.171 ( -6.668 0.000 14.467) 15.929 28.644 ( 5.013 0.000 23.631) 24.157 28.701 ( 9.527 0.000 -10.760) 14.371 29.549 ( -3.363 0.000 -21.182) 21.447 ======================= Grid point 196 (101/159) ======================= q-point: ( 0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -11.977 0.000 38.137) 39.973 3.283 ( 8.444 0.000 42.066) 42.905 3.792 ( 4.191 0.000 -4.759) 6.341 3.939 ( 6.312 0.000 -37.242) 37.773 3.972 ( 2.216 0.000 -3.101) 3.812 4.267 ( 7.389 0.000 -17.650) 19.134 4.331 ( -5.395 0.000 -4.550) 7.057 4.490 ( 7.304 0.000 7.543) 10.499 4.993 ( 2.589 0.000 22.125) 22.276 5.430 ( 9.356 0.000 19.547) 21.671 5.495 ( -6.285 0.000 -5.499) 8.351 5.602 ( 11.151 0.000 -18.542) 21.637 5.660 ( -6.569 0.000 19.744) 20.808 6.061 ( 0.814 0.000 -17.192) 17.211 6.644 ( -9.757 0.000 6.632) 11.798 6.827 ( -6.950 0.000 2.411) 7.357 7.002 ( -17.165 0.000 1.109) 17.201 7.079 ( -16.992 0.000 1.075) 17.026 7.264 ( -3.002 0.000 6.117) 6.814 7.582 ( 0.416 0.000 -8.879) 8.889 7.583 ( -15.201 0.000 8.278) 17.309 7.956 ( 4.380 0.000 0.192) 4.384 8.170 ( -0.956 0.000 8.278) 8.333 8.235 ( -4.169 0.000 -9.578) 10.446 8.532 ( -12.172 0.000 0.236) 12.174 8.847 ( 1.450 0.000 -2.390) 2.796 8.942 ( -1.082 0.000 -3.667) 3.823 8.957 ( 1.180 0.000 -4.888) 5.029 9.207 ( 4.476 0.000 4.572) 6.398 9.394 ( 5.938 0.000 2.824) 6.575 9.779 ( -14.590 0.000 10.689) 18.086 10.047 ( -4.816 0.000 -1.569) 5.066 10.339 ( -4.085 0.000 -7.640) 8.664 10.497 ( 10.992 0.000 -6.961) 13.011 10.671 ( -1.672 0.000 -0.511) 1.748 10.954 ( 6.792 0.000 8.585) 10.947 11.110 ( -5.770 0.000 1.271) 5.909 11.155 ( -3.674 0.000 -1.203) 3.866 11.413 ( -7.036 0.000 0.854) 7.087 11.446 ( -7.572 0.000 3.679) 8.418 11.649 ( -2.571 0.000 -3.150) 4.066 11.779 ( -3.063 0.000 9.010) 9.516 11.832 ( -6.532 0.000 -4.355) 7.850 12.106 ( 4.558 0.000 -0.132) 4.560 12.163 ( 9.203 0.000 -6.259) 11.129 12.361 ( 20.141 0.000 -1.776) 20.219 12.539 ( 3.552 0.000 -3.137) 4.739 12.617 ( 8.293 0.000 1.621) 8.450 12.975 ( 4.438 0.000 1.665) 4.740 13.118 ( 5.617 0.000 -8.118) 9.872 13.666 ( -0.600 0.000 0.491) 0.775 13.740 ( -0.752 0.000 -1.316) 1.516 13.824 ( 3.605 0.000 0.901) 3.716 13.904 ( 6.806 0.000 0.774) 6.849 14.088 ( -2.660 0.000 -8.130) 8.554 14.244 ( 0.368 0.000 -3.931) 3.948 14.364 ( 3.631 0.000 9.694) 10.352 14.436 ( 2.360 0.000 -8.540) 8.860 14.831 ( -0.134 0.000 5.603) 5.605 14.877 ( 7.933 0.000 -3.830) 8.809 14.909 ( 4.568 0.000 -3.512) 5.762 15.210 ( 12.498 0.000 1.249) 12.560 15.450 ( -10.247 0.000 -1.812) 10.406 15.535 ( -1.835 0.000 2.961) 3.484 15.597 ( -5.236 0.000 14.915) 15.808 15.891 ( -5.697 0.000 0.870) 5.763 15.940 ( 0.547 0.000 3.101) 3.149 15.966 ( 0.680 0.000 -14.764) 14.780 16.352 ( -0.303 0.000 -3.525) 3.538 16.439 ( 7.270 0.000 0.383) 7.281 16.555 ( -6.915 0.000 -5.387) 8.766 16.699 ( 5.915 0.000 6.901) 9.090 17.280 ( -0.120 0.000 -4.948) 4.950 17.359 ( 5.712 0.000 0.891) 5.781 17.542 ( -1.310 0.000 -0.623) 1.451 17.656 ( 5.734 0.000 3.482) 6.709 18.406 ( -10.009 0.000 -0.621) 10.028 18.552 ( 4.828 0.000 9.646) 10.786 19.054 ( -6.582 0.000 -3.170) 7.306 19.194 ( 1.317 0.000 -3.023) 3.297 24.750 ( 2.937 0.000 1.217) 3.180 24.759 ( 1.958 0.000 -1.835) 2.684 25.041 ( 1.491 0.000 6.150) 6.328 25.119 ( 1.738 0.000 -4.769) 5.076 25.958 ( 3.345 0.000 2.152) 3.978 26.071 ( 7.294 0.000 -5.158) 8.933 26.371 ( -1.995 0.000 5.601) 5.945 26.459 ( 2.170 0.000 -3.998) 4.549 26.525 ( 4.040 0.000 3.273) 5.200 26.672 ( 6.264 0.000 -2.574) 6.772 27.257 ( 3.292 0.000 4.819) 5.837 27.283 ( -0.069 0.000 -3.870) 3.871 28.211 ( -9.745 0.000 13.247) 16.445 28.654 ( 3.442 0.000 -13.577) 14.006 28.968 ( 0.788 0.000 22.083) 22.097 29.199 ( -7.223 0.000 -22.552) 23.680 ======================= Grid point 197 (102/159) ======================= q-point: ( 0.15 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( -6.872 0.000 29.002) 29.805 3.384 ( -2.136 0.000 -36.620) 36.683 3.622 ( 14.418 0.000 -38.981) 41.562 3.887 ( 4.777 0.000 28.252) 28.653 4.043 ( 2.397 0.000 1.065) 2.623 4.255 ( 12.573 0.000 -9.517) 15.769 4.542 ( 15.373 0.000 15.728) 21.993 4.595 ( 6.846 0.000 -1.768) 7.071 5.015 ( -20.417 0.000 1.048) 20.444 5.197 ( -13.448 0.000 -12.965) 18.680 5.545 ( 8.800 0.000 -17.454) 19.547 5.617 ( 1.056 0.000 5.921) 6.014 5.828 ( 8.402 0.000 -26.638) 27.932 5.984 ( 6.355 0.000 16.789) 17.952 6.557 ( -14.368 0.000 11.691) 18.523 6.740 ( -6.114 0.000 -1.362) 6.264 6.769 ( -20.116 0.000 5.990) 20.989 6.792 ( -13.834 0.000 -6.795) 15.412 7.162 ( -18.015 0.000 5.968) 18.978 7.368 ( -5.904 0.000 -14.633) 15.779 7.559 ( -7.507 0.000 8.418) 11.280 7.930 ( -11.840 0.000 7.025) 13.767 8.127 ( 7.524 0.000 -6.835) 10.165 8.163 ( -10.186 0.000 4.220) 11.025 8.383 ( -10.500 0.000 2.346) 10.759 8.680 ( -11.268 0.000 -0.374) 11.274 8.886 ( -1.119 0.000 -5.968) 6.072 8.998 ( 5.155 0.000 1.389) 5.339 9.413 ( -7.305 0.000 5.021) 8.865 9.441 ( 6.853 0.000 7.229) 9.961 9.671 ( -15.344 0.000 9.142) 17.861 9.976 ( -7.502 0.000 -3.674) 8.353 10.135 ( -1.435 0.000 -7.300) 7.440 10.520 ( 6.348 0.000 -8.607) 10.695 10.827 ( 12.033 0.000 -1.302) 12.103 10.999 ( -1.951 0.000 -1.711) 2.595 11.080 ( -6.106 0.000 11.500) 13.021 11.110 ( -2.484 0.000 3.995) 4.704 11.351 ( -3.990 0.000 -1.210) 4.169 11.376 ( -4.860 0.000 -1.207) 5.008 11.676 ( 7.485 0.000 4.362) 8.663 11.701 ( -5.964 0.000 8.583) 10.452 11.836 ( -5.815 0.000 4.388) 7.284 12.114 ( 4.673 0.000 -9.962) 11.004 12.288 ( 12.008 0.000 -0.722) 12.030 12.441 ( 6.915 0.000 -11.997) 13.848 12.717 ( 1.890 0.000 1.447) 2.380 12.811 ( 16.751 0.000 12.801) 21.082 13.137 ( 11.960 0.000 2.911) 12.310 13.200 ( 11.918 0.000 0.546) 11.930 13.660 ( 1.148 0.000 -2.817) 3.042 13.720 ( 0.886 0.000 -1.881) 2.079 13.829 ( -3.332 0.000 2.354) 4.080 14.007 ( -0.324 0.000 -1.822) 1.851 14.100 ( -2.738 0.000 -7.583) 8.062 14.135 ( 12.999 0.000 -0.698) 13.017 14.382 ( 1.195 0.000 -2.627) 2.886 14.431 ( -6.003 0.000 4.157) 7.302 14.910 ( 3.126 0.000 -3.160) 4.445 14.985 ( 12.562 0.000 -5.502) 13.714 15.077 ( 15.841 0.000 8.247) 17.859 15.272 ( -10.875 0.000 2.974) 11.274 15.352 ( 3.932 0.000 -3.522) 5.279 15.532 ( -0.659 0.000 1.756) 1.875 15.619 ( -4.631 0.000 1.810) 4.972 15.789 ( 1.551 0.000 -13.049) 13.140 15.944 ( 0.750 0.000 12.014) 12.037 16.004 ( 1.537 0.000 3.696) 4.003 16.308 ( -0.883 0.000 -2.347) 2.508 16.428 ( -1.964 0.000 -2.775) 3.400 16.545 ( 4.881 0.000 1.178) 5.021 16.870 ( 3.544 0.000 7.714) 8.489 17.241 ( 4.252 0.000 -4.750) 6.376 17.392 ( 2.033 0.000 -3.668) 4.193 17.603 ( 7.357 0.000 1.246) 7.462 17.736 ( 1.227 0.000 1.005) 1.586 18.243 ( -7.974 0.000 -2.245) 8.284 18.710 ( 4.118 0.000 0.593) 4.161 18.903 ( -7.909 0.000 0.389) 7.919 19.159 ( -1.979 0.000 -2.244) 2.992 24.777 ( 3.195 0.000 -1.995) 3.767 24.815 ( 3.796 0.000 0.683) 3.857 25.093 ( 2.944 0.000 -5.480) 6.221 25.135 ( 0.905 0.000 5.758) 5.829 26.065 ( 6.498 0.000 2.616) 7.005 26.144 ( 9.800 0.000 -5.018) 11.010 26.387 ( -2.344 0.000 3.870) 4.524 26.496 ( 6.112 0.000 -1.797) 6.371 26.733 ( 5.222 0.000 -2.505) 5.791 26.734 ( 12.325 0.000 8.132) 14.766 27.254 ( 2.371 0.000 -3.735) 4.424 27.389 ( 6.196 0.000 5.009) 7.967 28.204 ( -10.223 0.000 11.947) 15.724 28.483 ( -3.282 0.000 -14.849) 15.208 28.804 ( -7.501 0.000 -22.585) 23.798 29.194 ( -4.343 0.000 19.585) 20.060 ======================= Grid point 198 (103/159) ======================= q-point: ( 0.23 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 12.859 0.000 -29.421) 32.108 3.416 ( 19.422 0.000 -32.273) 37.667 3.642 ( 1.027 0.000 17.271) 17.302 3.860 ( -19.492 0.000 -5.641) 20.292 4.168 ( 5.888 0.000 -0.094) 5.889 4.392 ( 5.453 0.000 1.212) 5.586 4.591 ( -14.288 0.000 -10.707) 17.854 4.709 ( 10.400 0.000 -4.035) 11.155 4.848 ( -0.717 0.000 -0.881) 1.136 5.131 ( 19.663 0.000 10.160) 22.133 5.552 ( 10.329 0.000 0.155) 10.331 5.637 ( -6.415 0.000 1.347) 6.555 5.675 ( 9.069 0.000 -25.065) 26.655 5.998 ( -12.487 0.000 -5.341) 13.582 6.328 ( -18.692 0.000 -13.187) 22.875 6.423 ( -14.826 0.000 -4.050) 15.370 6.602 ( -5.085 0.000 6.503) 8.255 6.763 ( 2.546 0.000 0.243) 2.558 6.932 ( -16.383 0.000 2.938) 16.644 7.180 ( -4.642 0.000 -4.060) 6.167 7.449 ( -13.225 0.000 0.576) 13.238 7.821 ( -14.577 0.000 5.509) 15.583 7.956 ( -17.476 0.000 -2.177) 17.611 8.210 ( 10.119 0.000 -8.511) 13.222 8.260 ( -13.683 0.000 10.636) 17.331 8.556 ( -7.653 0.000 3.000) 8.220 8.798 ( -2.537 0.000 -3.328) 4.185 9.050 ( -3.431 0.000 0.918) 3.552 9.396 ( -6.083 0.000 10.422) 12.068 9.471 ( -6.805 0.000 4.239) 8.017 9.514 ( -13.073 0.000 -0.251) 13.075 9.700 ( -15.006 0.000 -3.774) 15.473 10.189 ( 10.789 0.000 -2.240) 11.019 10.597 ( 9.429 0.000 -1.007) 9.482 10.832 ( 0.551 0.000 -8.373) 8.391 10.965 ( -5.205 0.000 -0.407) 5.220 10.999 ( -9.721 0.000 -0.744) 9.749 11.051 ( -8.016 0.000 -1.552) 8.165 11.376 ( 1.818 0.000 2.076) 2.759 11.393 ( 6.956 0.000 3.258) 7.681 11.748 ( -6.324 0.000 3.705) 7.330 11.808 ( 0.957 0.000 2.117) 2.323 11.907 ( 6.921 0.000 15.973) 17.408 12.059 ( 4.194 0.000 -7.441) 8.542 12.478 ( 7.749 0.000 3.810) 8.635 12.513 ( 14.496 0.000 -0.253) 14.498 12.736 ( 1.011 0.000 0.323) 1.062 13.142 ( 6.949 0.000 6.693) 9.648 13.344 ( 8.227 0.000 1.986) 8.463 13.444 ( 12.187 0.000 5.398) 13.329 13.586 ( -3.035 0.000 -8.631) 9.149 13.725 ( 6.068 0.000 -3.880) 7.203 13.818 ( -11.218 0.000 -7.555) 13.525 13.846 ( -2.379 0.000 6.610) 7.025 14.061 ( 9.235 0.000 -1.067) 9.297 14.310 ( -3.796 0.000 -2.376) 4.478 14.394 ( 11.665 0.000 3.362) 12.140 14.503 ( 5.301 0.000 8.344) 9.886 14.922 ( 0.813 0.000 1.076) 1.349 15.050 ( 1.194 0.000 -5.215) 5.350 15.228 ( 2.285 0.000 1.186) 2.574 15.298 ( 6.567 0.000 -11.231) 13.010 15.419 ( 11.042 0.000 7.837) 13.541 15.508 ( -3.354 0.000 1.616) 3.723 15.581 ( 1.631 0.000 1.128) 1.983 15.759 ( 2.085 0.000 0.244) 2.099 16.107 ( 5.953 0.000 4.520) 7.474 16.121 ( -1.108 0.000 14.786) 14.828 16.277 ( 0.276 0.000 -0.319) 0.422 16.438 ( 5.303 0.000 -0.806) 5.364 16.613 ( 3.317 0.000 -0.630) 3.376 16.960 ( -1.105 0.000 3.374) 3.550 17.321 ( 8.855 0.000 0.389) 8.863 17.384 ( 1.768 0.000 -1.286) 2.186 17.742 ( 9.301 0.000 -0.748) 9.331 17.743 ( 0.190 0.000 -0.476) 0.512 18.118 ( -3.171 0.000 -4.195) 5.258 18.560 ( -8.382 0.000 -12.302) 14.886 18.938 ( 3.158 0.000 3.910) 5.026 19.074 ( -4.768 0.000 -3.253) 5.772 24.805 ( 3.459 0.000 -2.131) 4.062 24.876 ( 3.369 0.000 0.124) 3.372 25.080 ( 3.741 0.000 -4.934) 6.192 25.201 ( -0.869 0.000 5.095) 5.168 26.209 ( 7.297 0.000 2.955) 7.873 26.238 ( 9.761 0.000 -4.988) 10.962 26.407 ( -0.564 0.000 3.058) 3.109 26.569 ( 5.211 0.000 -1.939) 5.560 26.763 ( 3.759 0.000 -3.776) 5.328 27.050 ( 12.834 0.000 9.844) 16.174 27.265 ( 4.892 0.000 -3.860) 6.232 27.576 ( 10.383 0.000 4.879) 11.472 28.196 ( -9.079 0.000 -15.519) 17.980 28.205 ( -8.365 0.000 12.344) 14.912 28.457 ( -3.722 0.000 -19.734) 20.082 29.306 ( -9.103 0.000 16.235) 18.613 ======================= Grid point 199 (104/159) ======================= q-point: ( 0.31 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( 25.651 0.000 -13.233) 28.863 3.393 ( 23.215 0.000 -26.173) 34.985 3.395 ( -23.549 0.000 -6.837) 24.521 3.829 ( -3.716 0.000 13.390) 13.896 4.125 ( -21.445 0.000 4.384) 21.888 4.233 ( 6.866 0.000 -5.023) 8.507 4.613 ( 17.571 0.000 -22.566) 28.600 4.801 ( 1.359 0.000 -5.054) 5.233 4.864 ( 13.809 0.000 1.283) 13.869 5.412 ( -17.710 0.000 -2.024) 17.826 5.471 ( 2.931 0.000 -22.347) 22.539 5.547 ( 19.778 0.000 0.266) 19.780 5.706 ( -8.496 0.000 -5.648) 10.203 5.852 ( 8.645 0.000 14.823) 17.160 6.036 ( -2.359 0.000 -12.497) 12.717 6.053 ( -16.216 0.000 -9.824) 18.960 6.684 ( -6.039 0.000 9.589) 11.332 6.740 ( 3.419 0.000 -10.860) 11.386 6.758 ( -3.859 0.000 -2.851) 4.797 7.081 ( -6.507 0.000 -0.170) 6.509 7.256 ( -11.399 0.000 5.438) 12.629 7.568 ( -17.297 0.000 -5.866) 18.265 7.619 ( -18.553 0.000 -5.005) 19.216 8.126 ( -2.978 0.000 -8.389) 8.902 8.289 ( -4.905 0.000 12.880) 13.782 8.480 ( -5.403 0.000 -0.128) 5.404 8.729 ( -3.524 0.000 -0.154) 3.528 8.870 ( -14.297 0.000 -3.757) 14.782 9.280 ( -9.600 0.000 -6.989) 11.875 9.351 ( -9.404 0.000 0.116) 9.405 9.489 ( 1.112 0.000 4.573) 4.706 9.557 ( -7.108 0.000 5.513) 8.995 10.365 ( 11.793 0.000 1.153) 11.849 10.596 ( -17.821 0.000 5.451) 18.636 10.702 ( -6.156 0.000 -6.155) 8.705 10.777 ( -6.441 0.000 -0.714) 6.481 10.942 ( -8.501 0.000 7.736) 11.494 10.977 ( 9.487 0.000 -10.417) 14.090 11.386 ( -1.500 0.000 -0.570) 1.605 11.559 ( 9.910 0.000 -0.439) 9.920 11.755 ( 2.332 0.000 4.739) 5.282 11.766 ( -3.577 0.000 -3.626) 5.093 12.082 ( 3.915 0.000 -1.009) 4.042 12.170 ( 4.036 0.000 9.876) 10.669 12.511 ( -3.798 0.000 -2.558) 4.579 12.794 ( 3.732 0.000 -1.977) 4.224 12.849 ( 14.583 0.000 15.047) 20.954 13.095 ( -3.265 0.000 -16.309) 16.633 13.402 ( 0.488 0.000 -1.704) 1.772 13.508 ( 3.369 0.000 2.636) 4.278 13.562 ( -8.973 0.000 -9.094) 12.776 13.633 ( 1.704 0.000 5.780) 6.026 13.837 ( 9.326 0.000 1.010) 9.381 13.910 ( 4.459 0.000 2.907) 5.323 14.228 ( -3.260 0.000 2.194) 3.930 14.361 ( 19.852 0.000 7.110) 21.087 14.551 ( 3.764 0.000 -5.900) 6.998 14.642 ( -3.407 0.000 12.296) 12.759 14.981 ( 2.049 0.000 4.368) 4.825 15.055 ( 4.952 0.000 10.042) 11.196 15.324 ( 12.020 0.000 -10.302) 15.831 15.357 ( 11.891 0.000 0.168) 11.892 15.493 ( 0.730 0.000 0.305) 0.792 15.536 ( -1.761 0.000 9.393) 9.557 15.779 ( -0.792 0.000 1.014) 1.287 15.803 ( 7.893 0.000 13.044) 15.246 16.181 ( -6.303 0.000 7.412) 9.730 16.284 ( 7.655 0.000 5.506) 9.430 16.384 ( 4.219 0.000 9.309) 10.221 16.509 ( 7.654 0.000 -8.733) 11.612 16.653 ( 1.720 0.000 4.917) 5.209 16.911 ( -5.607 0.000 -2.988) 6.353 17.432 ( 2.667 0.000 3.063) 4.061 17.484 ( 7.760 0.000 4.141) 8.795 17.731 ( 0.032 0.000 -3.912) 3.912 17.844 ( 5.440 0.000 -2.439) 5.962 18.045 ( 3.306 0.000 -7.673) 8.355 18.286 ( -4.807 0.000 -11.931) 12.863 18.939 ( -5.989 0.000 -4.800) 7.675 19.000 ( 2.763 0.000 -2.120) 3.482 24.832 ( 3.159 0.000 -1.820) 3.646 24.919 ( 2.283 0.000 -0.330) 2.306 25.096 ( 4.850 0.000 -3.249) 5.837 25.230 ( -2.827 0.000 4.420) 5.246 26.314 ( 7.684 0.000 -4.957) 9.144 26.343 ( 4.910 0.000 2.914) 5.710 26.439 ( 0.216 0.000 2.319) 2.329 26.589 ( 3.257 0.000 -5.391) 6.298 26.780 ( 4.537 0.000 -3.378) 5.657 27.301 ( 5.880 0.000 -4.422) 7.357 27.314 ( 7.207 0.000 4.963) 8.751 27.751 ( 3.787 0.000 -5.103) 6.355 27.950 ( 0.721 0.000 -3.371) 3.448 28.224 ( 2.050 0.000 -13.023) 13.183 28.235 ( -8.322 0.000 13.082) 15.505 29.310 ( -12.456 0.000 12.157) 17.406 ======================= Grid point 200 (105/159) ======================= q-point: ( 0.38 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -7.842 0.000 2.848) 8.343 3.432 ( 25.573 0.000 -0.213) 25.574 3.456 ( 8.375 0.000 -7.974) 11.564 3.765 ( -10.476 0.000 5.127) 11.663 4.087 ( 4.128 0.000 4.211) 5.897 4.236 ( 1.131 0.000 -5.384) 5.502 4.477 ( 6.963 0.000 -23.567) 24.574 4.757 ( -0.535 0.000 -5.153) 5.181 5.124 ( 18.434 0.000 -4.863) 19.065 5.191 ( -7.864 0.000 -0.936) 7.919 5.260 ( 4.705 0.000 -21.546) 22.054 5.479 ( -18.794 0.000 -8.985) 20.831 5.605 ( -1.317 0.000 -1.501) 1.997 5.840 ( 0.335 0.000 -2.516) 2.538 5.886 ( -0.037 0.000 -9.734) 9.734 6.125 ( 4.835 0.000 3.464) 5.947 6.547 ( -6.038 0.000 -1.667) 6.264 6.678 ( 3.301 0.000 -5.778) 6.654 6.728 ( -7.312 0.000 -1.331) 7.432 6.935 ( -5.870 0.000 -8.347) 10.205 7.197 ( -12.854 0.000 -14.037) 19.033 7.265 ( -6.866 0.000 5.126) 8.568 7.411 ( 2.325 0.000 6.370) 6.780 7.970 ( -2.977 0.000 -8.556) 9.059 8.352 ( -6.153 0.000 -6.603) 9.025 8.393 ( -6.151 0.000 17.404) 18.459 8.658 ( -9.579 0.000 3.544) 10.213 8.699 ( -2.500 0.000 3.387) 4.210 9.090 ( -2.441 0.000 -8.483) 8.827 9.214 ( -7.228 0.000 -0.782) 7.270 9.452 ( -8.813 0.000 -2.658) 9.205 9.560 ( 3.510 0.000 0.346) 3.527 10.332 ( -17.239 0.000 1.463) 17.301 10.499 ( -13.854 0.000 1.487) 13.934 10.543 ( 8.365 0.000 -0.871) 8.410 10.712 ( -9.178 0.000 8.332) 12.396 10.980 ( -1.440 0.000 10.110) 10.212 10.999 ( 10.299 0.000 -11.876) 15.720 11.330 ( -3.491 0.000 -1.583) 3.834 11.624 ( -1.369 0.000 -7.442) 7.566 11.675 ( 2.947 0.000 -2.632) 3.951 11.886 ( 1.865 0.000 5.857) 6.146 12.113 ( 4.638 0.000 -4.487) 6.453 12.264 ( -2.304 0.000 3.635) 4.304 12.380 ( -4.999 0.000 -6.857) 8.486 12.736 ( 1.673 0.000 -8.271) 8.438 12.826 ( -2.211 0.000 -15.252) 15.412 13.226 ( 2.324 0.000 -4.043) 4.664 13.342 ( -0.003 0.000 9.056) 9.056 13.383 ( 1.971 0.000 -2.584) 3.250 13.637 ( 3.841 0.000 4.746) 6.106 13.739 ( 2.665 0.000 9.944) 10.295 13.953 ( 2.894 0.000 1.241) 3.149 14.096 ( 15.343 0.000 -0.714) 15.360 14.263 ( -2.629 0.000 11.222) 11.526 14.485 ( -1.929 0.000 -0.556) 2.008 14.560 ( -3.576 0.000 4.113) 5.450 14.876 ( 12.621 0.000 13.056) 18.159 15.057 ( -0.287 0.000 5.310) 5.317 15.365 ( 8.050 0.000 15.311) 17.298 15.397 ( 8.989 0.000 -5.154) 10.361 15.476 ( 2.654 0.000 -0.180) 2.660 15.596 ( 9.355 0.000 1.832) 9.533 15.666 ( 1.754 0.000 9.634) 9.792 15.796 ( 3.284 0.000 3.700) 4.948 16.063 ( 4.042 0.000 15.131) 15.661 16.181 ( -5.706 0.000 8.901) 10.572 16.397 ( 2.643 0.000 -8.891) 9.275 16.457 ( 5.430 0.000 -5.944) 8.050 16.558 ( 1.197 0.000 11.764) 11.825 16.726 ( -8.364 0.000 -8.438) 11.881 16.831 ( 4.366 0.000 14.422) 15.069 17.479 ( -1.196 0.000 -1.211) 1.702 17.583 ( -4.596 0.000 -13.420) 14.185 17.634 ( 4.004 0.000 4.611) 6.107 17.874 ( 1.753 0.000 2.298) 2.890 18.031 ( 8.621 0.000 -11.554) 14.416 18.210 ( 5.215 0.000 -2.031) 5.596 18.787 ( -4.821 0.000 -5.872) 7.598 18.960 ( -0.285 0.000 -7.804) 7.809 24.859 ( 2.558 0.000 -0.922) 2.719 24.939 ( 1.068 0.000 -0.629) 1.239 25.151 ( 5.891 0.000 -1.487) 6.076 25.224 ( -4.488 0.000 3.953) 5.981 26.361 ( 6.172 0.000 -4.441) 7.604 26.421 ( 0.715 0.000 2.618) 2.714 26.455 ( -1.165 0.000 0.887) 1.464 26.566 ( 4.845 0.000 -7.890) 9.258 26.820 ( 4.530 0.000 -1.822) 4.883 27.291 ( -5.406 0.000 -8.171) 9.797 27.328 ( 4.428 0.000 -4.562) 6.358 27.717 ( 3.252 0.000 -7.777) 8.430 27.936 ( 3.119 0.000 -1.389) 3.414 28.243 ( -10.625 0.000 11.760) 15.849 28.364 ( 16.789 0.000 5.203) 17.577 29.223 ( -14.194 0.000 7.859) 16.225 ======================= Grid point 201 (106/159) ======================= q-point: ( 0.46 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 10.866 0.000 9.457) 14.405 3.387 ( -18.146 0.000 13.336) 22.520 3.747 ( 5.182 0.000 4.735) 7.019 3.825 ( 17.309 0.000 -7.753) 18.966 4.160 ( 2.270 0.000 -8.178) 8.487 4.213 ( -2.349 0.000 5.672) 6.140 4.308 ( 12.004 0.000 -23.622) 26.497 4.636 ( -3.433 0.000 -8.406) 9.080 5.061 ( -6.322 0.000 -11.189) 12.852 5.144 ( 3.785 0.000 1.178) 3.964 5.163 ( -5.472 0.000 -5.946) 8.080 5.315 ( 15.108 0.000 -10.530) 18.416 5.511 ( -6.439 0.000 -2.282) 6.832 5.705 ( -11.305 0.000 1.625) 11.421 5.845 ( 4.889 0.000 -1.633) 5.154 6.091 ( -12.487 0.000 -7.827) 14.737 6.405 ( -0.743 0.000 -4.679) 4.738 6.634 ( -4.576 0.000 -11.386) 12.271 6.678 ( 3.943 0.000 -2.884) 4.886 6.736 ( -0.334 0.000 -11.405) 11.409 6.951 ( 0.562 0.000 -3.909) 3.950 7.148 ( -6.160 0.000 -5.899) 8.529 7.655 ( 7.032 0.000 8.835) 11.291 7.839 ( -3.116 0.000 -5.083) 5.962 8.239 ( -0.186 0.000 2.104) 2.112 8.486 ( -6.591 0.000 12.499) 14.130 8.664 ( -0.488 0.000 8.790) 8.803 8.739 ( -0.571 0.000 6.901) 6.924 8.994 ( 1.560 0.000 -6.730) 6.908 9.103 ( -4.040 0.000 -3.044) 5.058 9.264 ( -8.690 0.000 -3.961) 9.550 9.601 ( 5.399 0.000 -4.931) 7.312 10.166 ( -5.854 0.000 2.248) 6.271 10.317 ( -9.774 0.000 1.821) 9.943 10.630 ( 2.538 0.000 0.462) 2.580 10.703 ( -5.869 0.000 9.287) 10.986 10.999 ( 4.327 0.000 -7.022) 8.248 11.119 ( 3.116 0.000 8.871) 9.402 11.253 ( -3.169 0.000 -2.299) 3.915 11.485 ( -2.770 0.000 -6.392) 6.966 11.689 ( 3.016 0.000 -3.166) 4.373 11.866 ( -6.256 0.000 -1.986) 6.563 12.139 ( 8.800 0.000 -8.236) 12.053 12.174 ( -8.913 0.000 -6.211) 10.864 12.210 ( -4.163 0.000 -2.858) 5.049 12.644 ( 0.309 0.000 -13.518) 13.521 12.788 ( 10.062 0.000 -1.019) 10.113 12.994 ( -7.094 0.000 -10.598) 12.753 13.427 ( 5.588 0.000 0.261) 5.594 13.534 ( 1.852 0.000 3.071) 3.586 13.749 ( 4.347 0.000 4.032) 5.929 13.964 ( 1.767 0.000 -4.387) 4.729 13.989 ( 3.026 0.000 21.560) 21.771 14.295 ( 6.815 0.000 7.151) 9.878 14.395 ( 4.254 0.000 2.629) 5.001 14.502 ( -8.415 0.000 2.927) 8.909 14.535 ( -1.791 0.000 15.085) 15.191 15.088 ( -4.344 0.000 5.705) 7.171 15.158 ( 6.735 0.000 6.534) 9.384 15.426 ( 1.710 0.000 -3.832) 4.197 15.490 ( -0.435 0.000 -0.923) 1.020 15.589 ( 0.326 0.000 11.167) 11.171 15.702 ( 2.024 0.000 0.668) 2.132 15.747 ( 1.476 0.000 3.637) 3.926 16.060 ( 11.324 0.000 11.469) 16.117 16.212 ( -4.264 0.000 8.391) 9.412 16.239 ( 4.804 0.000 -19.537) 20.119 16.321 ( 5.133 0.000 12.733) 13.729 16.503 ( 1.438 0.000 1.937) 2.413 16.505 ( -5.093 0.000 -5.703) 7.647 16.681 ( -4.190 0.000 10.574) 11.374 17.083 ( 3.022 0.000 15.352) 15.647 17.335 ( -7.044 0.000 -9.272) 11.644 17.364 ( -1.797 0.000 -10.729) 10.878 17.701 ( -1.472 0.000 2.360) 2.781 17.963 ( 4.711 0.000 -7.547) 8.896 18.024 ( 3.912 0.000 3.417) 5.194 18.318 ( 7.461 0.000 1.447) 7.600 18.661 ( -1.425 0.000 -6.839) 6.986 18.803 ( -4.163 0.000 -12.175) 12.867 24.887 ( 1.731 0.000 -0.111) 1.734 24.938 ( -0.003 0.000 -0.811) 0.811 25.190 ( -5.875 0.000 3.769) 6.981 25.232 ( 5.834 0.000 -0.729) 5.879 26.413 ( -3.925 0.000 -0.900) 4.026 26.414 ( 7.241 0.000 -3.593) 8.083 26.432 ( -3.292 0.000 2.314) 4.024 26.556 ( 5.750 0.000 -7.098) 9.135 26.870 ( 3.831 0.000 -0.726) 3.899 27.094 ( -6.289 0.000 -7.277) 9.618 27.325 ( 1.218 0.000 -3.020) 3.256 27.574 ( -3.334 0.000 -10.918) 11.415 28.113 ( 13.548 0.000 3.430) 13.975 28.188 ( -12.261 0.000 8.679) 15.022 28.710 ( 17.168 0.000 6.872) 18.493 29.067 ( -15.116 0.000 3.845) 15.597 ======================= Grid point 202 (107/159) ======================= q-point: (-0.46 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -14.598 0.000 10.694) 18.096 3.501 ( -3.047 0.000 5.231) 6.054 3.665 ( -5.198 0.000 1.719) 5.475 3.947 ( -20.288 0.000 0.699) 20.300 4.031 ( 15.736 0.000 -10.611) 18.979 4.139 ( 11.438 0.000 -12.084) 16.639 4.426 ( 16.598 0.000 -6.959) 17.998 4.469 ( -7.965 0.000 -5.823) 9.866 4.860 ( -13.831 0.000 5.031) 14.718 5.113 ( -9.844 0.000 -10.593) 14.461 5.218 ( 16.282 0.000 -4.336) 16.849 5.275 ( 10.290 0.000 -9.523) 14.020 5.501 ( -17.322 0.000 1.557) 17.392 5.681 ( 17.115 0.000 8.534) 19.125 5.851 ( -1.614 0.000 -0.325) 1.646 5.974 ( 8.494 0.000 2.503) 8.855 6.355 ( -7.059 0.000 -9.037) 11.467 6.394 ( 0.558 0.000 -1.375) 1.484 6.602 ( -0.674 0.000 -9.408) 9.432 6.627 ( 1.384 0.000 -12.642) 12.717 6.959 ( -9.565 0.000 -3.391) 10.149 7.063 ( 8.559 0.000 3.815) 9.371 7.755 ( -0.496 0.000 1.976) 2.037 7.756 ( -2.226 0.000 -1.872) 2.908 8.413 ( 11.382 0.000 7.348) 13.547 8.463 ( -7.408 0.000 1.714) 7.604 8.824 ( 5.691 0.000 8.959) 10.614 8.827 ( 1.852 0.000 4.739) 5.088 8.970 ( 2.546 0.000 -1.749) 3.089 9.019 ( -0.407 0.000 -5.917) 5.931 9.155 ( -3.426 0.000 3.925) 5.210 9.608 ( 7.446 0.000 -10.320) 12.725 10.231 ( 7.989 0.000 5.607) 9.760 10.274 ( 3.149 0.000 -0.100) 3.150 10.650 ( -3.262 0.000 4.336) 5.426 10.709 ( -5.525 0.000 2.797) 6.193 11.003 ( 2.727 0.000 2.117) 3.452 11.171 ( -3.725 0.000 0.048) 3.726 11.230 ( 2.236 0.000 -1.185) 2.530 11.408 ( 2.037 0.000 -5.914) 6.255 11.714 ( 1.409 0.000 2.018) 2.461 11.755 ( -4.220 0.000 0.436) 4.243 12.002 ( -4.258 0.000 -4.694) 6.337 12.145 ( -2.249 0.000 3.129) 3.854 12.177 ( 9.059 0.000 -8.801) 12.630 12.505 ( 4.467 0.000 -14.319) 14.999 12.798 ( -6.957 0.000 -4.449) 8.258 12.927 ( 9.634 0.000 -2.137) 9.868 13.521 ( -2.078 0.000 -2.918) 3.582 13.533 ( 5.757 0.000 1.223) 5.885 13.833 ( 1.546 0.000 1.838) 2.402 13.916 ( -1.128 0.000 -4.470) 4.610 14.260 ( -1.632 0.000 17.081) 17.159 14.381 ( -8.040 0.000 -0.242) 8.044 14.417 ( -0.610 0.000 -1.277) 1.415 14.498 ( 6.830 0.000 6.010) 9.098 14.746 ( -2.241 0.000 21.638) 21.753 15.008 ( -11.947 0.000 -0.090) 11.948 15.272 ( -1.009 0.000 7.154) 7.225 15.369 ( -2.398 0.000 -3.265) 4.051 15.461 ( -0.885 0.000 0.158) 0.899 15.664 ( -2.705 0.000 2.992) 4.034 15.708 ( -3.337 0.000 3.663) 4.955 15.793 ( -0.780 0.000 -0.110) 0.787 16.058 ( 2.311 0.000 -8.725) 9.026 16.216 ( -5.927 0.000 3.944) 7.120 16.260 ( -2.282 0.000 -12.649) 12.853 16.316 ( 4.685 0.000 -0.240) 4.691 16.626 ( 8.499 0.000 9.068) 12.428 16.642 ( -6.251 0.000 7.955) 10.117 16.728 ( 8.349 0.000 12.863) 15.335 17.025 ( -9.425 0.000 -12.299) 15.495 17.315 ( 1.352 0.000 1.757) 2.217 17.325 ( 1.195 0.000 10.935) 11.000 17.638 ( -7.802 0.000 -0.553) 7.821 17.834 ( 0.129 0.000 -15.244) 15.244 18.202 ( 1.230 0.000 14.821) 14.872 18.455 ( 7.584 0.000 1.513) 7.733 18.550 ( -7.384 0.000 -14.048) 15.871 18.569 ( 1.093 0.000 -8.829) 8.896 24.908 ( 0.914 0.000 0.281) 0.956 24.920 ( -0.898 0.000 -1.005) 1.348 25.135 ( -7.058 0.000 3.708) 7.973 25.302 ( 4.466 0.000 -1.096) 4.599 26.323 ( -5.939 0.000 -0.664) 5.976 26.381 ( -6.133 0.000 1.605) 6.339 26.484 ( 7.492 0.000 -4.701) 8.845 26.579 ( 6.005 0.000 -3.922) 7.172 26.922 ( 2.954 0.000 0.911) 3.091 26.931 ( -5.875 0.000 -4.263) 7.258 27.302 ( -2.218 0.000 1.191) 2.518 27.404 ( -4.195 0.000 -6.920) 8.092 28.083 ( -11.628 0.000 4.886) 12.613 28.369 ( 15.545 0.000 0.526) 15.554 28.850 ( -16.270 0.000 0.210) 16.271 29.047 ( 16.917 0.000 5.251) 17.713 ======================= Grid point 203 (108/159) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( -31.287 0.000 -0.258) 31.288 3.181 ( -12.021 0.000 4.727) 12.917 3.537 ( -24.779 0.000 -2.405) 24.895 3.727 ( -3.017 0.000 5.042) 5.876 4.142 ( 4.426 0.000 -4.513) 6.322 4.221 ( -0.491 0.000 -5.244) 5.267 4.334 ( 11.364 0.000 -8.206) 14.017 4.567 ( 6.188 0.000 -0.903) 6.254 4.735 ( -15.017 0.000 7.433) 16.755 4.786 ( -19.849 0.000 -5.226) 20.525 5.117 ( -3.728 0.000 -0.208) 3.734 5.334 ( 12.320 0.000 -6.665) 14.008 5.686 ( 17.458 0.000 -2.073) 17.581 5.918 ( -5.789 0.000 -6.976) 9.065 5.920 ( 8.079 0.000 1.149) 8.161 6.084 ( 17.977 0.000 11.241) 21.202 6.384 ( 0.343 0.000 4.723) 4.736 6.479 ( 14.046 0.000 3.196) 14.405 6.547 ( 6.154 0.000 1.528) 6.341 6.559 ( 1.309 0.000 -1.617) 2.081 6.783 ( -6.518 0.000 0.543) 6.540 7.269 ( 16.369 0.000 0.180) 16.370 7.702 ( -3.028 0.000 -2.150) 3.714 7.757 ( -0.744 0.000 1.525) 1.696 8.349 ( -3.789 0.000 -3.083) 4.884 8.660 ( 11.716 0.000 1.045) 11.763 8.909 ( 5.746 0.000 0.328) 5.755 8.937 ( -0.005 0.000 -6.827) 6.827 8.959 ( 4.162 0.000 1.765) 4.521 9.094 ( 7.351 0.000 7.578) 10.557 9.234 ( 1.551 0.000 8.799) 8.935 9.586 ( 9.381 0.000 -13.984) 16.839 10.403 ( 14.596 0.000 -2.100) 14.747 10.487 ( 9.569 0.000 3.869) 10.321 10.608 ( -3.839 0.000 1.744) 4.216 10.628 ( -8.248 0.000 6.387) 10.432 11.131 ( 5.280 0.000 5.183) 7.399 11.166 ( 5.658 0.000 -6.166) 8.369 11.219 ( -3.943 0.000 9.278) 10.081 11.391 ( 4.620 0.000 -5.589) 7.252 11.723 ( -0.291 0.000 -0.960) 1.003 11.782 ( 1.464 0.000 5.748) 5.931 11.914 ( -2.135 0.000 -2.569) 3.340 12.197 ( 4.197 0.000 -4.691) 6.294 12.260 ( 4.480 0.000 11.339) 12.192 12.478 ( 11.766 0.000 -10.044) 15.470 12.637 ( -9.583 0.000 -2.621) 9.935 13.043 ( 9.510 0.000 -2.407) 9.810 13.425 ( -3.196 0.000 -4.884) 5.837 13.608 ( 3.165 0.000 -1.220) 3.392 13.821 ( -3.124 0.000 -5.136) 6.011 13.848 ( -1.292 0.000 0.892) 1.570 14.156 ( -15.185 0.000 0.171) 15.186 14.325 ( -4.921 0.000 -7.608) 9.061 14.427 ( 2.124 0.000 3.607) 4.186 14.631 ( 2.060 0.000 3.809) 4.331 14.747 ( -15.710 0.000 -4.697) 16.397 14.908 ( -8.967 0.000 15.631) 18.021 15.302 ( -6.583 0.000 5.105) 8.331 15.312 ( -1.271 0.000 -0.408) 1.335 15.500 ( -2.352 0.000 11.290) 11.532 15.530 ( -4.644 0.000 -12.934) 13.743 15.721 ( -1.258 0.000 5.265) 5.413 15.725 ( -5.711 0.000 -2.340) 6.172 15.996 ( -12.135 0.000 -11.144) 16.475 16.121 ( 4.126 0.000 9.097) 9.989 16.155 ( -1.734 0.000 -5.113) 5.399 16.311 ( -1.733 0.000 -0.922) 1.963 16.586 ( -1.720 0.000 -2.666) 3.172 16.730 ( -6.443 0.000 -12.388) 13.963 16.920 ( 11.003 0.000 10.305) 15.075 17.069 ( 7.481 0.000 16.905) 18.487 17.348 ( -1.871 0.000 -2.539) 3.154 17.385 ( -1.378 0.000 -3.906) 4.142 17.496 ( -9.784 0.000 5.991) 11.472 17.646 ( -5.163 0.000 -6.593) 8.374 18.239 ( -10.268 0.000 -13.337) 16.832 18.397 ( -0.723 0.000 14.399) 14.417 18.461 ( -0.697 0.000 -8.392) 8.421 18.606 ( 9.018 0.000 1.845) 9.204 24.886 ( -1.755 0.000 -1.287) 2.176 24.920 ( 0.181 0.000 0.252) 0.311 25.063 ( -7.807 0.000 3.418) 8.522 25.340 ( 2.568 0.000 -1.545) 2.997 26.226 ( -6.550 0.000 0.795) 6.598 26.300 ( -7.151 0.000 3.068) 7.781 26.520 ( 4.575 0.000 -4.811) 6.639 26.620 ( 4.873 0.000 -4.804) 6.843 26.805 ( -6.041 0.000 -1.626) 6.256 26.994 ( 2.664 0.000 4.444) 5.181 27.279 ( -4.514 0.000 -2.814) 5.319 27.308 ( -3.327 0.000 7.664) 8.355 27.960 ( -8.766 0.000 1.350) 8.869 28.567 ( -18.178 0.000 -3.024) 18.427 28.585 ( 14.514 0.000 -3.827) 15.010 29.358 ( 17.555 0.000 2.167) 17.688 ======================= Grid point 204 (109/159) ======================= q-point: (-0.31 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -36.885 0.000 6.749) 37.497 2.837 ( -38.381 0.000 3.445) 38.535 3.374 ( 9.625 0.000 -4.326) 10.552 3.714 ( -11.369 0.000 11.711) 16.322 3.961 ( -27.913 0.000 3.893) 28.184 4.041 ( -12.123 0.000 -1.301) 12.192 4.392 ( -21.055 0.000 2.642) 21.220 4.474 ( 5.567 0.000 0.327) 5.577 4.636 ( 1.656 0.000 2.475) 2.978 4.666 ( -2.296 0.000 10.810) 11.051 5.264 ( 10.472 0.000 6.233) 12.186 5.517 ( 7.369 0.000 1.408) 7.502 5.748 ( 6.553 0.000 -6.354) 9.128 5.786 ( 5.359 0.000 -6.527) 8.445 6.000 ( 9.524 0.000 -11.704) 15.089 6.394 ( -13.804 0.000 -2.238) 13.984 6.510 ( 16.971 0.000 10.796) 20.114 6.587 ( 11.943 0.000 -7.729) 14.226 6.711 ( 16.267 0.000 19.144) 25.122 6.801 ( 10.646 0.000 3.975) 11.364 7.018 ( 20.146 0.000 13.889) 24.470 7.539 ( 6.307 0.000 -7.400) 9.723 7.611 ( 9.077 0.000 -1.344) 9.176 7.785 ( 0.851 0.000 2.972) 3.092 8.364 ( 10.165 0.000 1.334) 10.253 8.778 ( 7.816 0.000 -4.842) 9.194 8.884 ( 1.940 0.000 -2.878) 3.470 9.044 ( 4.817 0.000 -2.211) 5.300 9.045 ( 12.212 0.000 0.519) 12.223 9.292 ( 8.234 0.000 4.771) 9.517 9.373 ( 3.939 0.000 6.783) 7.843 9.595 ( 12.335 0.000 -10.404) 16.137 10.361 ( -13.300 0.000 -1.403) 13.373 10.516 ( -9.990 0.000 5.908) 11.607 10.689 ( 17.181 0.000 0.332) 17.184 10.831 ( 11.781 0.000 3.470) 12.281 11.103 ( -2.219 0.000 -4.356) 4.889 11.222 ( 3.998 0.000 -2.242) 4.584 11.410 ( 4.089 0.000 -4.100) 5.790 11.432 ( 10.782 0.000 8.416) 13.678 11.742 ( 5.035 0.000 -1.255) 5.189 11.878 ( -1.053 0.000 2.291) 2.522 11.880 ( 0.359 0.000 5.425) 5.437 12.215 ( 0.442 0.000 1.952) 2.001 12.419 ( -10.210 0.000 -3.669) 10.849 12.477 ( 4.254 0.000 11.119) 11.905 12.607 ( 11.732 0.000 -2.102) 11.919 13.170 ( 7.849 0.000 -0.017) 7.849 13.349 ( -0.117 0.000 -1.914) 1.917 13.563 ( -2.635 0.000 -6.392) 6.914 13.734 ( -0.071 0.000 -5.340) 5.340 13.801 ( -8.441 0.000 0.434) 8.453 13.940 ( -7.382 0.000 -1.474) 7.528 14.063 ( -9.941 0.000 -15.484) 18.401 14.448 ( -11.749 0.000 -0.247) 11.752 14.475 ( -2.785 0.000 -2.514) 3.751 14.595 ( -12.663 0.000 -0.704) 12.682 14.889 ( -6.102 0.000 7.521) 9.685 15.205 ( -8.988 0.000 0.650) 9.012 15.241 ( -1.739 0.000 -11.448) 11.579 15.339 ( -10.849 0.000 2.070) 11.045 15.545 ( -5.783 0.000 -9.268) 10.924 15.605 ( -11.283 0.000 -1.767) 11.421 15.632 ( -4.952 0.000 -1.276) 5.113 15.806 ( 0.195 0.000 6.671) 6.674 16.071 ( -1.335 0.000 -2.972) 3.258 16.257 ( -2.822 0.000 -0.630) 2.892 16.338 ( 3.026 0.000 5.267) 6.074 16.513 ( -1.513 0.000 -6.034) 6.221 16.582 ( 2.956 0.000 0.995) 3.119 17.090 ( -10.946 0.000 -7.953) 13.530 17.153 ( 2.657 0.000 -19.740) 19.918 17.246 ( 2.806 0.000 12.727) 13.032 17.410 ( 7.231 0.000 9.995) 12.336 17.512 ( -6.134 0.000 11.286) 12.845 17.534 ( -8.156 0.000 2.707) 8.593 17.929 ( -11.150 0.000 -9.067) 14.371 18.265 ( -4.766 0.000 -12.007) 12.919 18.590 ( -2.852 0.000 17.492) 17.722 18.783 ( 10.649 0.000 2.202) 10.874 24.835 ( -2.681 0.000 -1.474) 3.059 24.918 ( -0.625 0.000 -0.168) 0.647 24.981 ( -7.542 0.000 3.052) 8.137 25.346 ( 0.592 0.000 -1.540) 1.650 26.144 ( -6.751 0.000 2.467) 7.187 26.265 ( -4.985 0.000 7.884) 9.328 26.493 ( -1.186 0.000 -4.868) 5.010 26.609 ( 3.152 0.000 -6.289) 7.035 26.702 ( -6.277 0.000 0.290) 6.283 27.121 ( 3.506 0.000 8.714) 9.393 27.192 ( -4.579 0.000 -0.066) 4.579 27.388 ( -2.152 0.000 11.627) 11.824 27.859 ( -4.718 0.000 -0.102) 4.719 28.219 ( -20.084 0.000 -5.090) 20.719 28.709 ( 11.011 0.000 -8.908) 14.163 29.635 ( 18.042 0.000 -2.398) 18.201 ======================= Grid point 205 (110/159) ======================= q-point: (-0.23 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -36.665 0.000 19.246) 41.409 2.241 ( -42.211 0.000 6.543) 42.715 3.522 ( -33.795 0.000 25.938) 42.601 3.642 ( 11.324 0.000 4.265) 12.100 3.645 ( -19.166 0.000 15.499) 24.649 3.896 ( -9.119 0.000 5.769) 10.791 4.209 ( -12.503 0.000 8.223) 14.965 4.552 ( 2.149 0.000 8.315) 8.588 4.759 ( -6.879 0.000 14.634) 16.170 4.789 ( 11.602 0.000 -1.422) 11.688 5.409 ( -9.834 0.000 -5.990) 11.515 5.449 ( -0.467 0.000 9.375) 9.386 5.894 ( 20.665 0.000 -3.395) 20.942 6.024 ( 17.875 0.000 1.957) 17.982 6.042 ( 14.875 0.000 -10.448) 18.178 6.211 ( -13.443 0.000 10.635) 17.142 6.544 ( 3.222 0.000 -18.124) 18.408 6.816 ( 10.511 0.000 2.116) 10.721 7.015 ( 13.300 0.000 1.753) 13.415 7.151 ( 18.088 0.000 7.354) 19.526 7.407 ( -3.434 0.000 -0.659) 3.497 7.582 ( 26.334 0.000 14.742) 30.179 7.846 ( 1.323 0.000 3.863) 4.084 7.873 ( 20.001 0.000 -1.467) 20.055 8.650 ( 18.763 0.000 -0.142) 18.764 8.828 ( 6.965 0.000 -5.123) 8.646 8.931 ( 2.561 0.000 4.173) 4.896 9.002 ( 2.550 0.000 -13.308) 13.550 9.320 ( 21.194 0.000 2.169) 21.305 9.485 ( 10.655 0.000 4.528) 11.577 9.537 ( 10.928 0.000 2.807) 11.282 9.715 ( 12.727 0.000 -4.234) 13.413 10.129 ( -15.227 0.000 0.367) 15.231 10.402 ( -13.235 0.000 6.105) 14.575 10.897 ( -2.638 0.000 -8.581) 8.978 10.915 ( -0.452 0.000 3.395) 3.425 11.079 ( 13.235 0.000 -3.088) 13.590 11.215 ( 0.554 0.000 -3.731) 3.772 11.401 ( 1.316 0.000 -0.917) 1.604 11.603 ( 8.860 0.000 -5.503) 10.429 11.794 ( 4.280 0.000 -2.924) 5.183 11.888 ( 0.514 0.000 -2.395) 2.449 11.976 ( 3.090 0.000 3.999) 5.053 12.166 ( -6.010 0.000 -0.571) 6.037 12.402 ( -1.069 0.000 11.202) 11.253 12.675 ( 2.926 0.000 15.132) 15.412 12.697 ( -1.087 0.000 -1.611) 1.943 13.082 ( -14.865 0.000 -15.539) 21.504 13.381 ( 3.441 0.000 1.376) 3.706 13.536 ( -1.626 0.000 -1.931) 2.524 13.567 ( 1.714 0.000 -6.314) 6.543 13.636 ( -6.684 0.000 -1.930) 6.957 13.831 ( -0.445 0.000 -6.973) 6.988 13.912 ( 0.689 0.000 0.821) 1.072 14.235 ( -14.727 0.000 6.426) 16.068 14.249 ( -22.499 0.000 -5.652) 23.198 14.454 ( 1.047 0.000 -4.906) 5.016 14.924 ( -1.610 0.000 3.028) 3.429 15.045 ( -18.552 0.000 -8.896) 20.575 15.069 ( -7.595 0.000 -1.752) 7.795 15.107 ( -1.293 0.000 -4.096) 4.295 15.236 ( -10.157 0.000 -12.625) 16.204 15.463 ( 0.322 0.000 1.192) 1.234 15.694 ( -0.476 0.000 2.575) 2.619 15.828 ( -1.962 0.000 -1.988) 2.794 16.109 ( 0.254 0.000 10.294) 10.297 16.111 ( -7.511 0.000 -14.930) 16.712 16.303 ( -0.260 0.000 -3.858) 3.866 16.384 ( -3.306 0.000 -8.630) 9.241 16.816 ( -0.979 0.000 -10.620) 10.665 16.823 ( -8.977 0.000 -7.959) 11.997 16.842 ( 4.207 0.000 1.750) 4.556 17.390 ( -9.373 0.000 1.082) 9.436 17.489 ( -8.225 0.000 -2.019) 8.469 17.541 ( -3.387 0.000 5.564) 6.514 17.572 ( 6.798 0.000 11.627) 13.468 17.797 ( -0.636 0.000 8.446) 8.470 18.095 ( -1.983 0.000 0.520) 2.050 18.740 ( -2.721 0.000 14.877) 15.124 18.978 ( 11.166 0.000 1.352) 11.247 24.772 ( -3.281 0.000 -0.985) 3.426 24.895 ( -1.567 0.000 -0.791) 1.755 24.913 ( -6.115 0.000 3.441) 7.017 25.322 ( -1.304 0.000 -1.383) 1.901 26.070 ( -7.318 0.000 3.120) 7.955 26.354 ( 0.578 0.000 11.731) 11.746 26.374 ( -5.262 0.000 -5.343) 7.499 26.580 ( 2.855 0.000 -5.922) 6.574 26.617 ( -6.097 0.000 1.532) 6.286 27.135 ( -3.979 0.000 1.549) 4.270 27.272 ( 0.326 0.000 5.438) 5.448 27.490 ( -1.846 0.000 9.819) 9.991 27.832 ( -5.259 0.000 6.286) 8.196 27.876 ( -12.253 0.000 -2.334) 12.473 28.704 ( 5.622 0.000 -12.710) 13.898 29.839 ( 16.183 0.000 -8.539) 18.298 ======================= Grid point 206 (111/159) ======================= q-point: (-0.15 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -24.097 0.000 30.340) 38.746 2.033 ( -28.319 0.000 34.184) 44.390 3.348 ( -37.538 0.000 44.473) 58.198 3.532 ( -18.341 0.000 15.452) 23.982 3.868 ( -6.845 0.000 8.649) 11.030 4.043 ( 21.553 0.000 8.950) 23.337 4.201 ( -3.631 0.000 12.095) 12.629 4.780 ( 9.998 0.000 12.597) 16.083 4.799 ( -10.730 0.000 15.481) 18.836 4.921 ( 12.270 0.000 -6.558) 13.912 5.162 ( -11.183 0.000 -7.675) 13.563 5.501 ( -6.087 0.000 10.553) 12.183 6.025 ( -2.715 0.000 -24.944) 25.091 6.044 ( 6.366 0.000 -3.441) 7.236 6.227 ( -7.635 0.000 20.886) 22.238 6.428 ( 30.824 0.000 4.604) 31.166 6.523 ( 13.301 0.000 0.695) 13.319 6.940 ( 5.345 0.000 2.244) 5.797 7.234 ( 15.286 0.000 -1.282) 15.340 7.418 ( 14.588 0.000 -5.736) 15.675 7.492 ( 6.232 0.000 7.330) 9.621 7.890 ( -0.588 0.000 2.010) 2.095 8.094 ( 20.379 0.000 6.210) 21.305 8.173 ( 16.712 0.000 1.400) 16.771 8.803 ( 1.840 0.000 -15.201) 15.312 8.811 ( 9.376 0.000 -6.529) 11.425 8.893 ( 2.553 0.000 -5.944) 6.469 9.009 ( -3.190 0.000 5.566) 6.415 9.634 ( 11.773 0.000 -4.549) 12.621 9.745 ( 10.121 0.000 8.515) 13.227 9.806 ( 21.514 0.000 0.259) 21.516 9.811 ( 6.128 0.000 -6.009) 8.583 9.947 ( -4.066 0.000 -0.662) 4.119 10.274 ( -7.745 0.000 3.156) 8.364 10.602 ( -15.984 0.000 -6.381) 17.211 10.849 ( -8.206 0.000 5.285) 9.761 11.198 ( -0.341 0.000 -0.491) 0.598 11.340 ( 15.979 0.000 0.516) 15.987 11.448 ( 5.879 0.000 -2.116) 6.248 11.631 ( 9.675 0.000 -10.396) 14.202 11.829 ( 1.822 0.000 -0.699) 1.952 11.880 ( -1.014 0.000 0.275) 1.051 11.910 ( -7.591 0.000 -6.172) 9.784 12.099 ( 0.444 0.000 -1.904) 1.955 12.427 ( -13.816 0.000 1.821) 13.935 12.459 ( -26.577 0.000 -14.800) 30.420 12.589 ( -5.106 0.000 3.443) 6.158 12.939 ( -1.293 0.000 12.151) 12.220 13.369 ( -2.691 0.000 -6.925) 7.429 13.398 ( -7.357 0.000 -2.821) 7.879 13.600 ( -8.972 0.000 -6.329) 10.980 13.601 ( -0.532 0.000 3.260) 3.303 13.800 ( 7.987 0.000 4.841) 9.340 13.925 ( -0.946 0.000 1.173) 1.507 13.993 ( -0.842 0.000 -2.468) 2.607 14.180 ( -4.960 0.000 3.830) 6.266 14.417 ( 3.665 0.000 -0.168) 3.669 14.596 ( -17.053 0.000 -11.550) 20.596 14.887 ( -6.275 0.000 1.065) 6.364 14.930 ( -6.701 0.000 -1.046) 6.782 15.058 ( -1.184 0.000 -5.338) 5.467 15.166 ( 5.584 0.000 3.774) 6.740 15.533 ( 2.282 0.000 5.137) 5.621 15.624 ( -5.807 0.000 -5.890) 8.271 15.669 ( -15.030 0.000 -22.863) 27.361 15.775 ( -2.126 0.000 -0.339) 2.153 16.189 ( -1.201 0.000 -3.683) 3.874 16.283 ( 0.665 0.000 -0.794) 1.036 16.304 ( 2.323 0.000 4.058) 4.676 16.544 ( -3.272 0.000 -14.482) 14.847 16.653 ( -3.955 0.000 -3.361) 5.190 17.026 ( 4.995 0.000 2.784) 5.718 17.203 ( -11.713 0.000 -3.244) 12.154 17.280 ( -11.587 0.000 -1.495) 11.683 17.541 ( -3.357 0.000 3.263) 4.681 17.667 ( -2.159 0.000 2.699) 3.456 17.965 ( 3.794 0.000 11.036) 11.670 18.328 ( 11.091 0.000 14.285) 18.086 18.891 ( 4.330 0.000 9.524) 10.463 19.139 ( 8.662 0.000 -0.974) 8.717 24.718 ( -2.893 0.000 0.262) 2.905 24.852 ( -2.222 0.000 -1.314) 2.581 24.880 ( -4.238 0.000 4.485) 6.171 25.274 ( -2.542 0.000 -1.535) 2.969 25.994 ( -6.882 0.000 2.713) 7.398 26.226 ( -4.879 0.000 -5.406) 7.282 26.467 ( -2.094 0.000 2.115) 2.976 26.560 ( 3.576 0.000 -5.287) 6.383 26.584 ( -1.993 0.000 5.804) 6.136 27.109 ( -2.586 0.000 2.632) 3.690 27.125 ( -13.113 0.000 -9.306) 16.080 27.501 ( -6.148 0.000 2.175) 6.522 27.892 ( 4.937 0.000 16.518) 17.240 27.941 ( -1.111 0.000 13.598) 13.643 28.622 ( 4.269 0.000 -10.075) 10.942 29.906 ( 10.361 0.000 -14.858) 18.114 ======================= Grid point 207 (112/159) ======================= q-point: (-0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -13.148 0.000 44.297) 46.207 2.242 ( 1.596 0.000 45.618) 45.646 3.463 ( -20.617 0.000 50.420) 54.472 3.488 ( -11.574 0.000 16.717) 20.333 3.889 ( -1.885 0.000 6.110) 6.394 4.307 ( 3.351 0.000 4.348) 5.489 4.469 ( 13.799 0.000 7.449) 15.681 4.828 ( -5.002 0.000 8.063) 9.488 4.892 ( 5.847 0.000 -15.506) 16.572 4.905 ( -12.749 0.000 0.953) 12.785 5.196 ( 17.397 0.000 10.054) 20.093 5.563 ( -6.202 0.000 15.009) 16.240 5.660 ( -2.556 0.000 -19.829) 19.993 6.102 ( 3.225 0.000 0.159) 3.229 6.384 ( -5.834 0.000 23.164) 23.887 6.765 ( 10.044 0.000 4.749) 11.110 6.958 ( 22.673 0.000 8.893) 24.355 7.076 ( 5.906 0.000 5.775) 8.261 7.452 ( 13.974 0.000 -2.445) 14.187 7.458 ( 5.811 0.000 -13.404) 14.609 7.674 ( 5.297 0.000 6.599) 8.462 7.848 ( -4.206 0.000 -2.005) 4.659 8.269 ( 1.280 0.000 -8.886) 8.978 8.361 ( 5.756 0.000 -0.373) 5.768 8.679 ( 4.805 0.000 -7.243) 8.692 8.861 ( 1.561 0.000 -2.788) 3.195 8.865 ( 7.121 0.000 -3.633) 7.994 8.937 ( -9.541 0.000 -0.249) 9.545 9.473 ( -13.567 0.000 -7.789) 15.644 9.674 ( -7.409 0.000 -9.409) 11.976 9.864 ( -3.801 0.000 6.960) 7.931 10.106 ( 17.819 0.000 -5.005) 18.509 10.180 ( 23.336 0.000 1.052) 23.360 10.294 ( 1.288 0.000 2.374) 2.701 10.412 ( -8.293 0.000 8.148) 11.626 10.891 ( 4.472 0.000 7.494) 8.727 11.159 ( -3.444 0.000 -0.748) 3.524 11.477 ( -0.133 0.000 0.951) 0.961 11.528 ( 8.627 0.000 -2.457) 8.970 11.563 ( -11.261 0.000 -15.283) 18.984 11.739 ( -6.862 0.000 -3.325) 7.625 11.814 ( 12.359 0.000 -3.203) 12.768 11.862 ( -2.800 0.000 3.041) 4.133 12.059 ( -12.746 0.000 -1.319) 12.814 12.171 ( -0.830 0.000 4.454) 4.531 12.206 ( 3.538 0.000 -9.179) 9.837 12.582 ( -5.632 0.000 5.738) 8.040 12.786 ( -21.356 0.000 -5.867) 22.148 13.166 ( -8.647 0.000 -6.343) 10.724 13.204 ( -3.538 0.000 -8.103) 8.841 13.548 ( -0.197 0.000 3.472) 3.478 13.644 ( -2.941 0.000 7.374) 7.939 13.938 ( 5.824 0.000 -4.014) 7.073 13.940 ( 3.791 0.000 6.134) 7.211 14.020 ( -0.038 0.000 -2.965) 2.965 14.074 ( -1.852 0.000 -8.655) 8.851 14.378 ( 1.128 0.000 -2.584) 2.819 14.605 ( 5.547 0.000 11.564) 12.825 14.823 ( -1.276 0.000 -8.185) 8.284 14.826 ( -2.639 0.000 1.002) 2.822 14.982 ( -7.893 0.000 2.829) 8.385 15.137 ( -11.365 0.000 -11.727) 16.330 15.357 ( 4.295 0.000 3.303) 5.418 15.469 ( -7.220 0.000 0.693) 7.253 15.691 ( 6.543 0.000 5.623) 8.627 15.721 ( -1.603 0.000 -4.198) 4.494 16.121 ( -0.665 0.000 -4.005) 4.060 16.288 ( 1.919 0.000 -3.166) 3.702 16.348 ( -0.881 0.000 -12.201) 12.233 16.391 ( 1.511 0.000 2.801) 3.182 16.585 ( -1.929 0.000 -2.981) 3.551 16.965 ( -10.105 0.000 -5.768) 11.635 17.123 ( 3.894 0.000 2.233) 4.489 17.185 ( -2.786 0.000 6.790) 7.340 17.521 ( -1.751 0.000 0.271) 1.772 17.657 ( -4.163 0.000 3.319) 5.324 18.160 ( 4.264 0.000 10.838) 11.647 18.543 ( -0.778 0.000 7.644) 7.683 19.091 ( 11.720 0.000 -0.615) 11.736 19.206 ( 3.253 0.000 -3.223) 4.579 24.692 ( -1.513 0.000 1.202) 1.933 24.802 ( -1.798 0.000 -1.592) 2.401 24.893 ( -1.999 0.000 5.530) 5.881 25.213 ( -2.222 0.000 -2.251) 3.163 25.932 ( -4.558 0.000 2.100) 5.018 26.108 ( -1.588 0.000 -5.393) 5.622 26.396 ( -5.340 0.000 -0.628) 5.376 26.566 ( 4.807 0.000 -4.561) 6.627 26.585 ( -5.546 0.000 2.330) 6.016 26.795 ( -12.127 0.000 -9.485) 15.396 27.119 ( -0.836 0.000 3.477) 3.576 27.423 ( -3.675 0.000 -2.041) 4.203 28.070 ( -2.768 0.000 13.991) 14.262 28.260 ( 6.849 0.000 23.667) 24.638 28.640 ( 10.610 0.000 -7.252) 12.852 29.800 ( 2.777 0.000 -18.908) 19.111 ======================= Grid point 208 (113/159) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -2.104 -3.447 42.009) 42.202 2.880 ( -1.448 9.787 40.720) 41.905 3.364 ( -1.763 -20.475 17.432) 26.948 3.774 ( 3.086 -14.690 7.426) 16.747 4.089 ( 2.934 -9.863 -9.056) 13.708 4.217 ( 6.275 0.239 -8.071) 10.227 4.339 ( -2.764 5.453 2.541) 6.621 4.733 ( 1.122 3.829 -20.922) 21.299 4.861 ( -4.265 5.944 4.485) 8.581 5.159 ( 0.907 5.819 17.658) 18.614 5.400 ( 2.305 10.024 18.836) 21.462 5.737 ( -2.739 5.937 7.476) 9.932 5.900 ( 7.208 13.634 4.235) 15.993 6.112 ( 0.177 -1.129 3.182) 3.382 6.531 ( 0.881 -6.091 16.046) 17.186 6.784 ( 0.192 -8.385 -2.481) 8.746 7.050 ( 0.653 -5.983 7.057) 9.275 7.238 ( -1.051 1.658 1.539) 2.494 7.355 ( -10.091 0.687 -1.249) 10.191 7.649 ( 4.341 3.632 -6.473) 8.599 7.685 ( 7.888 -7.228 5.062) 11.835 7.773 ( -4.692 0.527 -3.196) 5.701 8.178 ( 6.163 5.143 -0.468) 8.041 8.372 ( -8.312 2.374 -5.337) 10.160 8.712 ( -0.133 -4.501 -0.534) 4.534 8.787 ( -3.067 0.959 -4.300) 5.368 8.903 ( -2.640 3.354 0.868) 4.355 9.006 ( 7.820 4.165 -1.868) 9.054 9.240 ( -3.460 -4.578 2.009) 6.080 9.380 ( -8.840 -1.924 -6.490) 11.135 9.824 ( -9.867 -2.667 4.240) 11.066 10.140 ( 15.316 -17.239 -6.562) 23.975 10.221 ( -4.361 5.750 -0.085) 7.217 10.321 ( 6.392 -2.168 -1.745) 6.972 10.779 ( 6.788 8.760 5.645) 12.437 10.999 ( -2.197 3.809 -4.604) 6.367 11.117 ( -1.761 1.463 0.854) 2.444 11.256 ( -8.385 3.027 -6.155) 10.833 11.462 ( -8.924 -1.434 7.672) 11.856 11.640 ( 4.567 1.117 -3.860) 6.083 11.698 ( -1.542 -0.871 -0.551) 1.855 11.722 ( -12.754 1.195 0.988) 12.847 11.908 ( 7.222 -3.748 -1.063) 8.206 11.968 ( 4.606 0.100 2.143) 5.081 12.133 ( 3.576 -3.030 -6.538) 8.044 12.294 ( 1.392 3.816 -2.451) 4.744 12.479 ( -2.988 0.150 -3.906) 4.920 12.531 ( 2.092 -3.170 -2.058) 4.320 12.994 ( -0.044 0.099 -2.940) 2.942 13.129 ( -0.950 -0.765 -6.130) 6.251 13.558 ( -3.398 -1.896 4.664) 6.074 13.654 ( 7.799 -1.168 0.373) 7.895 13.894 ( -4.441 1.771 -4.851) 6.811 13.911 ( 1.999 -0.575 -5.645) 6.016 14.159 ( 6.695 0.280 7.300) 9.909 14.232 ( 8.070 11.122 0.326) 13.746 14.397 ( -2.411 7.616 -8.169) 11.425 14.603 ( -5.878 -1.350 -11.627) 13.098 14.731 ( -4.539 -9.491 1.097) 10.577 14.780 ( 2.630 -3.663 -1.974) 4.923 14.932 ( -2.349 2.562 4.214) 5.463 15.010 ( 5.627 -0.476 2.333) 6.110 15.339 ( 1.843 -8.030 6.061) 10.228 15.399 ( -0.060 -10.227 8.580) 13.350 15.534 ( -2.201 -2.165 -1.552) 3.456 15.787 ( -0.354 -12.846 -5.242) 13.879 16.088 ( -1.039 14.729 4.605) 15.467 16.250 ( -3.436 3.268 -4.276) 6.385 16.454 ( -5.657 9.186 -2.299) 11.030 16.548 ( 8.780 7.772 1.399) 11.809 16.590 ( 3.972 7.738 -4.144) 9.634 16.743 ( -9.025 -0.342 -5.508) 10.579 17.210 ( 6.958 -1.835 2.708) 7.688 17.274 ( 0.524 -1.371 2.165) 2.615 17.430 ( 2.953 -7.731 4.014) 9.198 17.595 ( -4.013 -3.412 -1.920) 5.607 18.420 ( 2.872 5.862 9.715) 11.704 18.558 ( -7.173 2.265 3.077) 8.127 19.108 ( 2.889 -4.012 -1.837) 5.274 19.187 ( 1.121 -1.874 -5.375) 5.802 24.712 ( 0.513 1.029 1.971) 2.281 24.779 ( 0.168 0.840 -0.818) 1.185 24.955 ( 0.160 0.748 4.568) 4.631 25.132 ( -0.253 -2.583 -3.188) 4.111 25.926 ( -0.859 1.237 1.505) 2.129 26.037 ( 1.768 -1.611 -4.200) 4.834 26.356 ( -1.653 1.615 1.745) 2.896 26.463 ( -3.100 -2.801 -1.925) 4.600 26.616 ( 3.407 3.435 -1.366) 5.027 26.640 ( -4.101 3.789 -3.083) 6.378 27.095 ( 0.730 -7.297 3.369) 8.070 27.208 ( -0.763 -11.663 -0.936) 11.725 28.198 ( -3.634 4.323 18.707) 19.541 28.591 ( 4.397 -4.502 22.979) 23.825 28.912 ( 5.783 16.818 -16.693) 24.392 29.518 ( -2.702 -3.486 -21.798) 22.239 ======================= Grid point 209 (114/159) ======================= q-point: ( 0.08 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -4.749 -4.431 37.226) 37.788 3.376 ( 5.999 7.509 37.017) 38.245 3.612 ( 7.012 -19.370 10.908) 23.310 3.792 ( 7.871 -11.733 -28.170) 31.515 3.873 ( -1.650 -6.965 -19.127) 20.423 4.005 ( 7.354 -17.024 -8.726) 20.495 4.418 ( 0.612 1.637 -9.504) 9.663 4.538 ( -0.081 2.976 -9.798) 10.240 5.064 ( -1.075 9.932 20.143) 22.484 5.356 ( -0.590 -3.073 12.922) 13.295 5.673 ( 3.198 17.572 13.531) 22.408 5.736 ( -0.246 13.786 1.824) 13.908 5.964 ( 5.556 16.949 -8.280) 19.664 6.086 ( -0.745 1.279 -6.442) 6.610 6.584 ( -9.935 -9.953 1.561) 14.149 6.751 ( -0.581 -4.346 -2.618) 5.107 6.981 ( -15.239 1.612 8.804) 17.673 7.124 ( -18.447 1.615 5.950) 19.450 7.245 ( -4.846 -0.020 -0.848) 4.920 7.559 ( -11.513 -0.448 2.594) 11.810 7.601 ( -2.502 0.755 -3.093) 4.049 7.874 ( 4.987 -6.002 -0.036) 7.803 8.050 ( -14.154 -4.663 -4.664) 15.615 8.401 ( 6.978 7.434 0.654) 10.217 8.669 ( -9.301 12.517 2.699) 15.826 8.706 ( -1.617 -11.282 -2.284) 11.624 8.908 ( 0.968 -4.420 -1.005) 4.635 8.975 ( -4.960 1.855 -3.223) 6.200 9.238 ( 0.222 -6.761 5.715) 8.855 9.328 ( 0.684 1.453 1.921) 2.503 9.775 ( -0.603 0.961 3.560) 3.737 10.121 ( -7.029 6.535 0.169) 9.599 10.256 ( 5.939 -10.119 -5.080) 12.785 10.379 ( 8.488 -7.397 -4.638) 12.177 10.764 ( -4.231 8.937 -1.520) 10.004 10.991 ( 1.766 2.125 4.252) 5.071 11.121 ( -5.302 0.912 0.121) 5.382 11.163 ( -3.724 0.943 1.384) 4.084 11.411 ( -11.582 -2.532 2.923) 12.211 11.431 ( -4.540 0.140 3.128) 5.515 11.645 ( -1.381 -0.372 -3.644) 3.915 11.777 ( -2.692 -2.566 5.584) 6.709 11.890 ( -4.324 4.984 -3.150) 7.311 12.064 ( 6.333 -1.228 0.884) 6.512 12.150 ( 8.066 -1.047 -5.923) 10.062 12.389 ( 14.569 1.069 -4.456) 15.273 12.511 ( 8.075 -1.098 1.800) 8.346 12.600 ( 8.654 -1.844 -2.304) 9.143 12.934 ( -1.191 -2.325 -1.484) 3.004 13.151 ( 8.456 -1.962 -3.291) 9.284 13.516 ( -4.945 -3.872 0.931) 6.349 13.733 ( 1.826 0.348 -2.918) 3.460 13.881 ( 7.671 2.692 -0.714) 8.161 13.924 ( 5.216 1.242 0.614) 5.397 14.177 ( -4.331 2.729 -4.532) 6.837 14.313 ( -6.192 2.016 -8.163) 10.442 14.399 ( 5.512 6.039 5.616) 9.919 14.429 ( 7.001 1.812 -4.906) 8.739 14.745 ( 6.278 -5.127 3.934) 9.010 14.869 ( 8.569 -2.911 -3.063) 9.554 14.953 ( 1.817 2.852 0.812) 3.478 15.149 ( 8.292 -4.781 1.873) 9.753 15.372 ( -7.383 -6.579 2.259) 10.144 15.443 ( -1.903 -5.996 3.499) 7.199 15.553 ( -0.460 -3.011 7.134) 7.757 15.707 ( 2.471 -12.000 -8.933) 15.163 16.067 ( -6.565 8.072 1.180) 10.472 16.134 ( -6.172 12.081 1.310) 13.630 16.403 ( 0.072 3.836 -0.893) 3.939 16.529 ( -7.269 1.902 -3.862) 8.448 16.633 ( 6.169 12.909 -4.557) 15.016 16.740 ( 7.628 4.616 5.685) 10.574 17.225 ( -1.580 -5.081 -4.117) 6.728 17.349 ( 6.827 -0.944 1.570) 7.068 17.481 ( -2.496 -6.257 -2.433) 7.162 17.603 ( 5.922 -5.540 3.491) 8.828 18.454 ( -8.484 4.757 0.620) 9.746 18.583 ( 3.668 2.741 8.622) 9.763 19.038 ( -5.942 -1.358 -3.286) 6.924 19.162 ( 1.050 -3.295 -2.842) 4.476 24.757 ( 2.365 1.173 1.461) 3.017 24.783 ( 2.474 1.890 -1.598) 3.500 25.029 ( 1.394 -1.081 5.254) 5.542 25.099 ( 1.748 -1.997 -4.289) 5.044 25.964 ( 3.220 0.608 1.797) 3.737 26.048 ( 5.508 -2.014 -3.427) 6.793 26.398 ( 1.910 1.831 2.620) 3.724 26.461 ( 5.219 -0.434 0.159) 5.240 26.540 ( -1.953 3.286 -1.054) 3.965 26.718 ( 7.599 4.316 -0.150) 8.740 27.137 ( -0.059 -10.110 1.605) 10.237 27.215 ( 3.903 -7.409 -0.541) 8.392 28.322 ( -7.711 10.463 16.108) 20.697 28.739 ( 1.318 7.650 -15.266) 17.127 28.921 ( -0.337 -4.600 20.298) 20.815 29.170 ( -6.733 -3.082 -22.580) 23.763 ======================= Grid point 210 (115/159) ======================= q-point: ( 0.15 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( -0.741 -1.298 -2.552) 2.958 3.391 ( 0.172 -2.352 -6.042) 6.486 3.606 ( 11.636 0.368 -30.633) 32.770 3.900 ( 14.284 -9.233 5.507) 17.878 3.928 ( 4.683 -6.822 13.891) 16.169 4.169 ( 15.675 -6.411 3.332) 17.260 4.378 ( 4.218 -8.886 -2.588) 10.171 4.525 ( 3.692 -6.142 9.660) 12.028 4.987 ( -19.797 4.643 -1.323) 20.378 5.317 ( -15.334 1.489 2.082) 15.547 5.637 ( 4.210 16.014 -22.105) 27.619 5.768 ( 0.622 7.355 -2.994) 7.965 5.981 ( 5.127 12.170 -14.626) 19.706 6.091 ( 5.490 8.310 4.737) 11.029 6.419 ( -13.099 -12.037 6.744) 19.025 6.643 ( -8.460 -2.269 -3.236) 9.338 6.835 ( -16.211 3.719 -4.131) 17.138 6.894 ( -11.041 5.452 2.122) 12.495 7.097 ( -14.679 -4.724 5.405) 16.341 7.466 ( -8.541 7.663 -5.164) 12.583 7.512 ( -5.892 -4.586 5.039) 9.008 7.728 ( -16.748 -7.707 4.113) 18.889 7.953 ( 5.554 -12.015 -6.760) 14.863 8.419 ( -8.943 4.522 3.404) 10.584 8.557 ( -8.354 21.084 5.677) 23.378 8.630 ( -7.911 -9.533 1.451) 12.473 8.766 ( -3.494 -3.053 -6.283) 7.811 9.027 ( 3.213 0.435 1.975) 3.797 9.229 ( -9.850 -10.060 7.680) 16.038 9.471 ( 6.754 -1.185 5.083) 8.536 9.795 ( -6.082 7.699 4.057) 10.617 10.003 ( -10.520 2.530 -2.569) 11.121 10.199 ( 4.140 5.958 -5.750) 9.257 10.484 ( 9.702 -5.645 -9.097) 14.448 10.790 ( 5.696 -1.275 2.023) 6.177 10.998 ( 0.422 -0.069 -3.292) 3.320 11.070 ( -4.012 -1.126 10.764) 11.542 11.089 ( -12.253 -0.947 5.622) 13.514 11.349 ( 1.049 1.019 3.849) 4.117 11.438 ( -6.362 3.699 -1.819) 7.581 11.624 ( -0.113 -3.439 1.685) 3.831 11.743 ( -1.238 2.138 6.451) 6.908 11.871 ( 0.782 1.598 2.537) 3.098 12.099 ( 2.704 0.757 -7.906) 8.390 12.245 ( 8.898 -3.732 -0.536) 9.664 12.423 ( 6.497 -1.572 -9.143) 11.326 12.673 ( 3.269 -3.567 -2.176) 5.306 12.830 ( 14.721 -0.001 10.551) 18.112 12.987 ( 9.711 -6.134 1.647) 11.603 13.294 ( 6.136 -10.154 3.438) 12.352 13.502 ( 5.332 7.064 0.843) 8.890 13.722 ( 0.953 0.135 -1.045) 1.421 13.966 ( 1.870 2.995 -5.008) 6.127 14.014 ( 2.757 -1.019 -1.183) 3.168 14.119 ( -0.214 2.391 -3.798) 4.493 14.146 ( 5.617 -0.308 -1.534) 5.831 14.432 ( -1.540 6.204 0.956) 6.463 14.505 ( -0.165 8.291 1.394) 8.409 14.926 ( 3.731 1.483 -2.456) 4.706 14.971 ( 13.159 -1.137 -1.075) 13.251 15.069 ( 11.496 -2.352 4.538) 12.581 15.206 ( -4.573 -3.530 1.800) 6.051 15.333 ( 1.524 -2.581 -2.863) 4.145 15.455 ( 2.529 -11.295 5.402) 12.773 15.555 ( 0.761 -3.762 -8.627) 9.442 15.678 ( -0.133 -5.443 -0.677) 5.487 16.003 ( -0.441 5.900 1.402) 6.081 16.107 ( -3.727 6.978 5.605) 9.695 16.325 ( -6.323 2.735 -2.789) 7.432 16.471 ( -0.011 -0.897 3.298) 3.418 16.667 ( 3.897 14.175 -3.300) 15.067 16.910 ( 3.833 4.047 6.538) 8.591 17.196 ( 4.940 -4.290 -3.040) 7.214 17.394 ( 2.345 -0.331 -4.658) 5.225 17.506 ( 6.141 -8.119 1.197) 10.250 17.692 ( 1.826 -5.013 1.130) 5.454 18.334 ( -6.139 8.426 -0.971) 10.470 18.734 ( 5.205 1.277 3.329) 6.309 18.873 ( -9.331 -1.892 -3.491) 10.140 19.128 ( -2.090 -3.324 -1.719) 4.287 24.797 ( 3.167 1.929 -1.745) 4.098 24.828 ( 3.713 1.282 0.361) 3.945 25.080 ( 2.824 -1.284 -4.779) 5.698 25.113 ( 0.959 -2.134 5.151) 5.657 26.064 ( 6.370 -0.032 2.233) 6.750 26.116 ( 7.893 -2.212 -2.844) 8.676 26.454 ( 0.664 5.573 1.905) 5.927 26.507 ( 4.457 1.758 -1.997) 5.191 26.635 ( 8.852 -3.959 2.451) 10.002 26.863 ( 9.601 7.082 3.256) 12.367 27.150 ( 2.519 -10.260 -1.227) 10.636 27.313 ( 7.216 -5.948 2.197) 9.606 28.341 ( -9.160 11.581 7.150) 16.405 28.546 ( -4.643 6.899 -9.570) 12.679 28.771 ( -7.685 -3.446 -22.306) 23.843 29.136 ( -4.897 -6.075 19.343) 20.858 ======================= Grid point 211 (116/159) ======================= q-point: ( 0.23 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 15.073 6.375 -27.071) 31.633 3.460 ( 18.146 3.460 -29.132) 34.495 3.569 ( -0.937 -3.275 8.662) 9.308 3.959 ( -6.013 2.676 0.786) 6.629 4.138 ( 14.127 -5.286 -5.627) 16.098 4.361 ( 10.202 -5.158 -6.852) 13.328 4.466 ( 2.036 -14.778 4.888) 15.698 4.583 ( -26.110 8.625 3.636) 27.737 4.893 ( 13.044 -4.525 12.765) 18.803 5.169 ( -0.242 5.263 7.955) 9.541 5.479 ( -0.085 -1.440 -9.212) 9.324 5.668 ( 0.577 -2.699 -12.715) 13.012 5.854 ( 1.419 14.951 -15.875) 21.853 6.031 ( -5.137 -0.361 -9.214) 10.556 6.319 ( -14.545 4.415 -10.352) 18.391 6.391 ( -8.971 -7.892 4.802) 12.877 6.541 ( -10.712 0.747 -4.650) 11.702 6.789 ( 1.397 -4.066 -8.077) 9.149 6.941 ( -15.265 3.405 6.919) 17.102 7.277 ( -9.368 5.684 -4.091) 11.697 7.458 ( -7.107 -7.024 1.550) 10.112 7.517 ( -15.794 -3.620 1.237) 16.251 7.924 ( -0.343 -13.070 -6.233) 14.484 8.290 ( -14.866 2.142 9.337) 17.685 8.466 ( -7.435 18.810 -5.364) 20.925 8.552 ( -6.754 0.116 4.507) 8.120 8.692 ( -1.584 -6.516 0.053) 6.706 9.047 ( -4.528 -0.420 0.652) 4.594 9.209 ( -4.779 -7.864 8.987) 12.862 9.457 ( -10.731 -5.101 -3.195) 12.304 9.712 ( -8.571 9.759 2.929) 13.315 9.756 ( -10.953 5.774 -4.639) 13.222 10.282 ( 9.874 9.531 -1.882) 13.852 10.569 ( 12.853 -2.596 -3.914) 13.685 10.811 ( -4.490 -1.730 0.814) 4.880 10.944 ( -12.821 -2.940 4.966) 14.060 10.965 ( 0.408 0.137 -3.966) 3.989 11.180 ( -10.286 9.708 -3.084) 14.477 11.292 ( 3.955 -6.287 6.333) 9.761 11.479 ( 5.356 6.321 3.265) 8.905 11.609 ( -3.204 -8.511 5.174) 10.463 11.878 ( 0.807 2.999 0.412) 3.132 11.947 ( 4.137 -1.023 5.677) 7.098 12.063 ( 3.849 4.634 1.167) 6.136 12.403 ( 8.981 -7.432 3.009) 12.040 12.495 ( 10.773 -2.134 1.802) 11.129 12.657 ( 0.106 -6.140 -2.618) 6.675 13.029 ( 3.117 -13.613 1.362) 14.032 13.250 ( 7.726 -1.193 7.871) 11.093 13.405 ( 8.157 -9.695 1.246) 12.732 13.642 ( 7.412 9.458 -1.379) 12.095 13.696 ( -3.159 0.727 -1.670) 3.646 13.890 ( 0.712 10.415 -6.356) 12.223 13.981 ( 2.756 1.326 -0.868) 3.179 14.161 ( 3.444 7.899 1.383) 8.728 14.352 ( 12.100 0.134 2.096) 12.281 14.369 ( -3.502 3.171 0.991) 4.827 14.552 ( 2.220 4.855 6.526) 8.432 14.945 ( 1.488 2.028 -1.240) 2.805 15.034 ( -0.041 -1.234 -3.680) 3.882 15.153 ( 4.583 -4.887 -1.479) 6.861 15.335 ( 3.104 -3.721 3.066) 5.734 15.378 ( 7.987 -0.671 -1.168) 8.100 15.464 ( 7.320 -2.951 -3.202) 8.517 15.576 ( 1.042 -2.588 2.869) 4.002 15.683 ( 2.787 -4.940 2.287) 6.116 16.090 ( 6.569 0.033 3.164) 7.292 16.152 ( -0.451 0.945 7.119) 7.195 16.226 ( -5.036 1.660 1.657) 5.555 16.525 ( -0.346 -3.972 4.781) 6.225 16.694 ( 5.301 14.372 -2.812) 15.575 17.002 ( 0.323 3.449 3.557) 4.965 17.308 ( 9.246 -1.066 1.644) 9.451 17.380 ( 1.953 -0.170 -2.386) 3.088 17.606 ( 5.071 -8.709 -1.153) 10.144 17.719 ( 3.619 -5.082 -1.173) 6.349 18.251 ( -2.013 10.921 -2.532) 11.390 18.602 ( -9.781 3.886 -10.968) 15.200 18.870 ( 4.030 -5.689 0.944) 7.036 19.055 ( -4.268 -2.658 -1.661) 5.295 24.823 ( 3.490 1.867 -2.356) 4.606 24.886 ( 3.262 0.809 -0.072) 3.362 25.073 ( 3.415 -0.546 -4.078) 5.347 25.176 ( -0.588 -2.559 4.624) 5.318 26.200 ( 7.074 -0.940 1.685) 7.332 26.213 ( 8.383 -1.665 -1.753) 8.725 26.469 ( 0.621 5.229 0.201) 5.269 26.570 ( 4.631 0.076 -1.817) 4.975 26.754 ( 6.136 -0.078 -1.815) 6.399 27.088 ( 9.386 1.315 5.077) 10.752 27.212 ( 8.154 -3.671 0.526) 8.957 27.493 ( 10.964 -6.109 4.166) 13.224 28.158 ( -7.626 1.169 -14.121) 16.091 28.389 ( -7.527 2.654 -9.582) 12.471 28.470 ( -7.037 10.345 0.602) 12.526 29.241 ( -9.508 -6.922 16.320) 20.116 ======================= Grid point 212 (117/159) ======================= q-point: ( 0.31 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 24.775 8.765 -12.198) 28.972 3.411 ( -16.216 1.692 -5.468) 17.197 3.451 ( 18.988 5.482 -21.589) 29.270 3.932 ( -7.115 8.508 10.572) 15.322 4.149 ( -17.500 1.853 1.723) 17.682 4.245 ( 11.038 -3.255 -11.748) 16.446 4.491 ( 8.533 1.848 -7.065) 11.231 4.625 ( 13.497 -15.441 0.332) 20.511 5.109 ( 3.279 13.156 1.968) 13.701 5.262 ( -11.800 -15.798 -4.524) 20.231 5.361 ( 4.084 -3.706 0.964) 5.599 5.547 ( 4.179 2.623 -18.245) 18.901 5.799 ( 8.482 5.916 -4.318) 11.207 5.901 ( 0.269 -1.953 -1.839) 2.696 6.029 ( -11.534 7.002 -4.753) 14.306 6.128 ( -9.770 3.687 -8.255) 13.311 6.535 ( -0.797 -12.846 3.558) 13.353 6.688 ( -1.785 -5.871 -4.968) 7.895 6.805 ( -6.724 2.693 -3.822) 8.190 7.033 ( -14.048 -6.085 -0.390) 15.314 7.237 ( -11.445 -15.658 -5.340) 20.116 7.431 ( -2.599 16.669 0.399) 16.875 7.781 ( -9.442 -3.715 -4.833) 11.238 8.132 ( -7.754 5.354 -11.042) 14.516 8.308 ( -9.467 0.760 8.622) 12.828 8.494 ( -6.017 0.821 -0.235) 6.078 8.647 ( -5.302 -2.874 0.525) 6.053 8.896 ( -10.361 1.191 -2.609) 10.750 9.156 ( -12.650 -7.700 -7.883) 16.776 9.296 ( -1.647 -6.619 7.773) 10.342 9.590 ( -5.014 4.172 -5.251) 8.373 9.615 ( -5.257 5.931 -1.036) 7.993 10.414 ( 4.464 5.299 1.250) 7.041 10.664 ( -1.259 3.311 0.690) 3.609 10.700 ( -13.778 3.110 4.933) 14.961 10.837 ( -8.892 2.559 2.526) 9.591 10.924 ( 6.556 -2.747 -11.788) 13.765 10.957 ( -9.913 1.423 5.321) 11.340 11.387 ( 0.404 0.208 -0.586) 0.741 11.588 ( 5.450 0.795 1.691) 5.761 11.706 ( 4.434 -1.858 6.116) 7.780 11.802 ( -3.143 2.759 -3.865) 5.695 12.045 ( 4.587 -2.920 1.053) 5.539 12.234 ( 3.701 6.081 8.420) 11.026 12.466 ( -0.557 -4.896 -1.779) 5.239 12.665 ( 2.680 -9.761 -1.010) 10.173 12.821 ( 13.243 -2.900 15.460) 20.562 12.999 ( -1.017 -11.877 -8.071) 14.396 13.291 ( -2.959 -3.197 -0.154) 4.359 13.539 ( 4.253 -3.067 -1.010) 5.340 13.629 ( 3.030 8.387 -2.621) 9.295 13.721 ( -0.899 9.875 -0.219) 9.919 13.863 ( 8.495 0.544 -3.128) 9.069 14.062 ( 0.130 11.795 3.846) 12.407 14.234 ( 4.655 -1.961 -0.220) 5.056 14.338 ( 4.521 1.629 2.249) 5.306 14.547 ( 3.410 1.558 1.598) 4.075 14.724 ( 2.987 3.082 12.642) 13.351 14.925 ( 0.641 -3.058 0.542) 3.171 15.074 ( 4.413 1.880 6.232) 7.864 15.296 ( 12.887 -2.159 -1.373) 13.139 15.383 ( 8.665 0.365 -2.809) 9.117 15.421 ( 1.535 -5.222 4.571) 7.107 15.579 ( -1.487 2.548 2.718) 4.011 15.686 ( 6.208 -4.762 5.763) 9.717 15.802 ( 5.512 -4.384 6.475) 9.567 16.145 ( -1.643 -3.473 -1.136) 4.007 16.251 ( 2.986 -3.905 4.799) 6.870 16.303 ( 3.303 2.537 11.384) 12.122 16.572 ( 1.550 -5.844 2.992) 6.746 16.764 ( 4.317 15.457 1.263) 16.098 16.988 ( -3.518 6.025 -2.720) 7.488 17.412 ( 2.336 -1.850 2.298) 3.763 17.485 ( 7.863 -0.373 4.429) 9.032 17.607 ( 1.314 -8.024 -5.585) 9.864 17.801 ( 7.972 -4.831 -2.084) 9.551 18.197 ( -0.273 11.309 -4.934) 12.341 18.314 ( -6.356 3.002 -12.329) 14.192 18.869 ( -0.952 -5.160 -5.728) 7.767 18.992 ( -0.676 -2.276 -1.873) 3.024 24.848 ( 3.253 1.704 -2.020) 4.191 24.925 ( 2.316 0.452 -0.471) 2.406 25.091 ( 4.184 -0.308 -2.642) 4.958 25.205 ( -2.334 -2.502 3.971) 5.241 26.293 ( 6.352 -1.169 -2.240) 6.836 26.334 ( 5.592 -1.174 1.771) 5.982 26.483 ( 1.145 3.610 -0.453) 3.815 26.587 ( 3.211 -0.288 -4.877) 5.846 26.811 ( 5.284 3.398 -2.599) 6.799 27.192 ( 4.588 -6.507 -2.460) 8.333 27.419 ( 9.316 5.405 4.021) 11.497 27.701 ( 6.901 -4.787 -0.413) 8.409 27.884 ( -2.974 -1.612 -8.773) 9.403 28.180 ( 1.966 -4.581 -12.698) 13.642 28.445 ( -9.217 16.712 12.339) 22.726 29.242 ( -12.520 -7.118 12.374) 18.987 ======================= Grid point 213 (118/159) ======================= q-point: ( 0.38 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( -9.370 4.802 3.019) 10.954 3.439 ( 1.534 -1.303 -0.693) 2.129 3.527 ( 19.574 7.945 -1.458) 21.175 3.881 ( -0.413 12.004 0.412) 12.019 4.083 ( 5.674 -2.221 -1.932) 6.392 4.272 ( 5.607 4.828 -5.087) 8.980 4.514 ( 6.940 7.261 -9.874) 14.085 4.790 ( 8.021 -6.425 -6.230) 12.018 5.062 ( 0.259 -6.109 -3.406) 6.999 5.084 ( -2.580 1.730 -9.663) 10.150 5.356 ( 0.987 4.959 -17.813) 18.517 5.423 ( 0.188 -7.533 0.722) 7.570 5.575 ( -14.820 1.552 -8.223) 17.019 5.861 ( 0.754 -1.193 -6.574) 6.724 5.926 ( -9.397 4.096 -0.143) 10.252 6.125 ( 7.386 0.643 -1.784) 7.626 6.409 ( -9.182 -13.795 -2.338) 16.736 6.656 ( 2.100 -2.873 -2.719) 4.478 6.744 ( 1.625 0.806 1.063) 2.102 6.891 ( -6.356 -2.764 -3.691) 7.853 7.080 ( -2.876 -9.530 -0.676) 9.978 7.347 ( -7.606 7.844 -6.911) 12.928 7.593 ( -1.208 14.059 -1.963) 14.247 7.901 ( -0.506 -6.439 -14.084) 15.495 8.297 ( -11.767 -8.244 -5.429) 15.359 8.328 ( -6.616 -4.320 10.544) 13.176 8.583 ( -3.312 -0.143 1.760) 3.753 8.783 ( -5.960 0.463 5.066) 7.836 8.915 ( -6.533 -3.294 -4.994) 8.858 9.323 ( -5.027 -2.703 0.703) 5.751 9.420 ( -2.809 -0.541 -8.947) 9.394 9.561 ( -0.164 -0.112 -1.751) 1.762 10.323 ( -14.417 1.134 0.449) 14.468 10.510 ( -15.120 -0.990 0.197) 15.153 10.648 ( 1.831 8.400 -1.510) 8.729 10.743 ( -8.823 3.236 7.824) 12.228 10.945 ( 4.880 -2.820 -1.518) 5.837 10.973 ( 3.068 -1.867 1.928) 4.077 11.351 ( -2.316 2.624 -1.331) 3.745 11.649 ( -1.772 -1.312 -0.840) 2.360 11.666 ( 1.152 2.964 -6.461) 7.201 11.848 ( -0.909 -5.111 2.808) 5.902 12.105 ( 5.215 0.134 -3.152) 6.095 12.316 ( -2.056 5.600 2.778) 6.580 12.422 ( -2.968 3.189 -5.683) 7.161 12.650 ( 2.937 -4.804 0.220) 5.635 12.857 ( 0.104 -0.719 -11.606) 11.629 13.131 ( 5.023 -5.415 2.819) 7.906 13.355 ( 4.797 -1.677 11.256) 12.350 13.445 ( -2.675 4.630 -6.121) 8.127 13.699 ( 1.419 7.152 2.726) 7.784 13.752 ( 6.191 4.722 3.264) 8.443 13.987 ( 5.361 -2.184 -3.715) 6.879 14.138 ( 7.046 5.037 7.324) 11.343 14.300 ( -0.677 5.124 6.949) 8.660 14.438 ( 0.882 -4.541 3.811) 5.993 14.599 ( -1.406 3.338 4.459) 5.745 14.910 ( 5.607 0.969 9.467) 11.046 15.007 ( 2.322 -3.931 5.982) 7.525 15.248 ( 5.985 -5.878 5.758) 10.175 15.411 ( 7.692 0.719 -3.503) 8.483 15.511 ( 4.132 -5.679 5.955) 9.208 15.573 ( 2.682 3.303 3.772) 5.686 15.640 ( 5.651 -2.645 4.067) 7.448 15.809 ( 6.244 1.097 5.586) 8.450 15.990 ( 6.118 -9.366 4.798) 12.172 16.121 ( -2.285 -1.844 6.139) 6.806 16.285 ( -1.372 -6.809 -0.651) 6.977 16.494 ( 2.062 4.530 11.771) 12.780 16.662 ( 3.570 1.759 2.277) 4.585 16.803 ( -4.037 9.849 -5.284) 11.883 16.908 ( 0.097 6.908 7.636) 10.298 17.424 ( -2.530 -4.678 -4.876) 7.215 17.536 ( 0.296 -4.430 -5.498) 7.067 17.656 ( 5.237 2.076 4.551) 7.243 17.865 ( 2.854 -2.128 -1.183) 3.752 18.079 ( 2.979 4.680 -11.075) 12.387 18.227 ( 3.499 1.386 -2.614) 4.582 18.758 ( -2.284 -1.913 -6.790) 7.415 18.937 ( -0.736 -2.693 -6.854) 7.401 24.876 ( 2.667 1.719 -0.986) 3.323 24.946 ( 1.094 0.598 -0.443) 1.323 25.138 ( 5.059 -1.157 -1.427) 5.382 25.202 ( -3.790 -2.151 3.413) 5.535 26.348 ( 4.759 -0.542 -2.400) 5.357 26.410 ( 1.891 -1.403 0.983) 2.552 26.486 ( 0.296 2.852 -1.008) 3.039 26.571 ( 4.298 0.325 -6.790) 8.043 26.860 ( 4.359 4.143 -1.565) 6.214 27.191 ( 0.224 -5.669 -4.474) 7.225 27.433 ( -1.661 5.529 -8.709) 10.449 27.666 ( 1.186 -4.796 -8.596) 9.915 27.921 ( 7.289 0.333 2.765) 7.803 28.208 ( 3.310 -4.015 4.299) 6.750 28.493 ( 0.248 11.988 9.885) 15.540 29.162 ( -13.770 -6.457 8.208) 17.282 ======================= Grid point 214 (119/159) ======================= q-point: ( 0.46 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 7.105 0.166 9.195) 11.621 3.347 ( -15.594 -3.707 12.164) 20.122 3.807 ( 8.654 6.670 2.769) 11.272 3.990 ( 11.704 12.897 -3.428) 17.750 4.198 ( 15.317 2.624 -11.756) 19.486 4.286 ( -1.501 8.095 3.084) 8.791 4.400 ( -0.412 12.557 -14.786) 19.403 4.712 ( -1.295 6.974 -8.516) 11.083 4.967 ( -6.581 -9.739 -3.680) 12.317 5.105 ( 4.127 -0.597 -6.869) 8.036 5.130 ( 2.799 -6.213 -5.180) 8.560 5.282 ( -0.785 -2.171 -10.005) 10.268 5.486 ( -2.292 -3.684 -1.396) 4.558 5.715 ( -11.582 0.090 -0.340) 11.587 5.829 ( 1.658 -1.672 0.541) 2.417 5.997 ( -11.340 -8.546 -5.381) 15.185 6.449 ( 8.729 3.364 -1.867) 9.539 6.634 ( -4.133 3.279 -11.288) 12.460 6.650 ( 0.445 -0.099 -5.491) 5.510 6.838 ( 1.483 5.308 -6.107) 8.226 7.017 ( -2.150 3.660 -0.939) 4.348 7.123 ( -4.127 -0.743 -8.151) 9.166 7.683 ( 5.077 -1.369 -1.102) 5.373 7.767 ( -1.258 -4.445 -5.420) 7.121 8.118 ( -2.624 -14.396 2.707) 14.882 8.380 ( -4.380 -7.270 10.530) 13.524 8.583 ( 0.854 -4.178 0.982) 4.376 8.766 ( -4.469 -3.336 3.589) 6.632 8.871 ( 0.569 6.660 4.620) 8.125 9.161 ( -6.226 -7.248 -6.349) 11.472 9.316 ( -2.588 5.996 -4.999) 8.224 9.564 ( 4.568 -6.475 -3.898) 8.831 10.143 ( -6.566 -0.078 0.053) 6.567 10.293 ( -9.796 -4.001 -1.887) 10.748 10.660 ( -1.436 2.690 3.697) 4.792 10.722 ( -5.015 1.397 5.258) 7.399 10.973 ( 3.859 -1.541 -5.377) 6.795 11.090 ( 3.865 -2.426 6.024) 7.558 11.293 ( -3.422 4.367 -0.941) 5.628 11.537 ( -2.188 4.569 -6.261) 8.054 11.673 ( 2.843 -1.408 -1.425) 3.478 11.780 ( -6.727 -8.303 -0.078) 10.686 12.145 ( 6.989 1.700 -5.979) 9.353 12.220 ( -6.726 5.089 -5.688) 10.173 12.283 ( -2.971 7.424 -4.091) 8.982 12.642 ( 1.304 -5.683 -13.618) 14.814 12.860 ( 4.212 11.043 4.677) 12.711 13.108 ( 0.921 6.226 -7.614) 9.879 13.409 ( 3.724 -0.652 0.959) 3.900 13.525 ( 2.002 -0.229 2.906) 3.536 13.800 ( 3.130 8.426 3.203) 9.542 13.884 ( 1.975 -3.132 3.579) 5.150 14.065 ( 4.706 2.614 11.563) 12.755 14.349 ( 8.130 -1.745 2.799) 8.774 14.380 ( -2.581 1.725 9.144) 9.656 14.490 ( -2.443 3.827 7.946) 9.152 14.620 ( -4.324 4.237 9.532) 11.292 15.046 ( -1.081 -5.849 5.288) 7.958 15.124 ( 3.075 -0.002 5.113) 5.966 15.386 ( 1.773 -6.928 5.336) 8.923 15.419 ( 0.422 -3.626 -3.650) 5.162 15.628 ( -1.099 -1.514 5.103) 5.435 15.638 ( 4.845 -2.663 -1.829) 5.824 15.725 ( 1.597 -3.159 3.749) 5.155 16.000 ( 3.096 -7.881 -2.407) 8.803 16.026 ( 8.352 -5.057 1.005) 9.815 16.231 ( -2.828 -3.765 3.053) 5.612 16.352 ( 6.649 -0.701 15.758) 17.117 16.581 ( -5.228 9.845 -5.986) 12.653 16.615 ( -0.642 7.312 2.264) 7.682 16.745 ( -0.952 4.794 3.407) 5.958 17.085 ( 0.695 -0.155 13.316) 13.335 17.269 ( -3.975 -2.663 -8.156) 9.456 17.423 ( -4.036 2.075 -5.763) 7.336 17.727 ( -0.505 2.711 1.182) 3.000 17.931 ( 3.661 -3.294 -1.187) 5.066 18.040 ( 4.303 2.144 -3.013) 5.674 18.300 ( 6.256 -2.702 0.957) 6.881 18.649 ( -0.485 -0.174 -7.892) 7.909 18.795 ( -3.587 -1.256 -10.835) 11.482 24.904 ( 1.348 1.708 0.102) 2.178 24.949 ( 0.176 1.015 -0.565) 1.175 25.171 ( -4.846 -1.783 3.013) 5.979 25.208 ( 5.092 -2.305 -0.818) 5.648 26.389 ( 2.186 -0.872 -0.781) 2.479 26.410 ( -2.219 -0.724 -0.398) 2.367 26.474 ( 1.109 2.964 -1.807) 3.645 26.559 ( 4.929 0.147 -6.725) 8.339 26.905 ( 3.027 3.572 -0.524) 4.711 27.092 ( -4.166 -0.374 -5.255) 6.717 27.327 ( -0.845 0.263 -4.983) 5.061 27.523 ( -2.505 -4.724 -10.359) 11.657 28.139 ( 12.924 2.655 4.136) 13.827 28.227 ( -9.253 2.947 7.243) 12.114 28.718 ( 13.145 1.280 7.042) 14.967 29.022 ( -13.920 -4.632 4.304) 15.289 ======================= Grid point 215 (120/159) ======================= q-point: (-0.46 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( -10.907 0.727 9.949) 14.781 3.485 ( 5.929 -2.957 7.053) 9.677 3.781 ( -10.183 10.003 -0.892) 14.302 4.009 ( -18.827 5.639 -5.704) 20.465 4.080 ( 4.869 5.767 -3.512) 8.325 4.249 ( 9.281 9.838 -10.901) 17.371 4.470 ( 12.063 7.283 -3.835) 14.604 4.579 ( -4.003 10.282 -7.039) 13.088 4.799 ( -10.744 -4.845 5.394) 12.962 5.096 ( -7.092 -1.509 -8.118) 10.885 5.175 ( 13.380 -6.556 -5.950) 16.044 5.253 ( 10.694 -0.576 -9.140) 14.079 5.429 ( -9.622 -7.079 2.226) 12.151 5.590 ( 9.120 -9.134 2.265) 13.105 5.902 ( 1.258 4.368 4.915) 6.695 5.997 ( 9.206 2.073 6.279) 11.335 6.400 ( -4.511 4.329 -8.855) 10.840 6.436 ( -4.201 3.025 -7.026) 8.727 6.599 ( 3.977 3.235 -4.816) 7.034 6.676 ( -4.004 3.739 -13.318) 14.401 7.004 ( -4.666 3.960 -2.416) 6.580 7.095 ( 6.672 2.893 3.284) 7.979 7.621 ( -4.732 -15.429 -2.462) 16.325 7.722 ( -0.284 -6.510 -2.976) 7.163 8.256 ( 0.498 -15.119 10.971) 18.686 8.435 ( 4.132 -3.695 1.252) 5.682 8.633 ( 3.468 -8.189 0.396) 8.902 8.747 ( 2.700 1.341 -1.982) 3.608 8.980 ( 2.402 5.006 8.264) 9.956 9.047 ( -4.917 -5.856 1.263) 7.750 9.247 ( 1.442 2.482 -2.528) 3.825 9.583 ( 7.681 -5.782 -9.627) 13.605 10.167 ( 6.763 -4.276 3.474) 8.723 10.210 ( 3.050 -5.799 -1.187) 6.659 10.665 ( -4.399 1.279 2.360) 5.153 10.719 ( -3.231 0.744 4.795) 5.829 10.978 ( 2.538 -1.289 1.004) 3.018 11.154 ( 3.134 -4.912 -6.011) 8.372 11.249 ( -3.718 5.709 4.825) 8.348 11.449 ( 1.361 2.692 -6.547) 7.209 11.718 ( 0.699 0.114 3.127) 3.206 11.739 ( -1.514 -1.969 4.076) 4.773 12.072 ( -2.541 7.104 -4.550) 8.810 12.194 ( 6.121 3.641 -3.987) 8.162 12.210 ( -0.616 6.952 -1.574) 7.155 12.493 ( 4.640 -3.034 -15.727) 16.676 12.895 ( -4.812 10.382 2.229) 11.658 13.082 ( 6.005 7.524 -5.341) 11.009 13.504 ( 3.714 -1.228 1.908) 4.353 13.532 ( -0.143 2.284 -2.809) 3.623 13.835 ( -1.893 2.842 0.821) 3.513 13.910 ( 1.031 2.131 -0.940) 2.547 14.312 ( 2.303 2.090 14.112) 14.451 14.369 ( -7.955 -1.889 1.343) 8.286 14.418 ( -0.544 1.583 1.707) 2.391 14.565 ( 1.487 6.424 4.388) 7.921 14.755 ( -4.145 -0.798 20.509) 20.939 15.015 ( -7.621 0.995 0.637) 7.712 15.190 ( -1.867 -6.203 4.789) 8.056 15.364 ( -3.766 -1.179 -1.694) 4.295 15.395 ( -3.064 -6.095 1.531) 6.991 15.642 ( 0.236 -4.493 -6.089) 7.571 15.665 ( 0.541 -5.317 2.079) 5.735 15.715 ( -4.914 -7.764 -0.155) 9.190 16.004 ( 5.830 -1.968 -3.890) 7.280 16.148 ( 4.142 -7.162 -3.755) 9.085 16.245 ( -4.039 2.311 7.293) 8.651 16.429 ( -3.021 10.286 -5.891) 12.232 16.585 ( 0.689 -0.823 7.947) 8.019 16.710 ( 3.413 -0.259 5.892) 6.814 16.774 ( 5.348 4.375 6.749) 9.659 16.991 ( -9.395 -3.226 -10.825) 14.691 17.283 ( -0.370 0.792 9.199) 9.241 17.396 ( -1.319 3.381 6.959) 7.849 17.680 ( -5.390 4.008 -1.338) 6.849 17.842 ( 0.352 0.524 -13.827) 13.841 18.173 ( 0.912 -2.098 12.485) 12.693 18.408 ( 4.452 -5.644 -0.580) 7.211 18.536 ( -0.538 1.146 -9.053) 9.141 18.600 ( -2.130 1.150 -10.519) 10.794 24.908 ( -1.425 0.632 0.350) 1.598 24.947 ( 0.588 1.881 -0.423) 2.015 25.122 ( -5.833 -0.951 2.782) 6.532 25.271 ( 4.233 -3.149 -1.136) 5.396 26.331 ( -5.605 0.686 -0.576) 5.676 26.374 ( -5.207 -0.639 1.170) 5.375 26.499 ( 6.231 1.435 -4.567) 7.858 26.574 ( 5.695 -0.511 -4.162) 7.072 26.928 ( -1.931 1.768 0.197) 2.626 26.983 ( -1.169 3.801 -2.566) 4.733 27.269 ( -3.105 -2.970 0.438) 4.319 27.374 ( -3.111 -3.139 -6.644) 7.979 28.133 ( -11.009 4.963 4.296) 12.818 28.378 ( 12.340 0.316 0.854) 12.374 28.845 ( -12.121 -0.073 0.966) 12.159 29.018 ( 15.587 -3.005 4.939) 16.625 ======================= Grid point 216 (121/159) ======================= q-point: (-0.38 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( -12.731 6.435 3.309) 14.644 3.305 ( -24.766 10.191 1.539) 26.826 3.587 ( -24.629 4.940 -4.014) 25.438 3.728 ( -5.112 0.216 3.136) 6.001 4.108 ( 0.725 -0.716 1.251) 1.613 4.324 ( 9.073 0.207 -6.677) 11.267 4.436 ( -0.488 17.558 -7.032) 18.920 4.536 ( -4.900 -4.055 2.517) 6.840 4.779 ( -1.222 7.714 2.490) 8.198 4.879 ( -11.690 7.690 -2.598) 14.232 5.047 ( -4.425 -5.096 -4.554) 8.142 5.293 ( 10.471 -4.410 -4.449) 12.201 5.632 ( 12.647 -5.878 -2.416) 14.154 5.872 ( 15.560 -6.256 9.619) 19.333 5.975 ( 1.254 -4.256 -1.376) 4.645 6.043 ( 2.661 8.167 -5.157) 10.018 6.352 ( 1.216 -2.192 1.898) 3.144 6.475 ( 6.700 1.302 1.358) 6.959 6.539 ( 4.964 -1.076 1.169) 5.212 6.684 ( 6.667 10.238 5.070) 13.228 6.902 ( -2.335 10.267 1.712) 10.667 7.256 ( 14.071 -1.887 -2.941) 14.498 7.526 ( -6.060 -18.309 1.266) 19.328 7.701 ( 0.071 -8.811 -0.323) 8.817 8.241 ( -2.232 -8.331 -2.895) 9.098 8.586 ( 7.580 -19.201 0.138) 20.644 8.717 ( 8.467 4.893 2.642) 10.130 8.813 ( 7.104 -2.182 -2.160) 7.739 8.997 ( -1.151 -1.148 -1.217) 2.031 9.126 ( 2.712 0.542 8.012) 8.476 9.308 ( 3.238 -2.352 5.116) 6.495 9.559 ( 9.601 -4.917 -15.619) 18.982 10.317 ( 9.892 -5.063 1.648) 11.234 10.425 ( 12.691 -6.611 6.157) 15.577 10.610 ( -3.062 2.178 2.277) 4.393 10.719 ( -1.492 6.036 2.904) 6.863 11.069 ( 4.283 -3.583 1.201) 5.712 11.163 ( 6.726 -1.669 -1.718) 7.140 11.265 ( -2.696 4.651 6.659) 8.558 11.431 ( 4.106 2.686 -3.543) 6.052 11.729 ( -0.711 0.449 -0.822) 1.176 11.780 ( 0.617 -0.580 3.364) 3.469 12.007 ( -1.265 9.583 -3.265) 10.203 12.219 ( 1.545 3.479 -0.539) 3.845 12.293 ( 6.463 3.190 5.929) 9.332 12.464 ( 11.335 -1.616 -8.574) 14.304 12.814 ( -8.183 14.853 0.855) 16.980 13.121 ( 6.018 2.865 -4.400) 7.987 13.447 ( -2.722 5.110 -5.778) 8.180 13.557 ( 1.898 -5.149 -1.062) 5.590 13.779 ( -4.996 -3.006 -0.491) 5.851 13.897 ( -0.328 9.124 -1.645) 9.277 14.187 ( -13.160 -0.657 -3.541) 13.643 14.341 ( -4.174 1.337 -3.426) 5.563 14.484 ( -0.873 5.941 5.636) 8.235 14.585 ( -3.823 -0.778 0.408) 3.923 14.820 ( -9.400 3.039 2.422) 10.171 14.930 ( -7.958 1.946 10.895) 13.632 15.165 ( -5.873 -10.323 0.211) 11.878 15.297 ( -7.029 -2.352 3.523) 8.206 15.392 ( -4.241 -11.449 9.192) 15.282 15.479 ( -5.697 -6.248 -9.395) 12.639 15.613 ( -3.931 -6.559 -6.507) 10.041 15.707 ( 1.552 -4.042 1.498) 4.581 16.021 ( -1.527 1.512 -7.458) 7.761 16.105 ( 1.766 -2.673 -4.769) 5.746 16.256 ( -3.501 10.483 7.749) 13.498 16.341 ( -1.904 5.004 -0.662) 5.395 16.629 ( -0.266 3.234 0.467) 3.278 16.702 ( -7.916 -3.234 -10.804) 13.779 16.875 ( 10.168 -3.727 5.766) 12.269 17.045 ( 5.811 -3.707 12.660) 14.415 17.342 ( -3.636 2.509 3.845) 5.857 17.451 ( -2.184 2.602 5.081) 6.113 17.543 ( -8.489 5.330 -1.804) 10.185 17.669 ( -3.952 2.072 -7.677) 8.879 18.202 ( -8.895 -3.016 -8.491) 12.662 18.356 ( -0.293 -4.081 5.352) 6.737 18.479 ( -0.450 1.844 -6.200) 6.484 18.601 ( 7.368 -0.833 3.393) 8.154 24.875 ( -2.640 -0.181 -0.212) 2.655 24.945 ( -1.296 0.860 0.247) 1.575 25.064 ( -5.259 1.022 2.099) 5.754 25.307 ( 2.512 -3.393 -1.494) 4.478 26.236 ( -6.464 1.012 0.849) 6.597 26.296 ( -6.901 -0.450 2.708) 7.427 26.524 ( 3.822 0.548 -4.626) 6.026 26.604 ( 3.831 -1.413 -4.850) 6.340 26.851 ( -4.886 4.470 -0.500) 6.641 27.008 ( 1.457 1.291 3.347) 3.872 27.246 ( -4.116 -3.113 3.111) 6.026 27.281 ( -2.953 -2.805 1.802) 4.453 28.002 ( -9.760 4.468 0.797) 10.763 28.426 ( -7.988 -7.710 -3.299) 11.582 28.767 ( 6.519 11.418 -2.370) 13.360 29.313 ( 17.170 -4.822 1.785) 17.923 ======================= Grid point 217 (122/159) ======================= q-point: (-0.31 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -34.594 14.942 5.912) 38.144 2.938 ( -36.774 10.314 3.708) 38.373 3.358 ( 1.032 -2.413 -2.222) 3.439 3.650 ( -13.721 -6.403 8.919) 17.573 4.076 ( -12.061 9.650 4.945) 16.219 4.177 ( -16.769 15.502 -1.991) 22.923 4.424 ( -10.570 -5.936 7.315) 14.159 4.435 ( 4.120 1.710 -7.226) 8.492 4.686 ( -6.408 13.306 7.691) 16.651 4.839 ( -0.311 15.763 7.321) 17.383 5.172 ( 13.875 -10.435 3.319) 17.675 5.434 ( 9.240 -10.912 1.682) 14.397 5.635 ( -2.120 -2.578 -5.105) 6.099 5.868 ( 1.059 -2.505 -7.702) 8.168 6.049 ( 11.047 9.025 -7.132) 15.949 6.313 ( 2.616 -6.013 -2.306) 6.951 6.444 ( 9.917 -9.589 8.812) 16.369 6.523 ( 10.598 -5.966 3.488) 12.652 6.750 ( 12.041 2.298 10.673) 16.253 6.855 ( 7.354 6.945 -0.939) 10.159 7.138 ( 15.114 9.123 9.267) 19.938 7.336 ( -1.545 -19.094 -4.253) 19.623 7.588 ( 15.463 -2.164 2.506) 15.814 7.720 ( 1.510 -6.637 2.016) 7.099 8.295 ( 13.833 -5.444 1.392) 14.931 8.675 ( 8.594 -14.844 -2.530) 17.338 8.864 ( 5.292 2.284 -1.867) 6.058 8.907 ( 7.607 -2.663 0.943) 8.115 9.049 ( 8.965 0.237 0.752) 8.999 9.231 ( 2.188 -5.378 3.168) 6.614 9.436 ( 4.019 -3.034 6.030) 7.856 9.545 ( 12.614 -4.113 -12.732) 18.388 10.366 ( -8.768 0.220 3.898) 9.599 10.516 ( -7.957 -1.246 4.959) 9.458 10.754 ( 17.353 3.479 -0.274) 17.700 10.866 ( 11.633 8.168 4.007) 14.768 11.107 ( 3.016 -0.108 -3.013) 4.265 11.218 ( 3.883 -0.257 -3.261) 5.077 11.393 ( 8.402 -0.879 2.848) 8.915 11.483 ( 3.262 2.803 2.693) 5.075 11.738 ( 4.298 -0.421 -0.813) 4.395 11.837 ( 0.242 -3.939 4.079) 5.676 11.948 ( -1.429 7.047 -2.119) 7.496 12.227 ( -2.465 3.186 2.750) 4.877 12.464 ( 2.432 3.490 4.206) 5.982 12.594 ( 9.904 -0.331 -0.515) 9.923 12.657 ( -7.243 14.889 -1.701) 16.644 13.156 ( 3.589 -2.676 -2.898) 5.333 13.370 ( 0.336 3.801 -1.344) 4.046 13.543 ( 0.781 -6.783 -4.735) 8.309 13.685 ( -5.356 -0.302 -0.123) 5.366 13.872 ( -2.964 9.515 -3.227) 10.475 13.888 ( -12.344 -3.256 -8.501) 15.338 14.181 ( -6.406 7.074 -7.244) 11.982 14.407 ( -9.676 -3.245 -0.688) 10.228 14.496 ( -9.704 3.880 -2.660) 10.785 14.667 ( -8.486 4.011 -1.729) 9.544 14.934 ( -6.474 3.853 9.778) 12.344 15.058 ( -6.022 -13.342 -2.153) 14.796 15.158 ( -9.839 -8.738 -3.418) 13.596 15.307 ( -10.575 -2.447 -0.159) 10.856 15.388 ( -5.487 -7.187 -3.146) 9.574 15.546 ( -0.581 -6.174 7.124) 9.445 15.709 ( -2.750 -3.321 -6.419) 7.733 15.831 ( -6.558 5.914 -4.788) 10.045 16.006 ( -1.505 -3.955 -7.988) 9.040 16.294 ( -0.121 0.338 -0.681) 0.769 16.374 ( -0.544 2.998 -3.397) 4.564 16.601 ( -1.399 9.480 2.495) 9.902 16.610 ( 4.086 3.300 4.381) 6.839 16.966 ( -3.395 -7.426 -10.772) 13.517 17.189 ( 2.750 -3.887 9.126) 10.293 17.267 ( -4.983 5.417 -11.177) 13.383 17.445 ( 3.390 1.228 4.462) 5.737 17.498 ( -8.436 -0.335 8.843) 12.226 17.581 ( -5.834 3.184 6.216) 9.100 17.950 ( -6.905 3.304 -6.445) 10.006 18.277 ( -3.076 0.152 -9.748) 10.223 18.532 ( -2.017 -3.427 12.346) 12.970 18.774 ( 8.370 -2.104 4.716) 9.835 24.825 ( -3.231 -0.459 -0.498) 3.302 24.907 ( -4.372 -1.754 1.049) 4.827 25.018 ( -3.104 4.055 0.941) 5.193 25.313 ( 0.613 -3.396 -1.520) 3.771 26.157 ( -6.586 1.371 2.627) 7.222 26.255 ( -5.156 -1.014 6.930) 8.697 26.491 ( -1.494 -0.021 -4.230) 4.486 26.568 ( 0.094 -2.707 -4.983) 5.672 26.777 ( -3.995 6.128 -0.814) 7.361 27.081 ( 0.035 -3.055 4.119) 5.128 27.218 ( -1.785 1.465 5.064) 5.566 27.349 ( -1.242 -3.965 11.405) 12.138 27.854 ( -8.755 0.752 -1.393) 8.897 28.148 ( -18.087 -5.840 -5.244) 19.716 28.886 ( 13.606 15.362 -7.536) 21.861 29.583 ( 18.247 -5.535 -2.877) 19.284 ======================= Grid point 218 (123/159) ======================= q-point: (-0.23 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -38.480 13.169 8.323) 41.513 2.417 ( -35.064 17.743 14.822) 42.000 3.399 ( -1.971 -15.999 5.908) 17.169 3.532 ( -18.714 -13.550 14.332) 27.189 3.759 ( -38.107 22.857 24.457) 50.722 4.123 ( 4.706 18.477 0.036) 19.067 4.330 ( -7.064 6.990 4.424) 10.878 4.529 ( 6.422 0.134 9.208) 11.227 4.804 ( 3.795 6.883 7.232) 10.680 4.899 ( -6.008 12.998 9.180) 17.010 5.382 ( -1.476 -7.468 12.068) 14.269 5.477 ( -5.703 2.166 -9.550) 11.332 5.687 ( 25.899 -18.140 -2.386) 31.710 5.851 ( 5.720 -7.431 -1.445) 9.488 6.140 ( -9.143 -4.687 1.329) 10.360 6.238 ( 11.174 6.919 0.336) 13.147 6.538 ( 3.688 -2.848 -12.308) 13.161 6.850 ( 10.454 4.059 -3.490) 11.745 6.950 ( 15.434 -7.446 0.855) 17.157 7.088 ( 8.246 -15.865 14.790) 23.204 7.240 ( 7.724 -7.167 0.563) 10.552 7.496 ( 15.560 -3.611 3.130) 16.277 7.786 ( 4.565 -2.482 1.715) 5.471 7.994 ( 23.306 7.504 10.532) 26.653 8.600 ( 15.881 -5.772 0.906) 16.922 8.813 ( 11.686 -5.338 -2.940) 13.179 8.894 ( 4.820 -1.079 -4.363) 6.590 9.004 ( 3.766 3.212 -2.905) 5.740 9.213 ( 13.672 -7.458 -0.298) 15.576 9.383 ( 13.837 -6.034 5.666) 16.123 9.578 ( 6.330 -2.955 4.826) 8.490 9.653 ( 14.339 -4.256 -5.125) 15.811 10.225 ( -13.189 7.708 2.210) 15.435 10.402 ( -13.590 0.480 5.183) 14.553 10.913 ( -0.509 0.254 -0.662) 0.873 11.049 ( 3.886 11.571 -1.650) 12.317 11.139 ( 12.276 5.677 -5.437) 14.577 11.232 ( 4.506 2.029 -3.236) 5.907 11.464 ( 3.107 4.539 -3.755) 6.660 11.582 ( 4.720 -1.798 0.177) 5.054 11.791 ( 2.659 -1.066 -4.247) 5.122 11.863 ( 2.630 -3.859 -1.926) 5.052 11.939 ( -1.191 0.009 3.539) 3.734 12.194 ( -6.122 3.076 3.033) 7.493 12.393 ( -5.396 2.970 1.711) 6.393 12.652 ( -2.947 -3.968 -3.052) 5.809 12.727 ( 2.754 1.334 9.357) 9.845 13.044 ( -12.151 -3.539 -12.561) 17.832 13.416 ( 1.315 4.310 1.645) 4.797 13.490 ( 4.961 -6.004 -4.736) 9.116 13.565 ( -9.021 -1.899 -6.631) 11.356 13.668 ( 0.414 4.370 2.798) 5.206 13.824 ( 0.611 6.497 -3.958) 7.633 14.063 ( -4.211 8.388 0.778) 9.418 14.153 ( -20.392 -5.301 -6.145) 21.948 14.294 ( -5.947 3.739 3.451) 7.827 14.552 ( -5.300 6.714 -4.056) 9.467 14.923 ( -12.935 -7.449 2.008) 15.061 14.969 ( -2.844 -12.261 -1.532) 12.680 14.977 ( -2.631 2.984 -1.671) 4.315 15.110 ( -9.104 2.239 -3.338) 9.952 15.235 ( -8.944 -1.238 -5.366) 10.503 15.484 ( -4.486 2.456 -7.343) 8.948 15.631 ( -0.420 -7.054 5.234) 8.794 15.752 ( -5.635 -6.288 -2.940) 8.941 15.911 ( -0.723 -6.076 -5.489) 8.220 16.256 ( 0.732 2.355 -7.921) 8.296 16.295 ( -0.829 -2.769 -3.658) 4.662 16.481 ( -5.472 8.675 -4.772) 11.313 16.687 ( -7.340 -5.251 -12.141) 15.128 16.890 ( 7.370 5.490 9.382) 13.134 16.986 ( -6.535 8.937 -11.489) 15.955 17.359 ( -4.244 -4.753 5.851) 8.651 17.421 ( -5.431 -3.928 3.543) 7.582 17.476 ( -7.896 -1.791 -4.498) 9.262 17.535 ( -2.207 -3.549 5.827) 7.170 18.035 ( 10.625 14.860 14.407) 23.265 18.138 ( -3.309 6.009 -1.977) 7.139 18.642 ( -2.807 -7.599 11.677) 14.212 18.964 ( 9.547 -3.047 3.337) 10.563 24.767 ( -3.536 -0.187 -0.154) 3.544 24.852 ( -4.655 -2.592 1.881) 5.650 24.982 ( -2.661 5.094 0.307) 5.755 25.290 ( -1.235 -3.344 -1.410) 3.834 26.088 ( -7.062 1.929 3.130) 7.962 26.297 ( -2.509 -4.086 4.870) 6.834 26.405 ( -2.974 1.516 1.156) 3.532 26.515 ( -0.764 -3.546 -2.285) 4.287 26.703 ( -3.736 5.811 -1.524) 7.075 27.069 ( -3.741 -5.828 1.028) 7.001 27.320 ( -1.215 3.667 6.760) 7.786 27.472 ( -1.101 -1.978 10.069) 10.320 27.713 ( -9.156 -8.314 1.653) 12.478 27.817 ( -15.744 -3.644 1.083) 16.196 28.975 ( 13.769 21.821 -12.703) 28.759 29.788 ( 16.868 -5.496 -9.082) 19.930 ======================= Grid point 219 (124/159) ======================= q-point: (-0.15 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -25.436 14.932 24.673) 38.454 2.221 ( -24.996 16.696 30.147) 42.572 3.339 ( -17.823 -15.561 13.745) 27.363 3.495 ( -11.139 -17.532 16.174) 26.326 3.649 ( -25.265 18.122 37.482) 48.699 4.249 ( 4.691 8.780 4.631) 10.979 4.338 ( 2.799 9.115 4.096) 10.378 4.810 ( 10.012 5.868 6.401) 13.254 4.900 ( 1.994 9.422 5.940) 11.315 4.942 ( -2.333 9.390 12.396) 15.725 5.226 ( -5.465 3.147 -13.681) 15.064 5.483 ( -8.802 -5.030 18.045) 20.698 5.917 ( 2.752 -14.408 -6.804) 16.169 5.978 ( 6.167 -5.500 -11.646) 14.280 6.131 ( -3.179 -8.152 14.340) 16.799 6.311 ( 20.026 -7.813 3.877) 21.843 6.636 ( 11.714 6.179 3.791) 13.776 6.866 ( 6.686 -5.182 -4.999) 9.826 7.225 ( 13.455 0.743 4.163) 14.103 7.328 ( 6.354 -13.849 9.732) 18.080 7.507 ( 16.529 2.112 -0.453) 16.670 7.764 ( 11.489 -14.137 2.776) 18.427 7.881 ( 9.910 2.056 -2.768) 10.492 8.444 ( 16.921 8.480 8.420) 20.715 8.764 ( 10.124 -6.115 -4.064) 12.506 8.842 ( 1.117 2.753 -10.559) 10.969 8.857 ( 3.967 -0.209 -7.812) 8.764 9.035 ( -1.115 4.497 2.210) 5.133 9.430 ( 9.609 -15.595 -2.329) 18.465 9.687 ( 16.043 -7.351 -1.426) 17.704 9.762 ( 7.803 -1.175 2.085) 8.162 9.854 ( 14.505 -0.485 3.748) 14.989 10.045 ( -10.817 10.006 1.737) 14.837 10.253 ( -7.665 -0.843 1.785) 7.915 10.801 ( -11.318 13.414 -5.798) 18.484 10.879 ( -7.872 3.227 0.248) 8.511 11.252 ( 3.675 5.931 -2.353) 7.363 11.384 ( 12.617 4.268 1.460) 13.399 11.472 ( 3.532 2.604 -2.545) 5.073 11.623 ( 7.572 -1.311 -7.326) 10.617 11.765 ( 1.036 -5.525 -4.699) 7.327 11.859 ( -1.495 -3.986 -2.528) 4.951 11.897 ( -3.952 2.188 -1.589) 4.788 12.151 ( -3.550 2.851 2.680) 5.283 12.348 ( -9.194 -3.680 -1.187) 9.974 12.458 ( -14.804 -3.458 -6.616) 16.579 12.571 ( -10.871 -0.474 -6.511) 12.680 12.887 ( -2.676 -5.895 7.739) 10.090 13.302 ( -12.850 -3.243 -10.621) 16.984 13.425 ( -2.071 3.639 -0.484) 4.215 13.554 ( -2.037 -4.951 -1.003) 5.447 13.715 ( 2.740 5.803 1.667) 6.630 13.826 ( 0.468 6.162 1.415) 6.340 13.901 ( -2.255 0.843 -0.963) 2.593 14.048 ( -3.428 3.096 4.457) 6.418 14.305 ( -3.903 7.614 -1.505) 8.688 14.433 ( 3.829 1.776 0.533) 4.254 14.632 ( -13.577 3.248 -7.966) 16.073 14.886 ( -4.980 -0.418 0.586) 5.032 14.944 ( -5.749 0.510 2.138) 6.155 15.011 ( 1.472 -3.147 -4.829) 5.949 15.140 ( -1.217 -3.800 4.133) 5.745 15.384 ( -5.277 -8.249 -2.462) 10.097 15.504 ( -13.957 -7.173 -12.054) 19.788 15.643 ( -0.809 -5.780 -1.704) 6.080 15.830 ( 1.685 -1.766 -7.021) 7.433 16.093 ( -5.298 1.605 -6.473) 8.517 16.287 ( 4.236 0.200 -0.001) 4.241 16.444 ( 0.181 3.326 -3.979) 5.190 16.508 ( -1.212 -2.133 0.114) 2.456 16.780 ( -3.517 12.965 -8.669) 15.988 17.056 ( 3.461 2.828 2.551) 5.146 17.199 ( -11.638 -0.366 -3.417) 12.134 17.259 ( -11.616 -1.955 -1.412) 11.864 17.429 ( -3.604 -7.493 4.801) 9.601 17.614 ( 1.731 -4.632 3.551) 6.088 18.141 ( 0.496 11.492 6.148) 13.043 18.437 ( 12.227 12.441 12.485) 21.451 18.754 ( 3.447 -11.906 9.332) 15.515 19.130 ( 8.537 -2.800 0.115) 8.985 24.720 ( -3.063 0.301 0.909) 3.209 24.814 ( -3.467 -2.433 2.172) 4.760 24.944 ( -2.831 4.911 0.668) 5.708 25.243 ( -2.442 -3.234 -1.536) 4.334 26.014 ( -6.674 2.128 2.390) 7.401 26.207 ( -4.645 -2.096 -4.635) 6.889 26.461 ( -1.478 -0.540 2.000) 2.544 26.512 ( 1.815 -2.789 2.437) 4.124 26.636 ( -2.510 3.287 -0.891) 4.231 27.018 ( -4.971 -8.803 1.267) 10.189 27.173 ( -12.531 3.075 -7.010) 14.685 27.392 ( -12.324 -8.197 -0.767) 14.821 27.764 ( 0.347 -5.557 17.361) 18.232 27.880 ( 1.329 -3.276 20.407) 20.711 29.007 ( 13.128 27.516 -16.131) 34.492 29.861 ( 11.420 -4.824 -15.474) 19.827 ======================= Grid point 220 (125/159) ======================= q-point: (-0.08 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -9.583 4.631 38.736) 40.172 2.418 ( -5.927 13.803 40.661) 43.347 3.275 ( -12.747 -18.323 16.203) 27.582 3.602 ( -2.539 -14.687 18.120) 23.462 3.811 ( -12.077 20.603 37.487) 44.448 4.285 ( 0.606 -5.913 -6.254) 8.628 4.455 ( 3.497 -2.860 -0.812) 4.590 4.880 ( 6.311 11.490 -6.790) 14.763 4.965 ( 1.527 3.197 -12.111) 12.618 5.014 ( -11.533 9.660 13.296) 20.077 5.177 ( 8.776 3.274 4.952) 10.596 5.600 ( -7.289 -1.329 23.222) 24.376 5.764 ( 5.798 7.528 -6.336) 11.420 6.049 ( 3.805 -7.335 1.104) 8.337 6.295 ( -3.992 -7.094 23.778) 25.133 6.772 ( 11.058 -16.678 6.935) 21.179 6.787 ( 12.589 2.065 0.923) 12.791 7.051 ( 15.383 1.949 5.864) 16.578 7.426 ( 3.715 -0.696 2.591) 4.582 7.503 ( 6.827 -9.017 2.688) 11.625 7.655 ( 7.452 4.196 -4.732) 9.775 7.823 ( 0.678 -0.891 -2.765) 2.983 8.059 ( 13.078 -6.298 -3.386) 14.905 8.608 ( -3.839 8.504 -7.101) 11.726 8.722 ( 0.772 -4.060 -2.944) 5.074 8.826 ( 4.097 8.786 -4.488) 10.683 8.872 ( 8.165 0.402 -3.698) 8.972 8.984 ( -5.018 3.192 0.382) 5.960 9.380 ( -10.051 -8.221 -2.851) 13.294 9.614 ( -6.991 -8.821 -10.718) 15.542 9.888 ( -1.231 -1.908 3.026) 3.784 9.967 ( 6.478 -2.662 3.436) 7.801 10.173 ( 11.844 1.376 0.767) 11.949 10.271 ( 3.512 -1.779 -0.695) 3.998 10.646 ( -1.362 15.297 2.632) 15.581 10.881 ( 3.898 -0.127 5.174) 6.479 11.231 ( -3.351 6.636 -1.837) 7.657 11.494 ( -1.600 1.390 0.941) 2.319 11.528 ( 5.479 0.076 -2.560) 6.048 11.569 ( -4.177 -0.699 -11.476) 12.233 11.728 ( -3.803 -2.634 -0.990) 4.731 11.782 ( 10.530 -3.571 -8.101) 13.758 11.874 ( 0.367 2.558 2.009) 3.273 12.025 ( -16.751 -3.139 1.163) 17.082 12.158 ( -0.359 2.401 -4.135) 4.795 12.274 ( 1.670 2.961 -4.143) 5.359 12.527 ( -2.933 -4.374 4.230) 6.754 12.767 ( -18.976 -2.356 -3.629) 19.463 13.020 ( -2.970 -7.084 -4.530) 8.917 13.340 ( -8.189 2.737 -6.707) 10.933 13.515 ( 2.209 4.413 -1.392) 5.127 13.616 ( -8.769 -2.760 4.114) 10.072 13.913 ( 4.064 -2.057 -0.010) 4.554 13.971 ( 7.293 3.076 2.112) 8.193 14.034 ( -1.029 1.557 -4.913) 5.256 14.196 ( -0.176 9.131 -3.982) 9.963 14.434 ( -1.191 3.566 0.147) 3.762 14.671 ( 8.976 5.764 6.228) 12.352 14.798 ( -4.818 -0.718 -4.118) 6.379 14.861 ( -4.797 1.589 -3.486) 6.140 14.966 ( -7.352 -0.843 4.986) 8.923 15.074 ( -12.810 -6.506 -11.386) 18.332 15.235 ( 4.052 -10.788 5.736) 12.873 15.328 ( -3.311 -9.507 1.868) 10.239 15.591 ( -1.156 -5.641 -3.333) 6.653 15.816 ( 2.907 -5.944 -3.232) 7.364 16.037 ( 0.953 9.096 0.923) 9.192 16.336 ( -1.199 1.298 -4.037) 4.407 16.404 ( 7.525 1.625 -0.778) 7.738 16.550 ( -1.136 4.285 0.480) 4.459 16.646 ( -1.698 13.709 -7.090) 15.527 16.963 ( -10.724 -0.047 -5.272) 11.950 17.105 ( 1.461 -1.589 1.457) 2.604 17.178 ( -0.826 -0.814 6.311) 6.417 17.423 ( -2.540 -6.584 1.731) 7.266 17.647 ( -1.671 -3.197 1.380) 3.863 18.263 ( 2.523 9.004 8.978) 12.964 18.590 ( -3.452 4.048 6.155) 8.135 18.987 ( 12.594 -7.156 1.882) 14.607 19.211 ( 4.269 -1.876 -3.571) 5.873 24.698 ( -1.696 0.727 1.749) 2.543 24.793 ( -1.856 -1.167 0.937) 2.384 24.924 ( -1.876 3.331 2.574) 4.609 25.184 ( -2.113 -2.997 -2.143) 4.247 25.950 ( -4.500 1.814 1.656) 5.127 26.095 ( -2.010 -1.446 -4.798) 5.399 26.409 ( -4.772 1.388 -0.499) 4.995 26.544 ( -1.227 -2.424 0.396) 2.746 26.579 ( -0.692 0.432 -3.165) 3.268 26.835 ( -11.677 2.670 -6.026) 13.408 27.052 ( -0.844 -8.016 2.912) 8.571 27.252 ( -5.721 -11.571 0.927) 12.941 27.993 ( -0.765 -1.347 19.959) 20.019 28.221 ( 5.832 -3.557 23.747) 24.710 28.991 ( 10.632 25.306 -17.212) 32.399 29.764 ( 3.793 -3.978 -19.662) 20.416 ======================= Grid point 221 (126/159) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -1.754 9.795 30.325) 31.916 2.931 ( -0.271 -18.977 20.724) 28.102 3.151 ( -1.557 13.855 32.109) 35.005 3.463 ( 1.383 -17.594 20.204) 26.826 3.901 ( 0.830 -3.173 -22.430) 22.669 4.004 ( -0.030 -12.326 -26.734) 29.438 4.646 ( 2.871 11.188 -12.212) 16.809 4.761 ( 3.457 -2.366 -21.749) 22.149 5.106 ( -5.133 23.703 29.646) 38.303 5.371 ( -3.641 15.756 10.852) 19.475 5.551 ( -0.498 -9.617 31.798) 33.224 5.733 ( -0.142 -14.120 6.723) 15.640 5.834 ( 2.919 9.380 17.408) 19.989 6.164 ( 2.519 -16.061 14.284) 21.641 6.414 ( 4.470 11.776 4.221) 13.284 6.669 ( 9.109 -10.116 -5.857) 14.819 7.098 ( -3.638 11.793 5.291) 13.427 7.270 ( -12.677 -2.481 2.029) 13.076 7.349 ( 5.240 2.779 2.106) 6.295 7.511 ( 12.224 -11.056 5.714) 17.444 7.698 ( -0.925 5.899 0.010) 5.971 7.813 ( -1.677 -2.729 -2.960) 4.362 8.297 ( 8.254 8.283 -0.566) 11.707 8.423 ( -10.447 -1.257 -3.830) 11.198 8.627 ( -0.698 0.315 -4.248) 4.317 8.733 ( -14.096 -6.296 -6.769) 16.857 9.029 ( -2.102 9.028 -0.239) 9.273 9.078 ( 3.612 3.509 -1.374) 5.220 9.160 ( -4.190 -3.133 2.187) 5.670 9.261 ( 2.728 -10.677 -3.583) 11.588 9.792 ( -3.621 -0.086 -1.502) 3.921 9.866 ( 5.724 -9.434 -4.290) 11.840 10.329 ( 0.422 4.580 0.428) 4.619 10.351 ( 2.049 2.585 -0.715) 3.375 10.912 ( 3.258 5.862 3.074) 7.377 11.001 ( 5.195 -3.044 0.398) 6.034 11.196 ( -6.788 5.173 -3.656) 9.284 11.266 ( -10.068 -2.061 -6.086) 11.944 11.455 ( -8.230 2.241 4.559) 9.672 11.559 ( -0.569 -7.418 -0.296) 7.446 11.729 ( -1.851 3.645 -1.402) 4.322 11.752 ( -6.125 1.260 1.110) 6.351 11.842 ( 10.398 -2.056 -4.223) 11.410 11.900 ( 2.699 -6.868 -7.229) 10.331 12.201 ( 4.392 8.685 1.343) 9.825 12.323 ( 5.070 -2.062 1.053) 5.574 12.455 ( -2.572 -1.070 -1.726) 3.277 12.488 ( -2.405 -2.121 -4.654) 5.652 13.000 ( 2.007 2.543 -2.007) 3.810 13.082 ( -3.451 -4.506 -6.014) 8.269 13.622 ( -1.225 6.423 -0.276) 6.545 13.681 ( 6.206 1.717 -3.065) 7.131 13.895 ( 2.575 0.106 -0.359) 2.602 13.926 ( 0.299 -0.343 -3.683) 3.711 14.174 ( 2.974 4.103 0.082) 5.068 14.345 ( 7.153 -8.919 -6.607) 13.205 14.494 ( -0.986 7.913 1.208) 8.066 14.554 ( -6.742 2.001 -8.195) 10.799 14.616 ( -5.397 -2.723 -3.031) 6.763 14.677 ( 1.226 -7.861 -1.913) 8.183 14.976 ( 0.434 2.496 2.506) 3.564 15.015 ( 0.934 -0.749 1.297) 1.765 15.220 ( 3.140 -1.465 8.945) 9.592 15.268 ( 3.167 -4.746 7.915) 9.758 15.520 ( -1.813 0.921 -0.532) 2.102 15.592 ( -3.014 -7.225 -2.469) 8.209 16.284 ( -2.690 4.554 0.508) 5.314 16.297 ( -1.478 1.663 -1.046) 2.459 16.613 ( -2.504 5.976 -0.744) 6.522 16.634 ( 8.368 5.207 3.548) 10.475 16.719 ( -3.282 1.019 -4.028) 5.295 16.766 ( -2.595 1.330 -1.700) 3.375 17.202 ( 7.676 1.630 2.205) 8.151 17.274 ( 7.187 -3.584 4.962) 9.440 17.307 ( -5.528 2.534 -2.699) 6.653 17.467 ( -3.748 -9.556 -3.823) 10.954 18.533 ( -0.257 5.279 7.600) 9.257 18.589 ( -4.794 -0.222 4.875) 6.840 19.066 ( 3.267 0.567 -1.965) 3.854 19.123 ( 1.021 -4.321 -4.371) 6.231 24.741 ( 0.255 2.011 2.631) 3.321 24.776 ( 0.260 -1.293 1.847) 2.269 24.993 ( 0.028 3.390 0.433) 3.417 25.067 ( -0.078 -4.087 -2.167) 4.627 25.958 ( -0.845 2.094 0.218) 2.269 25.999 ( -0.049 -2.264 -1.928) 2.974 26.389 ( -0.795 1.694 -0.450) 1.924 26.420 ( -1.514 -1.830 -1.821) 2.993 26.677 ( 4.689 4.169 2.115) 6.621 26.724 ( -4.073 2.044 0.677) 4.607 26.952 ( 1.362 -4.249 1.327) 4.655 27.014 ( -2.987 -8.219 -0.776) 8.779 28.324 ( -0.071 8.243 21.985) 23.479 28.477 ( 2.612 -7.515 23.199) 24.525 29.210 ( 1.950 13.763 -22.477) 26.428 29.412 ( -0.854 -7.996 -22.963) 24.331 ======================= Grid point 222 (127/159) ======================= q-point: ( 0.08 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 3.148 5.079 29.486) 30.085 3.240 ( 7.565 -17.247 19.122) 26.839 3.507 ( 6.209 4.540 10.952) 13.384 3.589 ( 8.110 -7.861 -19.575) 22.600 3.717 ( 2.873 -2.912 -8.084) 9.060 3.804 ( 3.289 -7.712 7.049) 10.954 4.442 ( -0.612 2.390 -16.650) 16.832 4.513 ( -1.414 -4.252 -20.517) 21.001 5.357 ( -7.288 16.658 13.009) 22.357 5.427 ( -6.944 7.484 11.382) 15.290 5.851 ( 3.106 -1.419 13.615) 14.037 5.910 ( -0.394 -6.428 -1.715) 6.664 6.011 ( 4.280 10.308 20.164) 23.047 6.226 ( -5.238 -8.362 1.657) 10.005 6.423 ( 1.678 11.024 -8.983) 14.319 6.667 ( 6.679 -9.022 -12.903) 17.103 7.045 ( -12.925 3.594 9.375) 16.366 7.105 ( -17.985 -2.698 11.749) 21.651 7.348 ( -5.354 11.615 -7.177) 14.666 7.592 ( -3.483 -8.242 -8.886) 12.610 7.626 ( -10.049 7.150 1.129) 12.384 7.715 ( -0.212 -5.418 3.212) 6.302 8.081 ( -19.009 8.419 -1.502) 20.844 8.359 ( -9.589 -17.500 2.016) 20.057 8.598 ( 5.146 7.737 0.482) 9.304 8.765 ( 8.246 -8.512 4.035) 12.519 8.912 ( -7.897 8.807 1.700) 11.951 8.999 ( -8.625 -1.019 -0.225) 8.688 9.159 ( -0.271 3.267 0.334) 3.295 9.300 ( 3.329 -6.965 -1.548) 7.873 9.829 ( 8.757 5.139 0.303) 10.158 9.991 ( 12.576 -12.754 -0.709) 17.925 10.260 ( -6.071 6.722 -0.328) 9.064 10.335 ( -2.205 -1.234 -1.923) 3.175 10.911 ( -2.753 6.247 -2.294) 7.202 10.999 ( -0.240 -2.303 -2.804) 3.636 11.164 ( -4.315 3.603 3.686) 6.722 11.183 ( -4.174 0.986 2.944) 5.202 11.345 ( -10.460 -1.210 5.669) 11.959 11.418 ( -8.338 -4.253 2.171) 9.609 11.633 ( 1.210 -0.331 -3.995) 4.188 11.672 ( -4.125 -4.819 -0.580) 6.370 11.982 ( 5.255 4.363 -1.996) 7.115 12.050 ( 13.413 -2.707 -2.923) 13.992 12.204 ( 0.912 7.470 -1.678) 7.710 12.340 ( 2.529 -5.680 -3.904) 7.341 12.531 ( 12.259 1.620 2.770) 12.672 12.561 ( 9.789 -1.919 -1.742) 10.126 12.926 ( -3.734 2.267 -2.467) 5.017 13.024 ( -0.437 -7.692 -0.694) 7.736 13.610 ( 1.971 9.586 -1.269) 9.868 13.742 ( 5.553 -2.067 -4.000) 7.149 13.920 ( 3.572 2.238 -2.180) 4.745 13.948 ( 4.662 0.623 -0.859) 4.781 14.149 ( -3.566 -2.223 -1.227) 4.378 14.203 ( -6.041 -8.267 -8.301) 13.181 14.537 ( 6.476 6.854 -0.552) 9.446 14.575 ( 7.924 7.933 0.923) 11.251 14.675 ( 11.794 -1.525 2.094) 12.075 14.782 ( 11.998 -6.748 -0.605) 13.779 14.990 ( -0.454 2.090 1.073) 2.393 15.060 ( 3.360 -5.168 0.456) 6.181 15.290 ( -5.177 -0.066 4.092) 6.600 15.346 ( -3.465 -4.738 1.260) 6.004 15.518 ( 1.577 -0.347 2.193) 2.723 15.551 ( 2.747 -4.366 -1.842) 5.477 16.198 ( -6.591 5.470 0.362) 8.573 16.255 ( -5.431 0.325 1.088) 5.549 16.495 ( -5.992 5.025 -0.244) 7.824 16.544 ( -8.373 -0.250 -2.971) 8.888 16.838 ( 9.241 8.018 2.486) 12.484 16.894 ( 12.440 6.771 -0.653) 14.178 17.147 ( -7.400 0.333 -3.800) 8.325 17.291 ( -2.869 -9.250 -1.267) 9.767 17.379 ( 5.999 0.897 -0.957) 6.140 17.472 ( 6.867 -7.378 2.508) 10.386 18.557 ( -5.206 5.256 3.257) 8.083 18.615 ( -0.365 -0.379 6.333) 6.355 19.028 ( -3.210 1.115 -3.272) 4.717 19.085 ( -0.107 -4.325 -2.758) 5.131 24.789 ( 2.210 1.872 1.771) 3.395 24.809 ( 2.453 0.242 -0.080) 2.466 25.019 ( 1.410 0.521 1.698) 2.268 25.052 ( 1.678 -2.648 -2.466) 3.988 25.981 ( 3.099 1.230 0.749) 3.417 26.010 ( 3.641 -1.876 -0.996) 4.215 26.422 ( 4.506 0.951 -0.063) 4.605 26.441 ( 5.643 -1.204 0.564) 5.797 26.662 ( -2.476 8.660 -0.872) 9.049 26.787 ( 5.530 -0.389 1.650) 5.784 26.969 ( 0.903 -3.759 -0.009) 3.865 27.053 ( 6.168 -8.638 1.339) 10.698 28.545 ( -4.481 12.328 19.475) 23.480 28.752 ( -1.373 -8.818 18.635) 20.661 28.939 ( -3.384 8.201 -18.360) 20.391 29.082 ( -5.447 -6.377 -22.346) 23.868 ======================= Grid point 223 (128/159) ======================= q-point: ( 0.15 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 8.580 4.530 -17.248) 19.790 3.393 ( 6.194 4.031 10.864) 13.139 3.519 ( 11.915 -9.363 -18.883) 24.211 3.604 ( 12.618 -14.929 3.595) 19.875 3.911 ( 13.454 5.467 -3.162) 14.862 4.064 ( 14.027 -8.046 3.124) 16.470 4.300 ( -4.017 2.063 4.556) 6.415 4.401 ( -0.320 -6.865 14.872) 16.383 5.231 ( -16.518 16.892 -0.728) 23.637 5.358 ( -14.639 3.673 5.516) 16.069 5.725 ( -10.241 -6.436 -8.240) 14.635 5.804 ( -13.044 -9.020 -5.958) 16.941 6.153 ( 3.866 10.020 -12.751) 16.672 6.254 ( 5.963 2.828 -5.134) 8.361 6.333 ( -0.632 11.155 -3.416) 11.684 6.622 ( 5.350 -9.726 -9.545) 14.640 6.841 ( -19.344 -1.026 -4.954) 19.995 6.894 ( -20.585 -1.117 1.171) 20.649 7.150 ( -7.700 11.718 1.365) 14.087 7.436 ( -8.184 -12.861 -2.043) 15.380 7.526 ( -8.401 6.916 2.597) 11.187 7.701 ( -2.998 -11.569 -1.857) 12.095 7.840 ( -12.587 17.573 4.672) 22.115 8.231 ( -11.645 -21.488 5.414) 25.033 8.617 ( -5.504 7.442 2.128) 9.498 8.715 ( -7.547 -1.842 -0.192) 7.770 8.925 ( -3.110 10.686 2.857) 11.490 9.013 ( 2.659 -1.800 3.487) 4.740 9.156 ( -1.982 5.110 3.749) 6.640 9.360 ( 3.366 -10.794 1.428) 11.396 9.919 ( -2.704 6.498 1.360) 7.169 10.024 ( -9.209 -2.538 -0.783) 9.584 10.292 ( 11.789 2.758 -1.702) 12.227 10.348 ( 12.935 -5.211 -4.870) 14.771 10.846 ( -5.482 7.031 1.004) 8.972 10.981 ( 0.725 -3.958 -3.411) 5.275 11.052 ( -10.772 -0.931 6.475) 12.603 11.056 ( -12.377 -1.673 8.251) 14.969 11.403 ( 3.359 5.273 8.271) 10.368 11.476 ( -2.254 -0.390 3.322) 4.033 11.587 ( -0.661 0.222 -1.856) 1.983 11.670 ( 4.758 -8.115 0.689) 9.432 11.952 ( 0.199 7.523 -1.357) 7.647 12.088 ( 2.878 -5.653 -5.193) 8.198 12.260 ( 2.968 6.931 -1.320) 7.654 12.376 ( 6.761 -4.124 -5.595) 9.696 12.636 ( 1.974 1.281 -2.005) 3.092 12.739 ( 3.964 -8.119 3.442) 9.668 12.970 ( 11.986 3.052 3.543) 12.866 13.073 ( 5.506 -8.638 4.502) 11.189 13.717 ( 8.498 9.388 5.264) 13.713 13.776 ( 4.412 5.697 -1.821) 7.433 13.898 ( -2.714 -4.563 -4.582) 7.013 13.990 ( 7.466 -6.075 -3.488) 10.238 14.120 ( 0.548 -0.135 1.084) 1.222 14.131 ( 4.362 -0.345 -2.001) 4.812 14.614 ( 1.534 10.553 -0.237) 10.667 14.669 ( 1.590 6.422 0.130) 6.617 14.911 ( 12.841 -2.323 -0.395) 13.055 14.962 ( 8.964 -5.506 1.146) 10.582 15.010 ( 2.093 3.280 0.854) 3.983 15.146 ( 6.691 -9.260 -1.356) 11.505 15.233 ( -2.557 -1.970 -0.226) 3.236 15.269 ( 1.462 -3.671 -1.599) 4.263 15.553 ( 2.639 2.142 -2.555) 4.252 15.606 ( 1.790 -3.183 2.345) 4.339 16.113 ( -3.400 5.238 -0.493) 6.265 16.176 ( -4.946 -0.520 0.559) 5.004 16.395 ( -7.164 3.930 -0.788) 8.209 16.445 ( -3.831 -1.525 2.585) 4.867 16.931 ( 0.872 11.109 -0.685) 11.165 17.013 ( -1.332 5.494 1.209) 5.781 17.113 ( 10.739 -1.775 0.955) 10.926 17.274 ( 5.658 -11.640 -1.482) 13.027 17.459 ( 4.177 3.349 -0.967) 5.440 17.567 ( 2.928 -7.356 0.210) 7.920 18.511 ( -3.712 9.656 0.744) 10.371 18.674 ( -0.337 -7.228 3.231) 7.924 18.916 ( -4.687 5.933 -4.358) 8.727 19.037 ( -2.574 -6.154 -1.914) 6.939 24.838 ( 3.236 1.937 -1.251) 3.973 24.851 ( 3.500 0.627 -0.456) 3.585 25.057 ( 2.284 -0.704 -1.964) 3.094 25.069 ( 1.369 -1.988 2.689) 3.613 26.066 ( 6.201 0.366 1.172) 6.321 26.082 ( 6.485 -1.335 -0.464) 6.637 26.510 ( 5.766 1.663 0.160) 6.003 26.544 ( 3.616 -1.558 -0.280) 3.947 26.666 ( 5.827 9.383 0.398) 11.052 26.873 ( 5.069 -10.581 -0.011) 11.732 27.053 ( 8.389 5.728 2.443) 10.448 27.189 ( 8.802 -7.351 2.194) 11.676 28.538 ( -7.712 8.816 -12.293) 16.980 28.678 ( -7.130 -6.112 -19.989) 22.085 28.741 ( -7.370 12.656 9.402) 17.404 28.973 ( -6.194 -11.092 17.739) 21.819 ======================= Grid point 224 (129/159) ======================= q-point: ( 0.23 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 16.612 12.950 -19.987) 29.037 3.468 ( 11.581 -4.286 -16.369) 20.504 3.585 ( 10.335 5.368 -7.397) 13.797 3.793 ( 20.701 -15.897 -12.339) 28.871 4.066 ( 3.471 -1.074 -1.485) 3.925 4.131 ( 8.777 -9.476 4.094) 13.550 4.496 ( -10.916 10.898 19.592) 24.935 4.721 ( 2.294 -9.431 22.042) 24.084 4.944 ( -10.631 18.796 -3.875) 21.939 5.163 ( -13.019 -2.283 4.183) 13.864 5.462 ( -11.155 -4.708 -2.444) 12.352 5.553 ( -6.206 -10.231 -4.586) 12.815 6.013 ( 4.100 8.375 -16.766) 19.184 6.187 ( 2.804 17.874 -18.628) 25.968 6.218 ( 0.934 -8.977 -9.679) 13.234 6.475 ( -18.649 7.681 -1.367) 20.215 6.550 ( 1.811 -14.127 -15.738) 21.226 6.579 ( -15.160 -5.595 -3.890) 16.621 7.033 ( -11.063 6.877 -1.076) 13.071 7.216 ( -15.857 -9.645 -5.955) 19.492 7.374 ( -9.235 7.056 -3.467) 12.128 7.599 ( -3.155 -14.168 -6.142) 15.761 7.817 ( -4.019 18.378 9.670) 21.152 8.167 ( -8.402 -15.741 9.889) 20.400 8.547 ( -5.386 3.575 -0.263) 6.470 8.602 ( -5.884 -1.298 -2.106) 6.382 8.870 ( -7.271 14.860 -0.601) 16.555 9.025 ( -4.973 -3.303 2.517) 6.479 9.138 ( -4.956 2.442 1.395) 5.699 9.304 ( -10.412 -10.932 -3.101) 15.413 9.815 ( -6.207 3.592 -3.407) 7.940 9.846 ( -7.651 1.263 -5.437) 9.471 10.485 ( 12.544 9.153 -1.734) 15.625 10.543 ( 15.947 0.218 -0.522) 15.957 10.771 ( -8.711 -0.888 5.928) 10.574 10.848 ( -11.753 -6.803 1.892) 13.711 11.023 ( -3.654 5.290 4.828) 8.040 11.150 ( -2.164 -7.908 8.919) 12.115 11.358 ( -6.569 8.071 0.601) 10.424 11.478 ( -4.217 -5.686 2.819) 7.620 11.622 ( 6.344 8.729 2.997) 11.199 11.794 ( 5.727 -9.052 0.548) 10.726 12.015 ( 3.491 7.976 1.741) 8.879 12.162 ( 6.235 -2.139 5.710) 8.721 12.274 ( 3.027 0.536 0.465) 3.109 12.401 ( 4.233 -7.797 -0.806) 8.908 12.616 ( 0.901 3.178 -0.510) 3.342 12.765 ( -0.851 -12.222 0.956) 12.289 13.243 ( 9.240 -0.014 5.952) 10.991 13.272 ( 11.380 -3.915 4.197) 12.746 13.749 ( -0.584 4.788 -1.142) 4.957 13.794 ( 0.407 2.180 -4.563) 5.073 13.999 ( 10.184 4.133 2.443) 11.259 14.041 ( 2.824 2.900 -6.565) 7.713 14.225 ( 5.308 0.804 5.920) 7.992 14.269 ( 12.989 -4.780 7.721) 15.849 14.544 ( -4.605 9.385 -4.406) 11.345 14.634 ( -4.488 1.200 -1.016) 4.756 14.977 ( 4.100 2.380 -5.717) 7.427 15.048 ( 3.023 1.731 1.032) 3.633 15.069 ( 4.648 -2.840 0.252) 5.453 15.179 ( 0.356 -9.409 3.794) 10.152 15.347 ( 9.151 -0.911 2.719) 9.590 15.390 ( 10.231 -5.477 0.172) 11.606 15.576 ( 4.628 4.544 -1.115) 6.581 15.645 ( 1.457 -1.969 1.332) 2.788 16.109 ( 2.961 1.476 0.386) 3.331 16.139 ( -0.712 -1.532 0.636) 1.806 16.316 ( -4.802 5.922 3.901) 8.564 16.424 ( -3.152 -5.719 3.239) 7.289 16.945 ( 2.177 10.271 1.301) 10.580 17.042 ( 1.175 -0.445 3.278) 3.510 17.304 ( 9.248 1.528 2.596) 9.727 17.366 ( 5.001 -2.984 -0.860) 5.886 17.498 ( 4.570 -0.117 -2.304) 5.119 17.591 ( 3.581 -7.575 -2.209) 8.665 18.454 ( -2.541 10.189 -2.814) 10.871 18.614 ( -7.463 -5.560 -5.113) 10.619 18.836 ( 1.482 4.784 -3.370) 6.037 18.964 ( -3.251 -6.801 -1.991) 7.797 24.865 ( 3.556 2.265 -2.616) 4.961 24.893 ( 3.353 -0.437 -1.444) 3.677 25.074 ( 2.103 1.113 -0.791) 2.507 25.118 ( 0.384 -3.198 2.907) 4.338 26.185 ( 7.098 -0.294 0.297) 7.110 26.191 ( 7.483 -0.805 0.702) 7.559 26.550 ( 1.143 2.558 -2.178) 3.548 26.570 ( 3.050 -0.177 -1.853) 3.573 26.803 ( 8.804 6.123 -0.159) 10.725 26.968 ( 7.391 -10.235 -0.893) 12.656 27.267 ( 11.879 6.447 5.884) 14.741 27.385 ( 11.470 -5.872 4.308) 13.587 28.217 ( -7.104 4.750 -18.309) 20.205 28.319 ( -6.039 -5.568 -19.477) 21.138 28.772 ( -10.626 16.774 14.892) 24.820 29.054 ( -10.356 -12.852 16.256) 23.166 ======================= Grid point 225 (130/159) ======================= q-point: ( 0.31 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 13.809 8.106 -9.663) 18.702 3.433 ( 1.389 -0.295 -8.920) 9.032 3.604 ( 11.473 12.675 -12.822) 21.370 3.921 ( 11.454 -17.829 -12.018) 24.362 4.093 ( -4.626 7.849 7.749) 11.961 4.299 ( 5.499 -14.496 5.349) 16.401 4.418 ( -1.631 17.484 -1.311) 17.608 4.688 ( -4.651 2.186 -2.154) 5.572 4.953 ( -1.673 -5.706 -0.734) 5.992 5.115 ( 0.051 -8.477 7.078) 11.044 5.482 ( 3.084 4.030 3.529) 6.181 5.552 ( 4.520 -0.796 -0.285) 4.599 5.842 ( -2.919 7.899 -13.235) 15.687 6.022 ( -3.038 5.637 -3.210) 7.163 6.119 ( -9.540 2.864 -10.281) 14.315 6.193 ( -4.226 2.192 -5.842) 7.537 6.279 ( -9.907 -7.463 -3.204) 12.810 6.511 ( 10.514 -17.751 -12.000) 23.867 6.761 ( -14.808 2.548 -5.682) 16.064 6.904 ( -13.020 -9.134 -1.422) 15.968 7.199 ( -5.716 10.390 -6.338) 13.446 7.461 ( -2.623 -15.227 -9.322) 18.045 7.876 ( -1.085 19.013 4.663) 19.607 8.173 ( -6.888 -9.897 9.243) 15.193 8.337 ( -9.369 7.697 -16.675) 20.617 8.466 ( -8.068 -4.436 -7.082) 11.616 8.724 ( -8.570 8.998 0.204) 12.428 8.887 ( -11.483 -5.018 -2.457) 12.770 9.051 ( -6.958 -0.265 -1.710) 7.170 9.148 ( -4.101 -7.861 4.376) 9.887 9.648 ( -5.184 2.676 -11.132) 12.568 9.679 ( -3.804 0.321 -6.273) 7.344 10.545 ( -5.325 7.952 -0.074) 9.570 10.673 ( -13.544 -3.455 2.818) 14.259 10.754 ( 6.500 1.176 1.392) 6.751 10.791 ( 7.635 -2.656 0.600) 8.106 10.961 ( -11.095 3.891 3.016) 12.139 10.999 ( -14.929 0.884 0.941) 14.985 11.412 ( 1.440 3.085 2.917) 4.483 11.507 ( 1.259 -6.541 5.215) 8.459 11.763 ( 4.838 5.042 3.113) 7.649 11.832 ( 0.041 -1.402 -3.772) 4.024 12.066 ( 3.356 8.145 3.833) 9.607 12.298 ( 2.801 -12.304 3.609) 13.124 12.371 ( 4.026 6.813 5.298) 9.523 12.508 ( 3.225 -7.392 2.949) 8.587 12.754 ( 7.470 -2.161 8.111) 11.237 12.799 ( 4.378 -6.336 6.293) 9.946 13.325 ( 0.101 4.855 -1.278) 5.022 13.437 ( 4.882 -6.573 0.172) 8.189 13.768 ( 3.574 5.388 -2.992) 7.124 13.818 ( 6.480 -0.013 -0.374) 6.491 13.963 ( -0.582 8.507 -5.101) 9.937 14.109 ( 7.806 -6.919 -0.721) 10.456 14.299 ( -1.714 12.521 0.517) 12.648 14.447 ( -2.388 5.641 -2.700) 6.694 14.555 ( 7.661 -3.496 6.587) 10.691 14.612 ( 0.852 -9.753 5.478) 11.218 15.006 ( 1.531 9.109 2.367) 9.535 15.122 ( 5.153 1.745 1.292) 5.592 15.238 ( 9.938 -5.724 6.817) 13.342 15.259 ( 4.800 -5.010 6.042) 9.200 15.439 ( 4.963 2.944 -0.517) 5.794 15.535 ( 3.451 -6.736 1.645) 7.746 15.676 ( 7.390 2.787 2.213) 8.202 15.722 ( 4.483 -2.306 3.314) 6.033 16.125 ( -1.125 1.098 -0.311) 1.603 16.177 ( 1.408 -4.099 0.743) 4.398 16.380 ( 2.053 4.860 10.854) 12.069 16.471 ( 2.297 -4.907 7.702) 9.417 17.007 ( 1.865 9.373 1.951) 9.753 17.077 ( -1.072 1.921 -0.528) 2.262 17.381 ( 1.498 -0.652 -0.134) 1.639 17.422 ( 1.823 -4.930 -1.476) 5.460 17.567 ( 8.585 3.555 -0.653) 9.315 17.680 ( 9.183 -7.377 -0.990) 11.821 18.352 ( -3.019 4.783 -6.856) 8.888 18.384 ( -8.404 2.311 -9.729) 13.062 18.819 ( 1.783 1.451 -5.179) 5.667 18.908 ( -0.404 -6.049 -2.659) 6.620 24.888 ( 3.383 2.310 -2.258) 4.678 24.923 ( 2.948 -1.039 -1.535) 3.483 25.099 ( 1.818 1.581 -0.177) 2.415 25.148 ( -0.798 -3.239 2.518) 4.180 26.287 ( 5.985 0.496 -0.521) 6.028 26.307 ( 5.836 -1.505 0.731) 6.071 26.543 ( 2.026 2.489 -3.043) 4.423 26.575 ( 2.783 -1.067 -4.072) 5.047 26.908 ( 6.222 6.879 -1.609) 9.414 27.053 ( 5.577 -8.113 -2.131) 10.073 27.511 ( 8.866 4.827 4.125) 10.905 27.606 ( 8.062 -5.208 2.187) 9.844 27.932 ( -2.118 5.896 -12.481) 13.965 28.064 ( 0.542 -7.344 -12.611) 14.603 28.768 ( -11.428 16.832 12.909) 24.095 29.051 ( -12.429 -13.046 12.815) 22.111 ======================= Grid point 226 (131/159) ======================= q-point: ( 0.38 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( -11.582 5.925 2.932) 13.336 3.371 ( -10.515 -5.309 2.677) 12.080 3.725 ( 16.857 12.210 -2.850) 21.009 3.938 ( 8.210 -9.307 -3.809) 12.982 4.199 ( 15.474 16.853 -2.997) 23.075 4.437 ( 7.192 9.953 -3.799) 12.854 4.524 ( 16.669 -13.436 -0.869) 21.427 4.666 ( 3.055 -4.228 -1.218) 5.357 4.932 ( 2.323 6.241 -4.782) 8.199 5.183 ( -0.923 -11.486 -0.254) 11.525 5.364 ( -10.999 10.136 -8.969) 17.441 5.425 ( -7.685 1.688 -14.709) 16.682 5.630 ( -9.812 7.461 -6.942) 14.147 5.886 ( -4.975 3.057 -3.893) 7.018 5.921 ( -11.188 -8.740 4.375) 14.856 5.983 ( -18.599 -13.602 -7.460) 24.219 6.308 ( 15.917 8.124 -1.658) 17.947 6.520 ( 6.490 -11.669 -2.802) 13.643 6.732 ( 5.748 2.495 8.401) 10.480 6.856 ( 1.719 -9.311 5.171) 10.789 7.028 ( -3.803 11.216 -10.289) 15.688 7.290 ( -3.008 -13.829 -11.738) 18.387 7.885 ( -1.038 14.859 -2.498) 15.104 7.928 ( -7.770 10.981 -22.453) 26.174 8.121 ( -13.739 -9.645 -7.981) 18.587 8.195 ( -3.034 -10.998 -2.159) 11.611 8.625 ( -6.935 5.064 3.062) 9.117 8.739 ( -8.274 -4.951 4.802) 10.771 8.984 ( -1.720 7.886 1.645) 8.238 9.177 ( -0.577 -11.372 3.436) 11.894 9.423 ( -3.213 4.776 -14.335) 15.447 9.539 ( -3.134 -4.478 -8.331) 9.964 10.372 ( -14.437 3.302 -0.690) 14.826 10.445 ( -15.612 -4.629 -1.818) 16.384 10.772 ( -8.306 4.225 1.080) 9.381 10.801 ( -6.635 1.488 2.281) 7.172 10.920 ( 4.654 0.386 0.243) 4.677 10.943 ( 4.424 -1.385 3.248) 5.661 11.429 ( -1.675 5.627 1.137) 5.980 11.561 ( -0.163 -7.593 1.963) 7.844 11.737 ( -3.334 2.911 -5.709) 7.223 11.770 ( -2.480 -1.730 -3.750) 4.818 12.180 ( 5.233 9.305 1.334) 10.758 12.394 ( 0.790 -6.232 1.034) 6.367 12.436 ( 1.286 2.318 0.020) 2.651 12.510 ( -3.800 -6.653 0.111) 7.662 12.922 ( 7.523 8.097 6.341) 12.742 13.056 ( 6.892 -4.928 7.130) 11.073 13.359 ( 3.685 4.148 4.468) 7.124 13.464 ( 1.050 -3.785 1.398) 4.170 13.762 ( 4.776 2.542 -2.720) 6.056 13.825 ( 2.783 -3.537 -5.912) 7.430 14.059 ( 6.002 12.224 5.526) 14.697 14.221 ( 3.117 -0.617 2.177) 3.852 14.354 ( 2.164 0.855 9.613) 9.891 14.404 ( -1.336 2.894 1.661) 3.594 14.645 ( -0.109 0.984 4.530) 4.637 14.757 ( 5.805 -11.562 5.538) 14.072 15.064 ( -0.012 7.007 6.388) 9.481 15.193 ( 1.436 -3.987 2.615) 4.980 15.375 ( -1.019 1.342 3.593) 3.968 15.469 ( 8.576 -2.337 4.962) 10.180 15.567 ( 5.231 -2.195 -2.099) 6.049 15.583 ( 9.097 -3.241 -1.926) 9.847 15.824 ( 6.265 0.473 4.958) 8.003 15.849 ( 6.478 -3.097 3.018) 7.788 16.121 ( -1.943 1.355 6.318) 6.747 16.176 ( -2.116 -4.636 2.545) 5.696 16.589 ( 3.346 4.742 13.731) 14.907 16.653 ( 4.516 -2.036 9.781) 10.964 16.976 ( -4.664 7.240 -6.123) 10.567 17.028 ( -2.570 3.141 2.031) 4.538 17.362 ( -0.323 -0.101 -5.035) 5.047 17.434 ( 2.152 -5.996 -1.623) 6.574 17.710 ( 6.460 3.804 3.107) 8.115 17.794 ( 5.619 -4.771 -0.173) 7.373 18.170 ( -1.795 4.411 -9.937) 11.019 18.231 ( -1.013 -1.678 -6.474) 6.764 18.766 ( 0.706 3.355 -6.539) 7.384 18.859 ( -0.080 -5.363 -6.054) 8.089 24.917 ( 2.737 2.317 -0.977) 3.717 24.948 ( 1.896 -0.752 -0.517) 2.104 25.126 ( 2.039 0.324 -0.346) 2.093 25.155 ( -1.637 -2.473 1.839) 3.489 26.352 ( 3.846 0.925 -1.082) 4.101 26.379 ( 2.966 -1.747 -0.209) 3.449 26.537 ( 2.148 2.300 -3.388) 4.624 26.567 ( 3.393 -0.886 -5.096) 6.186 26.964 ( 3.610 6.474 -1.426) 7.549 27.084 ( 2.099 -6.078 -2.456) 6.883 27.510 ( -2.433 3.206 -10.026) 10.804 27.576 ( -0.944 -4.195 -9.880) 10.775 27.980 ( 9.879 5.630 4.372) 12.182 28.103 ( 8.542 -6.755 3.267) 11.369 28.747 ( -8.509 14.031 9.953) 19.192 28.990 ( -12.211 -11.532 9.065) 19.086 ======================= Grid point 227 (132/159) ======================= q-point: ( 0.46 0.40 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( -1.107 1.072 9.359) 9.485 3.275 ( -9.508 -3.380 10.501) 14.563 3.947 ( 11.003 7.332 -0.844) 13.249 4.061 ( 10.879 -4.060 -4.444) 12.433 4.394 ( 6.431 15.317 -5.962) 17.650 4.480 ( 7.783 10.703 -4.591) 14.007 4.680 ( -3.335 0.285 0.301) 3.361 4.752 ( 12.689 -5.985 -5.101) 14.928 4.855 ( -1.067 11.559 -3.740) 12.196 5.056 ( -1.593 3.614 -6.305) 7.440 5.105 ( -5.430 -1.906 -5.530) 7.981 5.211 ( -2.539 -9.663 -7.467) 12.473 5.385 ( -10.429 -0.439 -6.270) 12.177 5.575 ( -18.266 -14.750 -8.289) 24.898 5.835 ( 1.377 2.658 5.075) 5.892 5.885 ( -1.222 -2.954 3.537) 4.767 6.521 ( 8.383 5.316 -0.735) 9.954 6.620 ( 4.325 -3.762 -2.327) 6.186 6.824 ( -0.970 15.397 -11.655) 19.335 6.899 ( 2.170 2.120 0.070) 3.035 6.966 ( 3.019 -5.270 4.449) 7.529 7.114 ( -1.431 -9.515 -8.174) 12.625 7.532 ( -5.934 -0.489 -20.124) 20.986 7.696 ( -8.014 -11.915 -17.790) 22.862 8.006 ( 2.412 8.327 7.263) 11.310 8.210 ( 1.364 -10.953 3.629) 11.619 8.601 ( -3.341 6.186 6.531) 9.597 8.736 ( -5.120 -5.559 10.636) 13.048 9.011 ( 0.596 8.651 2.814) 9.116 9.128 ( -4.399 3.233 -7.224) 9.055 9.270 ( 1.749 -5.581 -7.973) 9.888 9.395 ( 1.174 -10.466 -10.328) 14.751 10.160 ( -8.119 1.131 -2.429) 8.550 10.200 ( -9.817 -3.993 -3.440) 11.143 10.707 ( -4.984 2.089 4.819) 7.241 10.733 ( -5.398 -0.486 2.855) 6.125 10.981 ( 3.806 2.551 -2.748) 5.342 11.041 ( 3.902 -3.050 0.604) 4.989 11.397 ( -3.466 6.437 0.514) 7.328 11.536 ( -3.502 -7.594 -3.381) 9.021 11.655 ( -0.262 2.367 0.896) 2.544 11.690 ( -1.125 -1.377 -1.246) 2.171 12.238 ( 3.557 8.017 -3.772) 9.548 12.328 ( -1.204 3.745 -5.203) 6.523 12.395 ( -2.484 3.008 -2.343) 4.550 12.488 ( 1.256 -8.402 -3.500) 9.188 13.031 ( 1.519 5.550 -0.840) 5.815 13.118 ( 1.917 -3.948 -5.659) 7.161 13.473 ( 2.721 7.502 5.748) 9.835 13.551 ( 2.274 0.546 3.296) 4.041 13.860 ( 6.528 2.852 4.372) 8.358 13.973 ( 7.310 -4.036 14.860) 17.045 14.113 ( 0.381 12.003 -1.598) 12.114 14.310 ( 2.131 -5.565 -0.057) 5.959 14.404 ( -3.885 5.452 11.553) 13.352 14.531 ( -1.586 -4.556 13.523) 14.357 14.704 ( -0.394 8.298 5.406) 9.911 14.897 ( 3.567 -9.872 4.798) 11.541 15.162 ( 0.014 1.351 7.834) 7.950 15.245 ( -1.598 -7.656 4.232) 8.892 15.360 ( 0.941 4.128 -2.568) 4.952 15.537 ( 1.713 -9.971 -4.905) 11.243 15.601 ( 3.748 0.417 -4.569) 5.924 15.644 ( 1.215 -3.605 -1.880) 4.243 15.930 ( 5.714 1.572 -1.569) 6.130 15.981 ( 5.172 -2.649 1.871) 6.105 16.212 ( -1.101 2.266 10.744) 11.036 16.288 ( 3.629 -4.804 14.356) 15.568 16.717 ( -0.480 4.392 -1.508) 4.668 16.761 ( -0.194 1.695 3.518) 3.910 16.836 ( -3.893 9.760 -3.502) 11.076 17.021 ( -3.960 -7.602 3.091) 9.112 17.301 ( -1.649 5.779 0.483) 6.029 17.407 ( -2.775 -3.906 0.280) 4.800 17.791 ( 1.004 3.814 0.037) 3.944 17.861 ( 2.396 -3.739 0.639) 4.487 18.104 ( 4.038 4.684 -4.200) 7.476 18.210 ( 4.496 -6.135 -1.644) 7.782 18.681 ( -0.121 3.357 -8.341) 8.992 18.750 ( -1.859 -3.428 -9.231) 10.021 24.942 ( 0.474 2.087 0.574) 2.216 24.964 ( 0.280 0.081 0.252) 0.385 25.142 ( -1.532 -0.643 0.946) 1.912 25.160 ( 2.675 -2.327 -0.643) 3.603 26.383 ( 1.086 0.259 -0.347) 1.169 26.395 ( -0.551 -0.831 -0.328) 1.050 26.525 ( 2.357 2.238 -4.041) 5.187 26.554 ( 3.587 -0.835 -5.698) 6.784 26.989 ( 0.982 4.857 -0.260) 4.962 27.065 ( -1.066 -2.824 -1.521) 3.380 27.349 ( -2.515 2.617 -8.542) 9.282 27.425 ( -1.820 -5.156 -9.926) 11.332 28.203 ( 9.721 3.707 5.039) 11.560 28.252 ( 0.969 -0.869 5.708) 5.855 28.780 ( 0.894 5.547 6.756) 8.787 28.907 ( -9.429 -7.213 5.493) 13.081 ======================= Grid point 228 (133/159) ======================= q-point: (-0.46 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( -2.010 3.264 8.701) 9.508 3.402 ( 5.630 -5.139 7.690) 10.827 3.941 ( -6.247 6.899 -6.381) 11.284 4.042 ( -3.686 -3.293 -12.650) 13.581 4.241 ( -15.787 11.500 5.958) 20.420 4.439 ( -8.735 -4.907 -2.728) 10.384 4.584 ( -6.740 15.568 -0.861) 16.987 4.802 ( 5.174 3.450 -6.261) 8.825 4.886 ( 4.373 13.720 1.339) 14.462 5.019 ( 2.749 1.134 -6.520) 7.166 5.059 ( -3.492 -5.782 -4.194) 7.951 5.243 ( 11.148 -0.737 -7.020) 13.195 5.274 ( 13.610 -7.602 3.893) 16.068 5.350 ( 1.883 -15.801 -5.664) 16.891 5.981 ( 2.433 3.744 9.746) 10.720 6.024 ( 7.626 -0.235 10.524) 12.999 6.461 ( -4.633 0.821 -11.811) 12.714 6.468 ( -2.369 1.102 -11.415) 11.710 6.784 ( -1.282 15.482 -6.057) 16.674 6.808 ( -1.280 11.577 -6.603) 13.389 7.033 ( 3.516 -3.578 3.178) 5.939 7.142 ( 1.196 -4.517 7.562) 8.889 7.245 ( -7.404 -13.259 -13.193) 20.117 7.418 ( -3.295 -20.087 -10.388) 22.853 8.163 ( 2.728 4.884 7.669) 9.493 8.301 ( 5.104 -7.913 0.204) 9.418 8.678 ( 1.558 7.445 8.382) 11.319 8.800 ( -4.744 -1.918 10.364) 11.559 8.960 ( -1.037 2.683 -3.795) 4.762 9.088 ( 3.074 2.361 -0.919) 3.983 9.173 ( 1.462 -2.930 -8.584) 9.188 9.372 ( 8.554 -14.457 -9.558) 19.327 10.111 ( 4.248 -1.196 -0.263) 4.421 10.128 ( 4.977 -2.590 -0.050) 5.611 10.692 ( -4.119 1.660 2.849) 5.277 10.720 ( -2.452 -0.911 5.152) 5.778 10.992 ( 2.835 2.815 -1.738) 4.357 11.065 ( 3.261 -4.484 -4.059) 6.872 11.361 ( -2.546 5.639 2.110) 6.537 11.449 ( -1.129 -3.132 -2.596) 4.222 11.707 ( 0.791 0.219 4.065) 4.147 11.721 ( 1.927 -0.726 2.995) 3.634 12.213 ( 3.272 6.897 -5.313) 9.301 12.294 ( 5.311 2.146 -6.434) 8.615 12.358 ( -1.494 6.838 0.521) 7.019 12.430 ( 0.039 -1.619 -6.578) 6.775 13.013 ( -0.616 1.613 -1.606) 2.358 13.068 ( 1.900 -5.191 -4.973) 7.435 13.535 ( -0.361 4.233 1.850) 4.634 13.587 ( 0.845 0.121 -0.699) 1.103 14.019 ( -6.130 14.697 -1.588) 16.003 14.053 ( 5.598 12.510 5.980) 14.953 14.249 ( 0.464 -8.759 5.872) 10.555 14.271 ( -2.111 -8.228 1.891) 8.703 14.524 ( -2.424 7.457 14.106) 16.139 14.665 ( -5.725 -6.816 14.955) 17.404 14.738 ( -2.312 11.831 6.778) 13.830 14.971 ( -0.427 -8.617 3.191) 9.199 15.133 ( -6.266 0.119 -5.124) 8.095 15.232 ( -5.073 -8.606 3.937) 10.737 15.364 ( -4.533 0.846 0.902) 4.699 15.459 ( -0.582 -8.180 -8.745) 11.989 15.583 ( 1.604 -2.474 -3.982) 4.955 15.607 ( 1.572 -3.629 -3.839) 5.512 16.007 ( 5.203 1.932 0.327) 5.560 16.058 ( 4.080 -3.347 -0.762) 5.332 16.349 ( -0.367 7.945 11.809) 14.238 16.495 ( 1.667 -6.472 10.744) 12.653 16.635 ( -1.123 8.485 -8.498) 12.061 16.741 ( 0.901 -0.134 -5.018) 5.100 16.786 ( -1.436 1.658 3.658) 4.266 16.900 ( -6.796 -6.702 -4.824) 10.695 17.352 ( -2.924 5.217 11.102) 12.610 17.421 ( -3.677 -1.229 9.197) 9.981 17.765 ( -1.854 4.547 -3.418) 5.983 17.831 ( 0.017 -2.124 -8.275) 8.543 18.172 ( 1.274 2.892 5.741) 6.553 18.276 ( 2.703 -7.358 0.224) 7.842 18.572 ( 0.291 2.117 -8.255) 8.527 18.602 ( -0.989 -0.876 -9.583) 9.674 24.933 ( -2.800 1.855 1.001) 3.505 24.963 ( -1.754 -0.725 0.950) 2.122 25.129 ( -0.731 2.286 0.166) 2.406 25.197 ( 3.063 -4.351 -1.036) 5.421 26.345 ( -4.919 0.805 -0.174) 4.987 26.360 ( -4.545 -0.811 0.464) 4.640 26.531 ( 5.087 1.751 -4.635) 7.101 26.559 ( 5.163 -1.187 -4.564) 6.993 26.983 ( -2.801 3.678 1.410) 4.833 27.031 ( -1.701 -0.080 0.100) 1.706 27.235 ( -2.946 0.771 -3.270) 4.469 27.297 ( -2.145 -4.614 -6.021) 7.883 28.247 ( -7.392 6.593 3.002) 10.350 28.350 ( 1.828 -3.718 1.688) 4.473 28.869 ( 0.129 2.916 2.647) 3.940 28.944 ( 10.748 -4.528 4.066) 12.351 ======================= Grid point 229 (134/159) ======================= q-point: (-0.38 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( -5.040 7.134 2.905) 9.205 3.425 ( -13.457 0.827 1.830) 13.606 3.684 ( -23.339 4.155 -6.270) 24.521 3.728 ( -13.880 -0.756 -1.663) 14.000 4.138 ( -5.832 4.542 6.605) 9.913 4.276 ( -12.088 -8.422 6.518) 16.110 4.514 ( 2.389 9.694 -5.231) 11.271 4.729 ( 0.142 -6.340 -5.430) 8.349 4.917 ( 0.683 13.908 -3.623) 14.388 5.005 ( 4.213 14.854 -0.157) 15.441 5.154 ( 7.616 -3.183 -3.853) 9.109 5.198 ( 1.995 5.542 -5.012) 7.734 5.461 ( 7.316 -8.745 1.585) 11.511 5.630 ( 17.373 -15.834 8.560) 25.016 6.025 ( -1.819 5.938 -5.563) 8.338 6.130 ( 3.972 -2.388 -6.063) 7.631 6.356 ( -2.232 5.242 1.391) 5.865 6.478 ( 1.072 -5.240 0.602) 5.382 6.603 ( 2.458 12.708 1.750) 13.061 6.882 ( 5.133 0.875 1.018) 5.306 6.992 ( -2.901 -1.699 -1.525) 3.691 7.170 ( 3.970 1.450 6.671) 7.897 7.240 ( 8.247 -7.971 -4.152) 12.197 7.374 ( 1.499 -20.722 6.162) 21.670 8.207 ( 1.662 5.100 -3.949) 6.661 8.345 ( 5.863 -8.447 -4.906) 11.393 8.822 ( -2.503 1.496 5.632) 6.342 8.828 ( 1.799 3.916 8.141) 9.211 8.987 ( 4.597 2.128 0.591) 5.100 9.139 ( 6.237 -8.741 1.985) 10.920 9.169 ( 5.254 4.046 -4.040) 7.765 9.377 ( 9.564 -13.052 -12.198) 20.264 10.267 ( 9.050 -0.276 4.619) 10.164 10.308 ( 10.441 -4.643 4.801) 12.395 10.692 ( 2.220 5.686 2.648) 6.653 10.772 ( 4.436 -1.370 3.681) 5.925 11.047 ( 4.852 1.584 -0.140) 5.106 11.106 ( 6.589 -3.840 -1.005) 7.692 11.366 ( -1.425 5.288 3.567) 6.536 11.440 ( 1.417 -2.093 0.119) 2.530 11.738 ( 0.325 0.906 -0.466) 1.069 11.762 ( 0.677 -1.324 0.131) 1.493 12.219 ( 0.570 10.768 -4.456) 11.668 12.318 ( 0.569 2.278 -1.170) 2.623 12.348 ( 5.247 3.963 0.393) 6.587 12.421 ( 7.169 -2.847 -1.684) 7.895 12.997 ( -0.777 3.357 0.860) 3.551 13.066 ( 2.899 -5.486 -2.104) 6.552 13.523 ( -2.370 2.575 0.055) 3.500 13.567 ( -0.685 1.130 -2.832) 3.125 13.830 ( -11.274 12.270 -5.617) 17.584 14.081 ( -11.069 -9.904 -6.383) 16.167 14.162 ( 1.541 14.345 0.981) 14.461 14.333 ( -0.519 -3.403 0.215) 3.450 14.575 ( -9.761 6.135 3.142) 11.949 14.654 ( -6.304 2.525 8.703) 11.039 14.819 ( -7.808 -0.858 3.494) 8.597 14.946 ( -6.684 -12.731 -1.068) 14.418 14.998 ( -3.240 5.781 4.135) 7.811 15.159 ( -7.027 -7.310 2.968) 10.565 15.259 ( -8.733 -2.939 3.777) 9.959 15.306 ( -5.155 -10.148 -5.650) 12.708 15.558 ( 1.690 0.592 -5.999) 6.260 15.609 ( 0.157 -4.292 -0.304) 4.306 16.044 ( 1.503 1.110 -6.581) 6.841 16.067 ( 1.784 -1.406 -5.188) 5.663 16.451 ( -4.886 8.454 -6.670) 11.825 16.497 ( 1.706 10.928 8.962) 14.236 16.593 ( -4.427 -6.320 -9.569) 12.292 16.662 ( 2.956 -4.076 8.176) 9.602 16.835 ( 2.469 1.927 5.114) 5.997 16.935 ( 2.646 -6.948 7.640) 10.661 17.417 ( -4.232 4.216 6.935) 9.153 17.468 ( -4.600 -0.847 8.114) 9.365 17.646 ( -6.522 4.645 -4.891) 9.382 17.696 ( -3.975 -0.263 -7.060) 8.106 18.178 ( -4.573 1.626 -4.190) 6.412 18.258 ( -0.608 -5.806 -2.242) 6.253 18.523 ( 1.130 2.669 -2.294) 3.696 18.571 ( 4.055 -2.247 1.817) 4.979 24.889 ( -4.079 1.554 0.724) 4.425 24.927 ( -4.502 -2.156 1.259) 5.148 25.124 ( 0.114 4.894 -0.409) 4.912 25.223 ( 1.996 -5.285 -1.242) 5.785 26.259 ( -6.333 1.306 1.188) 6.574 26.282 ( -6.460 -1.043 1.893) 6.812 26.543 ( 2.863 1.462 -4.530) 5.555 26.574 ( 2.917 -1.719 -4.748) 5.832 26.949 ( -3.731 5.416 1.839) 6.829 27.020 ( -1.604 -1.162 2.229) 2.982 27.192 ( -2.812 -1.337 4.283) 5.295 27.218 ( -2.546 -3.252 -0.332) 4.143 28.120 ( -10.520 7.821 -0.597) 13.122 28.276 ( -9.960 -8.388 -2.182) 13.203 28.987 ( 12.310 11.583 -0.759) 16.920 29.182 ( 15.702 -8.966 0.735) 18.097 ======================= Grid point 230 (135/159) ======================= q-point: (-0.31 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -28.381 12.735 3.350) 31.287 3.191 ( -31.548 15.518 5.308) 35.556 3.270 ( -15.549 -7.032 0.810) 17.084 3.470 ( -22.796 -13.047 6.187) 26.984 4.220 ( 3.122 2.934 4.742) 6.391 4.263 ( -0.074 -3.729 6.586) 7.569 4.505 ( 9.145 14.622 -8.711) 19.321 4.704 ( -6.471 22.524 -3.523) 23.698 4.877 ( 9.169 -12.078 -3.702) 15.610 4.993 ( -8.110 12.766 10.527) 18.427 5.167 ( -7.561 -2.901 6.511) 10.391 5.232 ( 3.186 -3.146 -0.728) 4.536 5.510 ( -5.262 3.203 3.886) 7.283 5.862 ( 4.569 -6.981 0.652) 8.369 6.127 ( -0.144 -12.191 3.669) 12.732 6.171 ( 15.736 -6.405 1.227) 17.034 6.262 ( 3.357 6.850 -9.986) 12.566 6.403 ( 6.627 -6.612 -4.213) 10.266 6.822 ( 8.344 5.251 7.689) 12.502 6.963 ( 5.103 -6.034 -2.029) 8.159 7.035 ( 1.080 1.413 -4.156) 4.520 7.190 ( 6.940 -6.894 -4.512) 10.773 7.559 ( 18.904 1.175 17.165) 25.561 7.610 ( 8.846 -3.602 14.961) 17.749 8.262 ( 14.830 4.020 -3.350) 15.726 8.423 ( 12.997 -11.381 -4.380) 17.823 8.864 ( -0.181 0.753 5.596) 5.649 8.910 ( 2.760 -2.532 0.913) 3.856 9.114 ( 8.285 5.333 2.263) 10.109 9.191 ( 4.991 2.481 -6.211) 8.345 9.292 ( 10.140 -5.179 1.306) 11.461 9.423 ( 8.912 -10.003 -2.564) 13.640 10.371 ( -5.006 1.240 6.778) 8.517 10.435 ( -3.267 -5.422 6.260) 8.903 10.872 ( 14.545 8.677 0.555) 16.945 10.995 ( 17.769 -1.296 1.141) 17.853 11.119 ( 6.026 4.016 -1.230) 7.345 11.197 ( 7.491 -2.810 -3.025) 8.553 11.410 ( 1.193 3.340 4.040) 5.376 11.482 ( 2.004 -2.893 1.974) 4.035 11.738 ( 1.884 0.768 -1.047) 2.288 11.769 ( 0.721 -2.627 -0.185) 2.730 12.134 ( -3.424 11.396 -2.848) 12.235 12.281 ( -5.171 -1.316 2.290) 5.807 12.491 ( 7.094 1.364 1.180) 7.319 12.552 ( 8.259 -3.581 -0.496) 9.016 12.956 ( -6.524 11.931 -2.788) 13.881 13.082 ( 0.982 -4.334 -2.003) 4.875 13.479 ( -2.629 2.681 -0.564) 3.797 13.483 ( -1.148 5.902 -6.773) 9.057 13.641 ( -5.097 -1.907 1.163) 5.565 13.757 ( -14.386 -10.019 -10.736) 20.557 14.159 ( -0.844 13.794 -4.767) 14.619 14.263 ( -3.986 1.100 -4.882) 6.398 14.424 ( -12.728 7.702 2.162) 15.033 14.549 ( -15.014 2.221 -3.106) 15.492 14.638 ( -7.172 -7.660 -0.931) 10.535 14.761 ( -7.993 -17.770 -5.813) 20.333 15.030 ( -5.587 8.147 6.271) 11.701 15.100 ( -6.532 5.032 2.407) 8.589 15.228 ( -4.472 -9.056 8.049) 12.915 15.260 ( -5.700 -5.271 6.270) 9.980 15.489 ( -0.814 0.768 -3.673) 3.840 15.571 ( -2.603 -7.810 -3.137) 8.809 15.922 ( -4.424 2.726 -9.606) 10.921 15.955 ( -2.235 -1.660 -9.663) 10.056 16.320 ( -1.650 2.726 -5.511) 6.366 16.374 ( -3.099 -2.290 -9.136) 9.915 16.700 ( 0.871 5.738 2.571) 6.348 16.783 ( 2.790 2.048 6.434) 7.306 16.880 ( -2.519 4.292 -0.933) 5.063 17.062 ( 2.196 -9.430 8.760) 13.056 17.363 ( -2.680 4.476 -7.693) 9.295 17.432 ( -1.751 -2.652 -3.348) 4.616 17.525 ( -9.988 3.387 7.278) 12.814 17.589 ( -9.103 -2.390 4.774) 10.553 18.067 ( 0.373 8.100 -2.299) 8.428 18.213 ( 0.604 -6.767 -3.246) 7.530 18.557 ( -0.342 5.877 5.254) 7.891 18.688 ( 4.541 -6.714 5.388) 9.732 24.830 ( -4.406 1.094 0.689) 4.592 24.864 ( -5.325 -2.353 1.393) 5.986 25.116 ( -0.483 5.945 -0.663) 6.001 25.226 ( 0.408 -5.587 -1.310) 5.753 26.190 ( -6.133 2.031 3.373) 7.288 26.228 ( -5.584 -1.853 4.957) 7.693 26.498 ( -1.874 0.902 -3.743) 4.282 26.525 ( -1.447 -1.871 -4.303) 4.911 26.901 ( -3.832 6.743 -0.560) 7.776 27.012 ( -2.948 -4.744 0.723) 5.632 27.236 ( -0.318 0.785 8.999) 9.038 27.270 ( -0.126 -3.358 11.017) 11.518 27.913 ( -13.195 5.279 -3.227) 14.574 28.030 ( -15.714 -6.635 -4.518) 17.646 29.184 ( 17.337 15.229 -5.778) 23.788 29.430 ( 18.455 -10.796 -4.135) 21.777 ======================= Grid point 231 (136/159) ======================= q-point: (-0.23 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -30.383 19.213 8.440) 36.926 2.783 ( -30.865 19.157 11.200) 38.014 3.079 ( -17.055 -17.042 9.487) 25.910 3.203 ( -26.198 -20.140 12.682) 35.395 4.205 ( -11.055 14.566 6.599) 19.441 4.334 ( 1.036 -2.770 -1.583) 3.354 4.539 ( -10.376 28.616 7.294) 31.301 4.715 ( 21.913 20.900 1.759) 30.333 5.042 ( -7.237 12.572 19.628) 24.406 5.089 ( -9.418 -17.725 11.371) 23.069 5.151 ( 13.036 -11.941 -0.592) 17.688 5.291 ( 6.403 -13.075 4.123) 15.131 5.438 ( -9.170 6.774 4.850) 12.389 5.859 ( -11.506 -23.409 2.004) 26.161 5.953 ( 1.100 15.796 -7.389) 17.473 6.298 ( 0.031 -11.886 -12.502) 17.251 6.451 ( 19.044 2.149 1.418) 19.217 6.622 ( 19.581 -14.733 -5.142) 25.038 6.926 ( 9.825 3.939 0.394) 10.593 7.005 ( 2.581 -0.803 6.328) 6.881 7.163 ( 13.971 2.238 5.555) 15.200 7.337 ( 9.408 -12.222 3.459) 15.806 7.895 ( 10.079 11.575 6.739) 16.763 8.065 ( 16.940 -2.890 15.194) 22.938 8.513 ( 17.203 1.409 -2.302) 17.413 8.660 ( 21.880 -10.149 -3.998) 24.449 8.909 ( 1.995 2.099 -1.161) 3.120 8.985 ( 3.789 -6.035 3.021) 7.740 9.205 ( 8.270 7.334 -6.109) 12.629 9.317 ( 15.377 -3.149 1.412) 15.760 9.495 ( 11.769 -1.377 4.930) 12.834 9.562 ( 7.644 -6.113 4.530) 10.785 10.318 ( -10.678 3.565 5.280) 12.434 10.391 ( -10.938 -3.165 5.280) 12.551 10.977 ( 1.323 6.895 -3.103) 7.676 11.103 ( 1.111 -4.769 -5.380) 7.274 11.308 ( 14.887 8.031 -4.927) 17.618 11.321 ( 12.974 6.161 -0.156) 14.364 11.477 ( 4.623 -0.816 -1.480) 4.922 11.539 ( 1.723 -4.234 2.191) 5.069 11.761 ( -0.409 -1.015 0.175) 1.108 11.778 ( 0.916 -3.248 0.113) 3.377 12.058 ( -3.575 10.646 -1.548) 11.336 12.222 ( -6.952 -3.366 2.820) 8.223 12.484 ( -4.497 3.668 -6.398) 8.637 12.563 ( -3.980 -4.854 -5.309) 8.222 12.770 ( -6.121 7.635 -3.735) 10.474 12.949 ( -10.953 -7.755 -10.323) 16.932 13.420 ( 2.655 -0.627 -3.457) 4.404 13.457 ( -0.023 -2.941 -3.232) 4.370 13.579 ( -0.871 6.455 3.451) 7.371 13.685 ( 2.613 -2.972 4.721) 6.160 13.982 ( -7.430 6.773 -5.665) 11.540 14.071 ( -14.041 -3.724 -6.150) 15.775 14.264 ( -6.822 14.621 2.180) 16.281 14.389 ( -3.967 6.860 2.271) 8.243 14.517 ( -10.182 -9.742 0.360) 14.096 14.636 ( -1.236 -17.730 -2.005) 17.886 14.977 ( -6.425 7.885 0.670) 10.194 15.030 ( -5.053 2.238 -0.672) 5.567 15.144 ( -9.789 0.055 -0.690) 9.813 15.186 ( -9.973 -3.554 -0.623) 10.605 15.492 ( -1.612 -1.405 1.646) 2.699 15.521 ( 3.178 -3.076 -0.618) 4.466 15.699 ( -9.853 2.266 -8.638) 13.298 15.803 ( -3.956 -6.809 -8.279) 11.426 16.250 ( -0.300 -0.103 -3.964) 3.976 16.269 ( 1.429 -1.097 -6.882) 7.114 16.584 ( -6.811 2.776 -7.036) 10.178 16.623 ( -7.668 -2.110 -10.345) 13.049 17.023 ( 3.998 7.338 7.717) 11.375 17.109 ( -2.925 0.824 -2.304) 3.814 17.298 ( 0.344 2.422 2.699) 3.642 17.393 ( -3.228 -2.217 -2.542) 4.669 17.436 ( -5.404 -2.378 -0.871) 5.968 17.449 ( -12.136 -3.760 2.820) 13.015 18.183 ( 4.958 5.752 8.082) 11.090 18.272 ( 7.104 -0.664 7.291) 10.201 18.620 ( -0.420 9.025 6.184) 10.948 18.836 ( 6.803 -10.463 4.677) 13.328 24.774 ( -4.157 1.029 1.177) 4.441 24.805 ( -4.748 -2.208 2.016) 5.611 25.090 ( -1.621 6.221 -0.803) 6.479 25.204 ( -1.232 -5.627 -1.304) 5.906 26.140 ( -6.184 3.517 3.324) 7.852 26.216 ( -4.518 -4.408 3.877) 7.407 26.430 ( -2.614 1.349 0.774) 3.041 26.462 ( -1.876 -2.213 -0.683) 2.981 26.818 ( -5.309 6.459 -1.452) 8.486 26.944 ( -5.750 -7.025 -0.424) 9.089 27.378 ( -0.740 2.521 9.251) 9.617 27.425 ( 0.204 -2.649 10.854) 11.174 27.657 ( -14.193 1.899 -0.179) 14.321 27.732 ( -14.954 -5.006 0.770) 15.789 29.360 ( 18.736 17.904 -12.085) 28.595 29.632 ( 18.382 -11.297 -10.494) 23.993 ======================= Grid point 232 (137/159) ======================= q-point: (-0.15 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -22.792 25.373 17.274) 38.232 2.568 ( -20.264 18.228 21.873) 34.947 2.984 ( -23.239 -21.973 15.487) 35.535 3.025 ( -10.310 -24.001 17.947) 31.693 4.148 ( -9.151 19.076 11.860) 24.255 4.307 ( 1.641 -2.294 -5.464) 6.149 4.524 ( -9.792 21.448 13.524) 27.181 5.037 ( 1.758 -4.708 5.238) 7.259 5.121 ( -0.989 -1.112 11.046) 11.145 5.151 ( 2.791 8.062 -2.173) 8.803 5.226 ( -3.746 19.228 19.835) 27.878 5.364 ( -6.133 4.152 2.371) 7.777 5.569 ( 6.795 -20.286 7.268) 22.595 5.775 ( -1.509 -23.974 5.291) 24.597 5.974 ( 9.093 2.395 -3.514) 10.038 6.131 ( 5.053 -11.559 -1.125) 12.665 6.751 ( 15.754 5.962 -0.147) 16.845 6.819 ( 16.171 -1.677 0.321) 16.261 7.170 ( 9.201 0.096 7.665) 11.976 7.241 ( 9.851 -1.329 9.085) 13.466 7.445 ( 13.968 -3.100 4.238) 14.922 7.530 ( 8.755 -10.207 4.935) 14.324 8.081 ( 10.825 15.417 -2.670) 19.026 8.368 ( 8.273 -13.626 3.308) 16.280 8.740 ( 15.558 4.169 -3.818) 16.553 8.822 ( 8.858 -3.320 -8.051) 12.422 8.940 ( 3.976 6.883 1.306) 8.056 9.110 ( 5.352 -8.701 4.706) 11.248 9.247 ( 3.736 8.181 -7.282) 11.572 9.484 ( 6.503 -13.265 -6.947) 16.325 9.779 ( 10.061 2.852 9.128) 13.881 9.832 ( 15.480 -2.079 8.353) 17.712 10.188 ( -9.491 4.663 2.025) 10.767 10.247 ( -10.843 -1.234 1.641) 11.036 10.921 ( -3.244 5.349 -1.458) 6.424 10.986 ( -5.585 1.249 -6.208) 8.443 11.394 ( 7.068 8.208 -5.648) 12.216 11.475 ( 4.442 4.325 0.571) 6.226 11.509 ( 3.925 -0.633 -3.651) 5.398 11.566 ( 0.251 -4.519 -1.204) 4.684 11.707 ( -0.079 0.669 -6.366) 6.401 11.765 ( -1.250 -4.856 -3.305) 6.006 11.983 ( -2.942 6.313 -1.983) 7.242 12.112 ( -9.442 -6.058 0.409) 11.226 12.362 ( -1.578 2.107 -4.998) 5.648 12.380 ( -6.200 -2.363 -6.231) 9.102 12.593 ( -9.730 4.237 -5.289) 11.857 12.738 ( -3.968 -9.321 0.464) 10.141 13.290 ( -12.681 2.419 -8.923) 15.693 13.383 ( -5.123 -6.590 -5.896) 10.219 13.618 ( -0.885 9.941 4.850) 11.096 13.751 ( 3.637 -2.698 3.219) 5.556 13.920 ( -3.287 2.901 -1.302) 4.574 13.959 ( 2.458 0.997 0.159) 2.657 14.141 ( -9.520 9.237 1.550) 13.355 14.317 ( -8.277 -6.432 -2.566) 10.792 14.493 ( 6.597 5.456 4.895) 9.861 14.633 ( -1.044 -6.842 1.318) 7.046 14.871 ( -1.608 3.809 -1.987) 4.587 14.948 ( -3.686 1.386 0.006) 3.938 14.992 ( -6.629 -2.950 -2.939) 7.829 15.038 ( -8.442 -5.459 2.004) 10.251 15.358 ( -13.960 5.217 -10.017) 17.957 15.431 ( -8.719 -2.250 -12.258) 15.210 15.544 ( 0.074 -0.417 1.222) 1.294 15.685 ( -2.020 -11.434 -0.316) 11.615 16.189 ( 2.202 6.022 -4.759) 7.985 16.279 ( 6.373 -2.689 -2.125) 7.236 16.450 ( -2.470 1.124 -4.744) 5.465 16.486 ( 1.068 -1.595 -0.254) 1.936 17.015 ( -3.489 9.480 -2.721) 10.462 17.102 ( 0.145 0.401 1.168) 1.243 17.194 ( -11.655 0.079 -3.486) 12.166 17.216 ( -13.140 -2.448 -1.865) 13.495 17.366 ( 0.693 2.653 3.070) 4.116 17.493 ( 2.858 -8.081 2.309) 8.877 18.323 ( 1.747 9.321 8.021) 12.421 18.520 ( 3.537 -11.927 9.455) 15.625 18.737 ( 9.249 16.741 5.470) 19.893 19.002 ( 8.700 -10.908 1.881) 14.079 24.735 ( -3.384 1.372 2.061) 4.193 24.769 ( -3.613 -2.220 2.729) 5.043 25.049 ( -2.345 6.059 -0.768) 6.542 25.159 ( -2.284 -5.466 -1.381) 6.083 26.071 ( -5.933 3.854 1.067) 7.155 26.148 ( -4.847 -3.972 -1.880) 6.542 26.454 ( -0.506 -0.001 2.924) 2.967 26.469 ( 0.552 -1.662 4.587) 4.910 26.706 ( -6.414 4.610 -1.718) 8.083 26.828 ( -8.717 -8.978 0.365) 12.519 27.236 ( -13.404 3.538 -5.781) 15.020 27.298 ( -13.516 -3.180 -3.125) 14.233 27.742 ( 1.788 1.885 19.870) 20.039 27.806 ( 1.991 -4.302 20.491) 21.032 29.448 ( 16.013 18.860 -18.425) 30.848 29.719 ( 13.951 -10.639 -17.050) 24.465 ======================= Grid point 233 (138/159) ======================= q-point: (-0.08 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -12.703 18.960 25.135) 33.950 2.699 ( -5.440 7.844 27.625) 29.227 2.906 ( -13.700 -11.743 22.073) 28.510 3.191 ( -2.088 -23.227 23.356) 33.006 4.129 ( 0.726 3.570 -11.920) 12.465 4.239 ( 4.223 -5.547 -14.892) 16.444 4.561 ( -12.451 27.326 24.956) 39.045 4.951 ( 0.160 -6.309 -14.284) 15.616 5.090 ( -3.644 4.918 -7.119) 9.388 5.224 ( -0.557 7.842 15.073) 17.000 5.348 ( -8.419 3.967 14.266) 17.034 5.514 ( 1.086 11.211 25.935) 28.276 5.675 ( 1.091 -16.038 3.889) 16.539 5.904 ( 2.722 -20.393 16.245) 26.214 6.180 ( 10.710 9.705 11.767) 18.637 6.462 ( 17.751 -16.425 6.841) 25.133 6.971 ( 12.906 14.879 0.468) 19.702 7.109 ( 15.291 1.665 6.089) 16.543 7.335 ( 3.592 -4.798 3.949) 7.178 7.391 ( -1.272 -5.934 2.202) 6.456 7.636 ( 6.958 0.371 1.529) 7.133 7.740 ( 7.436 -8.517 5.830) 12.721 8.182 ( 10.489 14.844 -6.134) 19.183 8.461 ( 4.597 -14.022 -2.618) 14.987 8.815 ( 0.384 5.570 -6.914) 8.886 8.869 ( 8.015 -0.794 -3.560) 8.807 9.043 ( 1.099 11.371 -1.050) 11.472 9.080 ( -4.542 9.200 -4.971) 11.401 9.217 ( -2.224 -8.798 1.383) 9.180 9.352 ( -4.951 -16.625 -10.614) 20.336 9.858 ( -4.517 2.396 2.050) 5.508 9.946 ( -10.276 -4.905 2.321) 11.621 10.225 ( 9.688 4.592 1.254) 10.795 10.273 ( 9.688 -0.021 -0.197) 9.690 10.862 ( -2.518 7.110 0.711) 7.576 10.906 ( 2.687 1.703 0.577) 3.233 11.372 ( -5.540 7.822 -3.672) 10.265 11.491 ( -7.968 -2.572 3.704) 9.156 11.512 ( -0.441 -2.498 -6.832) 7.288 11.520 ( 6.358 -3.864 -4.295) 8.591 11.671 ( 1.659 -1.102 -5.788) 6.121 11.697 ( 7.109 -2.956 -4.808) 9.077 11.948 ( 1.634 2.955 -1.856) 3.853 11.981 ( -8.084 -1.619 -0.378) 8.253 12.220 ( -3.970 3.272 -5.892) 7.821 12.280 ( -1.046 -2.208 -3.179) 4.010 12.511 ( -4.183 4.522 2.734) 6.740 12.657 ( -10.429 -8.844 0.984) 13.710 13.022 ( -4.505 7.448 -5.916) 10.524 13.219 ( -3.928 -11.483 -6.819) 13.921 13.650 ( -2.376 8.709 3.494) 9.679 13.723 ( -7.964 7.025 -5.751) 12.077 13.861 ( 3.083 -1.706 0.920) 3.642 13.948 ( 3.177 -5.666 -5.662) 8.617 14.125 ( 2.432 7.860 -0.138) 8.228 14.266 ( 5.374 -4.179 -2.185) 7.150 14.534 ( -6.207 8.891 2.616) 11.154 14.697 ( 0.894 -5.295 1.713) 5.636 14.800 ( -8.421 0.961 -3.584) 9.202 14.849 ( -7.373 -3.267 -7.540) 11.040 14.937 ( -4.732 -0.360 2.354) 5.297 15.010 ( 2.758 -7.597 2.218) 8.381 15.072 ( -4.166 5.317 1.810) 6.993 15.195 ( -3.549 -6.459 -2.120) 7.669 15.547 ( -0.759 2.115 -0.166) 2.253 15.656 ( -2.123 -8.428 -1.006) 8.749 16.236 ( 6.326 8.158 -1.012) 10.373 16.338 ( 2.069 -2.937 -3.175) 4.795 16.457 ( 6.334 5.804 2.524) 8.954 16.550 ( 5.127 -2.612 0.926) 5.828 16.887 ( -10.602 7.949 -2.550) 13.494 16.962 ( -12.642 -0.947 -3.127) 13.057 17.089 ( 2.462 1.008 -0.152) 2.664 17.142 ( 2.565 -3.325 2.678) 4.981 17.384 ( -1.958 4.215 0.385) 4.664 17.529 ( -0.579 -8.635 -0.082) 8.655 18.436 ( 0.610 9.123 7.833) 12.039 18.590 ( -3.679 -5.917 6.117) 9.271 18.965 ( 10.917 6.217 1.131) 12.614 19.117 ( 5.646 -7.693 -2.179) 9.788 24.722 ( -1.927 1.777 2.684) 3.752 24.760 ( -1.972 -2.109 2.855) 4.061 25.008 ( -1.759 5.273 -0.411) 5.573 25.107 ( -1.884 -4.997 -1.680) 5.598 25.997 ( -4.109 3.047 0.014) 5.115 26.054 ( -3.088 -2.811 -2.745) 4.997 26.445 ( -3.745 2.398 -0.352) 4.461 26.494 ( -3.195 -2.728 -0.242) 4.208 26.615 ( -1.095 3.960 0.302) 4.120 26.748 ( -4.184 -9.973 4.336) 11.652 27.004 ( -7.740 4.528 -3.067) 9.477 27.108 ( -7.839 -5.931 -1.008) 9.882 28.035 ( 2.177 4.622 22.335) 22.912 28.134 ( 4.468 -5.455 23.391) 24.430 29.398 ( 9.275 17.328 -22.157) 29.618 29.643 ( 6.374 -9.341 -21.388) 24.193 ======================= Grid point 260 (139/159) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( -2.933 0.000 -1.811) 3.447 3.506 ( 2.933 0.000 1.811) 3.447 3.611 ( -4.832 0.000 -10.400) 11.468 3.611 ( 4.832 0.000 10.400) 11.468 4.034 ( 2.930 0.000 -16.292) 16.553 4.034 ( -2.930 0.000 16.292) 16.553 4.414 ( -8.786 0.000 -4.630) 9.931 4.414 ( 8.786 0.000 4.630) 9.931 5.221 ( 8.496 0.000 -25.551) 26.927 5.221 ( -8.496 0.000 25.551) 26.927 5.479 ( -3.992 0.000 -16.979) 17.442 5.479 ( 3.992 0.000 16.979) 17.442 5.906 ( 2.978 0.000 -20.211) 20.429 5.906 ( -2.978 0.000 20.211) 20.429 6.829 ( 3.966 0.000 -7.300) 8.308 6.829 ( -3.966 0.000 7.300) 8.308 7.217 ( -7.207 0.000 -0.620) 7.233 7.217 ( 7.207 0.000 0.620) 7.233 7.393 ( 11.503 0.000 -9.088) 14.660 7.393 ( -11.503 0.000 9.088) 14.660 7.835 ( 9.928 0.000 -4.537) 10.916 7.835 ( -9.928 0.000 4.537) 10.916 8.212 ( -3.511 0.000 -9.527) 10.153 8.212 ( 3.511 0.000 9.527) 10.153 8.720 ( -11.036 0.000 0.048) 11.036 8.720 ( 11.036 0.000 -0.048) 11.036 8.931 ( -1.533 0.000 -1.537) 2.171 8.931 ( 1.533 0.000 1.537) 2.171 9.270 ( -10.397 0.000 -3.135) 10.859 9.270 ( 10.397 0.000 3.135) 10.859 10.049 ( 6.616 0.000 -9.039) 11.201 10.049 ( -6.616 0.000 9.039) 11.201 10.326 ( 4.315 0.000 -2.170) 4.830 10.326 ( -4.315 0.000 2.170) 4.830 10.791 ( -16.631 0.000 -6.026) 17.689 10.791 ( 16.631 0.000 6.026) 17.689 11.166 ( 0.071 0.000 -2.731) 2.732 11.166 ( -0.071 0.000 2.731) 2.732 11.576 ( 2.457 0.000 -1.689) 2.981 11.576 ( -2.457 0.000 1.689) 2.981 11.690 ( -15.880 0.000 -1.944) 15.999 11.690 ( 15.880 0.000 1.944) 15.999 12.006 ( 7.958 0.000 -8.397) 11.569 12.006 ( -7.958 0.000 8.397) 11.569 12.098 ( -11.767 0.000 -7.631) 14.025 12.098 ( 11.767 0.000 7.631) 14.025 12.522 ( -4.710 0.000 -3.114) 5.646 12.522 ( 4.710 0.000 3.114) 5.646 13.001 ( 2.491 0.000 -5.709) 6.229 13.001 ( -2.491 0.000 5.709) 6.229 13.700 ( -3.862 0.000 -0.626) 3.913 13.700 ( 3.862 0.000 0.626) 3.913 13.830 ( -3.491 0.000 -1.137) 3.672 13.830 ( 3.491 0.000 1.137) 3.672 14.142 ( -10.274 0.000 -4.427) 11.187 14.142 ( 10.274 0.000 4.427) 11.187 14.374 ( -5.356 0.000 -12.068) 13.203 14.374 ( 5.356 0.000 12.068) 13.203 14.810 ( -1.080 0.000 -0.321) 1.126 14.810 ( 1.080 0.000 0.321) 1.126 15.009 ( -11.526 0.000 2.673) 11.832 15.009 ( 11.526 0.000 -2.673) 11.832 15.530 ( -3.431 0.000 -0.773) 3.517 15.530 ( 3.431 0.000 0.773) 3.517 15.800 ( 3.144 0.000 -15.843) 16.152 15.800 ( -3.144 0.000 15.843) 16.152 15.977 ( -4.096 0.000 -3.360) 5.298 15.977 ( 4.096 0.000 3.360) 5.298 16.349 ( -3.800 0.000 -2.240) 4.411 16.349 ( 3.800 0.000 2.240) 4.411 16.635 ( -7.887 0.000 -4.976) 9.326 16.635 ( 7.887 0.000 4.976) 9.326 17.286 ( -4.337 0.000 -2.382) 4.948 17.286 ( 4.337 0.000 2.382) 4.948 17.586 ( -5.811 0.000 -2.921) 6.504 17.586 ( 5.811 0.000 2.921) 6.504 18.520 ( -7.038 0.000 -4.702) 8.464 18.520 ( 7.038 0.000 4.702) 8.464 19.131 ( -4.584 0.000 0.607) 4.624 19.131 ( 4.584 0.000 -0.607) 4.624 24.733 ( -0.456 0.000 -1.566) 1.631 24.733 ( 0.456 0.000 1.566) 1.631 25.068 ( -0.412 0.000 -5.389) 5.404 25.068 ( 0.412 0.000 5.389) 5.404 25.966 ( 1.800 0.000 -3.471) 3.910 25.966 ( -1.800 0.000 3.471) 3.910 26.419 ( -0.978 0.000 -5.210) 5.301 26.419 ( 0.978 0.000 5.210) 5.301 26.560 ( 5.032 0.000 -2.335) 5.547 26.560 ( -5.032 0.000 2.335) 5.547 27.259 ( -1.396 0.000 -4.669) 4.873 27.259 ( 1.396 0.000 4.669) 4.873 28.456 ( 7.911 0.000 -13.644) 15.772 28.456 ( -7.911 0.000 13.644) 15.772 29.108 ( -4.019 0.000 -22.910) 23.260 29.108 ( 4.019 0.000 22.910) 23.260 ======================= Grid point 262 (140/159) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 9.201 0.000 -44.878) 45.811 3.123 ( -3.168 0.000 -41.914) 42.034 3.689 ( -4.674 0.000 10.910) 11.869 3.952 ( 7.867 0.000 -9.745) 12.524 4.054 ( -1.484 0.000 12.579) 12.666 4.061 ( -0.123 0.000 10.642) 10.643 4.451 ( 11.104 0.000 12.976) 17.079 4.572 ( 0.832 0.000 8.284) 8.325 4.994 ( 5.613 0.000 -32.994) 33.468 5.265 ( 7.481 0.000 -17.252) 18.805 5.295 ( -11.799 0.000 4.668) 12.688 5.651 ( 1.037 0.000 4.784) 4.895 5.658 ( -3.204 0.000 -16.732) 17.036 6.064 ( -1.414 0.000 11.596) 11.681 6.739 ( 1.005 0.000 -11.328) 11.372 6.800 ( -8.628 0.000 3.496) 9.309 7.077 ( -20.980 0.000 2.039) 21.079 7.083 ( -14.788 0.000 2.217) 14.953 7.340 ( -3.246 0.000 -8.023) 8.654 7.390 ( -6.026 0.000 4.290) 7.397 7.730 ( -8.540 0.000 2.759) 8.975 7.886 ( 7.238 0.000 -6.533) 9.750 8.125 ( -0.738 0.000 2.387) 2.498 8.317 ( -3.964 0.000 4.985) 6.369 8.566 ( -10.366 0.000 3.837) 11.054 8.832 ( -6.753 0.000 0.313) 6.760 8.870 ( -1.841 0.000 -2.907) 3.441 8.907 ( 6.613 0.000 0.902) 6.674 9.327 ( 11.903 0.000 6.874) 13.745 9.496 ( 5.435 0.000 7.205) 9.025 9.981 ( -15.258 0.000 8.415) 17.425 9.989 ( -0.625 0.000 -4.884) 4.924 10.218 ( -12.468 0.000 -3.613) 12.981 10.364 ( 5.128 0.000 -5.308) 7.380 10.613 ( 6.225 0.000 -8.135) 10.244 11.018 ( -0.640 0.000 -3.960) 4.012 11.142 ( 0.729 0.000 0.551) 0.914 11.230 ( 3.615 0.000 12.979) 13.473 11.479 ( -10.230 0.000 1.795) 10.386 11.494 ( -9.940 0.000 4.902) 11.083 11.599 ( 3.194 0.000 1.204) 3.413 11.857 ( -7.465 0.000 5.028) 9.000 11.959 ( 3.646 0.000 -10.810) 11.408 11.980 ( 1.066 0.000 8.233) 8.302 12.061 ( 10.277 0.000 -1.193) 10.346 12.305 ( 1.698 0.000 -7.013) 7.216 12.607 ( 19.440 0.000 9.666) 21.710 12.646 ( 7.201 0.000 -0.139) 7.202 13.059 ( 8.354 0.000 2.752) 8.795 13.065 ( 1.969 0.000 6.153) 6.460 13.631 ( -0.877 0.000 -3.794) 3.894 13.724 ( -0.823 0.000 -0.781) 1.135 13.866 ( 2.921 0.000 2.660) 3.951 13.960 ( 5.954 0.000 3.326) 6.820 13.986 ( -0.093 0.000 -0.925) 0.929 14.097 ( -5.806 0.000 -9.161) 10.846 14.348 ( 2.393 0.000 -0.280) 2.410 14.571 ( -3.089 0.000 11.071) 11.494 14.790 ( 5.681 0.000 -4.814) 7.446 14.839 ( 3.732 0.000 -0.517) 3.768 14.964 ( 3.917 0.000 5.415) 6.683 15.156 ( 12.786 0.000 -8.021) 15.094 15.423 ( -7.574 0.000 -2.089) 7.857 15.537 ( 0.522 0.000 -3.745) 3.781 15.691 ( 2.080 0.000 -5.228) 5.627 15.763 ( -10.891 0.000 -0.264) 10.894 16.033 ( 0.925 0.000 14.487) 14.516 16.047 ( -1.115 0.000 4.209) 4.354 16.301 ( -0.456 0.000 -1.310) 1.387 16.438 ( 1.167 0.000 -1.792) 2.139 16.516 ( -0.798 0.000 2.390) 2.520 16.838 ( 8.382 0.000 6.859) 10.830 17.184 ( -2.371 0.000 -4.121) 4.755 17.319 ( 1.639 0.000 -5.119) 5.375 17.526 ( 2.502 0.000 -0.474) 2.546 17.693 ( 4.574 0.000 -0.020) 4.574 18.336 ( -7.454 0.000 -6.455) 9.860 18.642 ( 4.770 0.000 -1.080) 4.890 19.044 ( -8.673 0.000 2.297) 8.972 19.167 ( -0.078 0.000 0.437) 0.444 24.723 ( 1.695 0.000 -1.763) 2.446 24.774 ( 2.368 0.000 1.258) 2.681 25.010 ( 1.790 0.000 -5.963) 6.226 25.148 ( 1.995 0.000 4.341) 4.777 25.986 ( 5.965 0.000 -3.403) 6.868 26.017 ( 2.600 0.000 3.774) 4.583 26.404 ( 4.109 0.000 -1.551) 4.392 26.476 ( -4.308 0.000 4.705) 6.379 26.625 ( 8.999 0.000 7.055) 11.435 26.627 ( 6.250 0.000 -2.052) 6.578 27.198 ( 0.631 0.000 -4.305) 4.351 27.352 ( 3.484 0.000 4.504) 5.694 28.366 ( 2.980 0.000 -15.098) 15.390 28.457 ( -10.719 0.000 11.055) 15.399 28.736 ( -6.998 0.000 -23.810) 24.816 29.399 ( -1.215 0.000 21.095) 21.130 ======================= Grid point 263 (141/159) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 6.798 0.000 -38.990) 39.579 2.791 ( 20.346 0.000 -40.804) 45.595 3.753 ( 4.536 0.000 1.154) 4.681 3.943 ( 4.119 0.000 -12.339) 13.009 4.019 ( 14.729 0.000 -9.172) 17.351 4.204 ( -10.191 0.000 0.269) 10.195 4.632 ( 12.668 0.000 -34.712) 36.951 4.669 ( -2.808 0.000 10.644) 11.009 4.877 ( 11.703 0.000 13.663) 17.990 4.968 ( -23.669 0.000 -5.809) 24.371 5.254 ( 16.076 0.000 -18.804) 24.740 5.576 ( 1.776 0.000 11.644) 11.778 5.686 ( 0.833 0.000 -1.474) 1.693 6.072 ( -3.485 0.000 -4.240) 5.489 6.590 ( -17.445 0.000 -13.310) 21.943 6.594 ( -15.005 0.000 -5.248) 15.896 6.669 ( -7.054 0.000 -16.459) 17.907 6.868 ( -14.851 0.000 9.902) 17.849 7.217 ( -16.643 0.000 0.113) 16.643 7.265 ( -6.951 0.000 6.367) 9.427 7.609 ( -8.279 0.000 -2.767) 8.729 7.949 ( 5.426 0.000 -3.806) 6.628 8.122 ( -8.232 0.000 3.375) 8.897 8.199 ( -14.351 0.000 -0.394) 14.357 8.516 ( -7.760 0.000 11.342) 13.743 8.714 ( -8.824 0.000 3.270) 9.410 8.823 ( -1.901 0.000 0.469) 1.958 9.044 ( 4.905 0.000 1.587) 5.156 9.549 ( 0.716 0.000 4.141) 4.202 9.593 ( -6.223 0.000 12.109) 13.615 9.787 ( -18.413 0.000 2.741) 18.616 9.898 ( -16.238 0.000 -5.279) 17.075 10.003 ( 8.757 0.000 -5.145) 10.156 10.370 ( 9.212 0.000 -6.221) 11.116 10.649 ( 10.668 0.000 -10.083) 14.679 10.949 ( 2.396 0.000 -4.015) 4.675 11.170 ( -2.722 0.000 2.133) 3.458 11.305 ( -18.290 0.000 6.618) 19.451 11.392 ( -3.627 0.000 3.205) 4.840 11.405 ( -3.344 0.000 8.224) 8.878 11.787 ( 6.050 0.000 5.143) 7.940 11.868 ( -3.025 0.000 1.346) 3.311 11.914 ( 6.931 0.000 -7.117) 9.935 11.975 ( -3.715 0.000 12.016) 12.577 12.296 ( 12.126 0.000 -0.447) 12.134 12.338 ( 15.188 0.000 5.264) 16.074 12.702 ( 3.126 0.000 -3.805) 4.925 13.039 ( 14.199 0.000 5.343) 15.171 13.229 ( 8.301 0.000 6.105) 10.304 13.280 ( 13.560 0.000 6.895) 15.212 13.574 ( -1.169 0.000 -4.114) 4.277 13.669 ( -1.754 0.000 -2.906) 3.394 13.916 ( -0.313 0.000 3.435) 3.449 13.927 ( -7.994 0.000 -7.115) 10.702 13.974 ( -0.727 0.000 -1.512) 1.678 14.134 ( 13.789 0.000 2.018) 13.935 14.421 ( 9.928 0.000 5.762) 11.479 14.487 ( -11.330 0.000 -0.443) 11.339 14.889 ( 4.093 0.000 0.146) 4.096 14.913 ( 10.453 0.000 -0.812) 10.484 15.142 ( 3.311 0.000 -12.846) 13.266 15.232 ( 2.939 0.000 1.206) 3.176 15.319 ( 6.607 0.000 9.354) 11.452 15.536 ( 1.893 0.000 1.853) 2.649 15.610 ( -5.779 0.000 -2.188) 6.179 15.732 ( 3.128 0.000 2.851) 4.233 16.088 ( 1.045 0.000 4.635) 4.751 16.236 ( 1.780 0.000 14.901) 15.006 16.283 ( -1.344 0.000 0.480) 1.427 16.385 ( -0.659 0.000 -2.405) 2.493 16.591 ( 1.965 0.000 3.012) 3.597 17.004 ( 0.182 0.000 4.960) 4.964 17.173 ( 8.434 0.000 -1.406) 8.551 17.304 ( 5.504 0.000 -3.910) 6.751 17.598 ( 6.994 0.000 -1.775) 7.216 17.723 ( 1.516 0.000 -2.160) 2.638 18.150 ( -5.673 0.000 -7.174) 9.146 18.579 ( -5.246 0.000 -10.678) 11.897 18.959 ( -3.887 0.000 1.531) 4.178 19.131 ( -4.661 0.000 -0.442) 4.682 24.739 ( 2.938 0.000 -1.683) 3.385 24.830 ( 3.012 0.000 0.902) 3.144 24.981 ( 3.559 0.000 -5.532) 6.578 25.226 ( 1.821 0.000 3.421) 3.876 26.058 ( 8.508 0.000 -3.719) 9.286 26.132 ( 5.823 0.000 4.076) 7.108 26.465 ( -3.303 0.000 4.199) 5.342 26.478 ( 5.558 0.000 -0.241) 5.563 26.678 ( 3.830 0.000 -3.408) 5.127 26.922 ( 13.823 0.000 10.327) 17.255 27.175 ( 2.743 0.000 -3.852) 4.729 27.477 ( 6.583 0.000 3.515) 7.463 28.181 ( -3.827 0.000 -15.091) 15.569 28.350 ( -4.624 0.000 -22.740) 23.205 28.426 ( -8.760 0.000 10.252) 13.484 29.572 ( -7.370 0.000 18.216) 19.651 ======================= Grid point 264 (142/159) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 29.073 0.000 -21.272) 36.024 2.738 ( 29.211 0.000 -31.434) 42.911 3.721 ( -23.543 0.000 -6.486) 24.420 3.860 ( 8.788 0.000 -0.674) 8.813 4.024 ( 13.298 0.000 -15.724) 20.593 4.131 ( 17.392 0.000 -17.888) 24.950 4.522 ( 17.769 0.000 -23.872) 29.759 4.550 ( -21.862 0.000 3.950) 22.216 4.765 ( 0.208 0.000 3.504) 3.510 5.125 ( 15.117 0.000 -16.859) 22.643 5.299 ( 10.883 0.000 0.120) 10.884 5.635 ( -4.421 0.000 -4.331) 6.189 5.878 ( -16.804 0.000 -3.267) 17.119 5.905 ( 4.895 0.000 21.365) 21.919 6.025 ( -16.762 0.000 -11.653) 20.414 6.285 ( -17.282 0.000 -1.914) 17.388 6.534 ( 7.894 0.000 -18.264) 19.897 6.806 ( -6.839 0.000 6.297) 9.297 6.969 ( -16.312 0.000 2.594) 16.517 7.201 ( -9.473 0.000 1.806) 9.644 7.435 ( -8.173 0.000 -1.605) 8.329 7.808 ( -18.905 0.000 -6.246) 19.910 7.897 ( -20.390 0.000 -3.125) 20.628 7.992 ( 2.059 0.000 -11.042) 11.233 8.585 ( -8.793 0.000 19.243) 21.157 8.612 ( -10.417 0.000 2.601) 10.737 8.802 ( -3.995 0.000 3.396) 5.243 9.018 ( -7.450 0.000 -3.831) 8.377 9.409 ( -13.894 0.000 -5.920) 15.103 9.530 ( -14.122 0.000 0.783) 14.144 9.560 ( -9.512 0.000 1.456) 9.623 9.685 ( -6.256 0.000 1.158) 6.362 10.156 ( 14.271 0.000 -1.644) 14.365 10.532 ( 17.375 0.000 -5.801) 18.318 10.723 ( 4.081 0.000 3.255) 5.221 10.951 ( -1.153 0.000 -0.436) 1.232 11.017 ( -22.239 0.000 2.153) 22.343 11.124 ( -7.026 0.000 5.293) 8.797 11.392 ( -0.337 0.000 0.205) 0.394 11.472 ( 0.577 0.000 4.985) 5.018 11.798 ( -3.031 0.000 -1.667) 3.459 11.803 ( -4.488 0.000 3.879) 5.932 11.999 ( 6.209 0.000 0.105) 6.210 12.144 ( 6.696 0.000 5.187) 8.471 12.544 ( 0.473 0.000 -0.018) 0.474 12.700 ( 5.684 0.000 -2.767) 6.322 12.702 ( 21.008 0.000 17.277) 27.200 13.024 ( -3.557 0.000 -15.897) 16.291 13.383 ( 2.266 0.000 1.461) 2.697 13.459 ( 3.486 0.000 0.591) 3.536 13.631 ( -1.732 0.000 0.929) 1.965 13.652 ( 7.031 0.000 -3.065) 7.670 13.696 ( -6.086 0.000 1.323) 6.228 13.927 ( -1.319 0.000 0.531) 1.422 14.113 ( 17.522 0.000 6.153) 18.571 14.328 ( -5.054 0.000 3.814) 6.332 14.381 ( 12.649 0.000 -4.005) 13.268 14.724 ( 8.361 0.000 13.237) 15.657 14.972 ( 3.590 0.000 3.068) 4.723 15.042 ( 5.227 0.000 3.694) 6.400 15.091 ( 7.958 0.000 -4.193) 8.995 15.169 ( 5.430 0.000 -5.622) 7.816 15.501 ( -2.133 0.000 -0.589) 2.213 15.615 ( 0.315 0.000 7.021) 7.028 15.754 ( 13.367 0.000 16.399) 21.156 15.796 ( 0.790 0.000 1.752) 1.922 16.214 ( 6.514 0.000 5.804) 8.725 16.266 ( -1.397 0.000 1.070) 1.759 16.348 ( 2.781 0.000 -8.360) 8.811 16.455 ( 1.539 0.000 16.738) 16.808 16.668 ( 2.842 0.000 6.239) 6.856 16.970 ( -4.975 0.000 -2.687) 5.654 17.361 ( 11.251 0.000 2.915) 11.622 17.395 ( 5.848 0.000 3.095) 6.617 17.680 ( 9.018 0.000 -5.473) 10.549 17.705 ( 0.045 0.000 -3.286) 3.287 17.990 ( -2.623 0.000 -8.718) 9.104 18.286 ( -8.560 0.000 -14.373) 16.729 18.936 ( 1.794 0.000 -4.617) 4.954 19.015 ( -7.739 0.000 -2.457) 8.120 24.771 ( 3.225 0.000 -0.984) 3.372 24.882 ( 2.486 0.000 0.485) 2.533 24.988 ( 5.091 0.000 -4.199) 6.599 25.281 ( 0.182 0.000 2.925) 2.931 26.146 ( 8.751 0.000 -4.309) 9.755 26.281 ( 6.432 0.000 4.163) 7.661 26.477 ( -1.943 0.000 4.253) 4.676 26.518 ( 1.459 0.000 -4.309) 4.549 26.677 ( 4.462 0.000 -4.484) 6.325 27.188 ( 4.508 0.000 -3.556) 5.742 27.234 ( 9.635 0.000 7.517) 12.221 27.629 ( 8.066 0.000 -1.488) 8.202 27.923 ( -3.357 0.000 -9.479) 10.056 28.084 ( 0.864 0.000 -17.095) 17.116 28.451 ( -6.379 0.000 12.486) 14.022 29.610 ( -12.810 0.000 13.887) 18.893 ======================= Grid point 265 (143/159) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 37.016 0.000 -5.325) 37.397 2.914 ( 32.641 0.000 -19.705) 38.128 3.325 ( -17.371 0.000 -0.237) 17.372 4.003 ( 8.592 0.000 1.076) 8.659 4.065 ( 5.079 0.000 -16.408) 17.176 4.109 ( 12.335 0.000 -7.582) 14.479 4.340 ( -18.326 0.000 5.518) 19.139 4.574 ( 17.916 0.000 -14.198) 22.860 4.814 ( 11.533 0.000 -8.037) 14.058 5.001 ( 4.981 0.000 -22.002) 22.558 5.374 ( -16.391 0.000 -3.152) 16.692 5.535 ( 10.783 0.000 0.908) 10.821 5.704 ( -5.179 0.000 2.630) 5.809 5.789 ( -15.408 0.000 -7.830) 17.284 5.822 ( -3.827 0.000 -2.493) 4.567 6.310 ( -7.384 0.000 18.990) 20.375 6.493 ( 10.787 0.000 -10.741) 15.223 6.670 ( -11.899 0.000 -5.097) 12.944 6.829 ( -7.964 0.000 2.285) 8.285 6.996 ( -11.002 0.000 -9.092) 14.272 7.338 ( -20.758 0.000 -16.153) 26.302 7.404 ( -1.421 0.000 7.439) 7.574 7.563 ( -17.439 0.000 0.771) 17.456 7.896 ( 0.970 0.000 -8.729) 8.783 8.425 ( -10.900 0.000 -4.594) 11.829 8.648 ( -8.606 0.000 11.873) 14.664 8.825 ( -5.090 0.000 13.020) 13.980 8.834 ( -9.793 0.000 1.103) 9.855 9.121 ( -10.410 0.000 -7.023) 12.557 9.339 ( -9.779 0.000 -0.838) 9.814 9.502 ( 1.004 0.000 -3.762) 3.894 9.554 ( -8.796 0.000 -3.771) 9.571 10.362 ( 13.459 0.000 -0.759) 13.481 10.641 ( -12.861 0.000 -2.083) 13.029 10.721 ( 5.571 0.000 -7.042) 8.979 10.758 ( -11.283 0.000 7.943) 13.799 10.942 ( -7.953 0.000 9.565) 12.439 11.109 ( -5.075 0.000 7.991) 9.466 11.373 ( -2.706 0.000 -0.167) 2.711 11.518 ( 2.370 0.000 -2.724) 3.610 11.722 ( -4.835 0.000 -0.191) 4.839 11.876 ( 3.968 0.000 5.614) 6.874 12.018 ( 1.669 0.000 -6.906) 7.105 12.261 ( 4.013 0.000 -0.375) 4.030 12.436 ( -4.740 0.000 -4.009) 6.208 12.675 ( -3.260 0.000 -7.645) 8.311 12.744 ( -3.339 0.000 -16.019) 16.364 13.163 ( 8.176 0.000 7.976) 11.422 13.356 ( -1.098 0.000 -2.089) 2.360 13.433 ( -6.479 0.000 1.294) 6.607 13.604 ( 6.388 0.000 6.896) 9.400 13.780 ( 2.051 0.000 9.828) 10.040 13.830 ( 15.587 0.000 -1.764) 15.686 13.921 ( 2.233 0.000 0.205) 2.243 14.362 ( 0.091 0.000 8.013) 8.014 14.465 ( 4.436 0.000 -2.120) 4.916 14.512 ( 15.847 0.000 6.926) 17.294 14.878 ( -1.198 0.000 8.858) 8.938 15.072 ( 3.026 0.000 5.079) 5.912 15.208 ( 10.656 0.000 -1.494) 10.761 15.313 ( 12.734 0.000 14.644) 19.406 15.348 ( 17.317 0.000 1.228) 17.361 15.479 ( 1.510 0.000 -2.145) 2.623 15.699 ( 1.110 0.000 4.165) 4.310 15.813 ( -0.736 0.000 2.922) 3.013 16.100 ( 5.945 0.000 14.690) 15.848 16.236 ( 2.843 0.000 -15.491) 15.749 16.273 ( -1.045 0.000 3.529) 3.680 16.390 ( 4.904 0.000 5.618) 7.457 16.694 ( -0.286 0.000 20.093) 20.095 16.787 ( -8.310 0.000 -9.184) 12.385 16.859 ( 6.325 0.000 12.789) 14.267 17.493 ( -0.357 0.000 1.499) 1.541 17.527 ( 3.441 0.000 -6.263) 7.146 17.584 ( -0.412 0.000 -6.090) 6.104 17.745 ( 10.089 0.000 -8.329) 13.083 17.883 ( 2.798 0.000 -5.810) 6.449 18.138 ( 3.108 0.000 -0.621) 3.170 18.848 ( -8.255 0.000 -4.123) 9.228 18.876 ( 1.890 0.000 -10.497) 10.666 24.814 ( 2.895 0.000 0.210) 2.903 24.916 ( 1.480 0.000 0.003) 1.480 25.037 ( 6.572 0.000 -2.728) 7.116 25.302 ( -1.881 0.000 2.861) 3.424 26.217 ( 7.465 0.000 -4.584) 8.761 26.411 ( 3.693 0.000 3.728) 5.248 26.447 ( 2.218 0.000 -8.935) 9.206 26.499 ( -2.116 0.000 4.170) 4.676 26.725 ( 5.815 0.000 -1.989) 6.145 27.223 ( 4.980 0.000 -3.016) 5.822 27.296 ( -2.830 0.000 -6.944) 7.498 27.599 ( 3.202 0.000 -8.498) 9.081 27.888 ( 0.725 0.000 -4.180) 4.242 28.126 ( 18.109 0.000 2.989) 18.354 28.492 ( -8.988 0.000 12.340) 15.266 29.521 ( -15.868 0.000 8.634) 18.065 ======================= Grid point 266 (144/159) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 2.041 0.000 3.577) 4.118 3.233 ( 29.837 0.000 -9.003) 31.166 3.465 ( 29.206 0.000 3.264) 29.387 3.952 ( -0.734 0.000 -8.979) 9.009 4.031 ( -14.768 0.000 5.076) 15.616 4.146 ( -0.571 0.000 -3.334) 3.383 4.223 ( 4.662 0.000 2.849) 5.464 4.627 ( -1.059 0.000 -6.064) 6.156 4.877 ( 11.996 0.000 -13.949) 18.398 4.941 ( 19.474 0.000 -11.832) 22.787 5.163 ( -5.075 0.000 -2.899) 5.845 5.323 ( -16.430 0.000 -5.108) 17.206 5.637 ( -9.466 0.000 1.871) 9.649 5.815 ( -0.324 0.000 5.188) 5.198 5.822 ( 6.354 0.000 2.060) 6.680 6.209 ( -16.870 0.000 1.671) 16.952 6.466 ( -8.291 0.000 -4.690) 9.525 6.589 ( 7.835 0.000 -2.985) 8.385 6.664 ( -8.863 0.000 -17.762) 19.851 6.681 ( -7.668 0.000 -4.001) 8.649 6.909 ( -6.574 0.000 -11.953) 13.642 7.264 ( -13.810 0.000 -0.710) 13.829 7.621 ( 5.651 0.000 8.162) 9.927 7.819 ( 0.117 0.000 -5.201) 5.202 8.279 ( -2.678 0.000 0.859) 2.812 8.628 ( -6.292 0.000 4.230) 7.582 8.777 ( -4.784 0.000 7.770) 9.125 8.907 ( -6.245 0.000 12.204) 13.709 8.948 ( -3.018 0.000 -4.517) 5.433 9.184 ( -8.615 0.000 -2.138) 8.876 9.380 ( -9.056 0.000 0.524) 9.071 9.460 ( 4.110 0.000 -10.051) 10.858 10.360 ( -16.596 0.000 1.869) 16.701 10.526 ( 2.975 0.000 -1.258) 3.230 10.589 ( -12.036 0.000 4.899) 12.995 10.763 ( 7.017 0.000 -7.823) 10.509 10.972 ( -5.575 0.000 11.861) 13.106 11.151 ( -0.910 0.000 4.952) 5.035 11.312 ( -4.823 0.000 0.903) 4.907 11.442 ( -0.626 0.000 -10.796) 10.814 11.675 ( -1.804 0.000 2.230) 2.868 11.903 ( -2.288 0.000 -4.567) 5.108 11.969 ( 5.170 0.000 -7.447) 9.066 12.209 ( -3.765 0.000 -5.103) 6.341 12.353 ( -10.906 0.000 2.886) 11.281 12.534 ( -1.512 0.000 -14.684) 14.762 12.622 ( 9.661 0.000 -1.734) 9.815 13.060 ( -8.662 0.000 -5.029) 10.016 13.362 ( 3.192 0.000 1.054) 3.362 13.545 ( 1.551 0.000 5.774) 5.979 13.724 ( 3.038 0.000 4.422) 5.365 13.893 ( 2.924 0.000 -3.651) 4.677 14.064 ( 7.142 0.000 18.303) 19.647 14.128 ( 15.247 0.000 2.169) 15.401 14.427 ( -1.249 0.000 3.506) 3.722 14.596 ( 7.048 0.000 9.377) 11.730 14.636 ( -4.079 0.000 2.804) 4.950 15.039 ( 9.930 0.000 1.837) 10.098 15.186 ( 0.871 0.000 8.860) 8.903 15.334 ( 6.821 0.000 -1.123) 6.913 15.475 ( 1.773 0.000 -3.477) 3.903 15.610 ( 10.171 0.000 4.583) 11.156 15.651 ( 3.906 0.000 10.910) 11.588 15.731 ( 2.910 0.000 -0.853) 3.032 15.907 ( 11.021 0.000 -1.056) 11.072 16.100 ( 0.717 0.000 -6.687) 6.725 16.272 ( 1.431 0.000 3.581) 3.856 16.329 ( 0.070 0.000 1.731) 1.733 16.499 ( 1.958 0.000 4.273) 4.700 16.543 ( -4.040 0.000 -2.777) 4.902 16.909 ( -7.898 0.000 18.313) 19.943 17.128 ( 5.976 0.000 13.474) 14.739 17.306 ( -1.613 0.000 -10.761) 10.881 17.369 ( -7.104 0.000 -9.414) 11.793 17.668 ( 5.647 0.000 -1.664) 5.887 17.743 ( 8.524 0.000 -14.678) 16.973 18.008 ( 7.687 0.000 9.078) 11.895 18.260 ( 4.539 0.000 6.856) 8.222 18.676 ( -6.557 0.000 -4.905) 8.188 18.735 ( -0.439 0.000 -14.551) 14.558 24.861 ( 2.064 0.000 0.934) 2.266 24.928 ( 0.500 0.000 -0.477) 0.691 25.118 ( 7.300 0.000 -2.065) 7.586 25.294 ( -3.755 0.000 3.032) 4.827 26.274 ( 6.922 0.000 -3.792) 7.893 26.409 ( 5.856 0.000 -7.363) 9.407 26.461 ( -1.878 0.000 1.566) 2.446 26.512 ( -3.339 0.000 5.044) 6.049 26.795 ( 5.214 0.000 -0.563) 5.244 27.121 ( -4.933 0.000 -7.946) 9.353 27.265 ( 3.925 0.000 -1.394) 4.165 27.506 ( 0.689 0.000 -11.488) 11.509 27.957 ( 8.964 0.000 1.505) 9.090 28.454 ( -12.663 0.000 9.023) 15.549 28.480 ( 18.832 0.000 5.547) 19.632 29.342 ( -16.632 0.000 3.686) 17.035 ======================= Grid point 267 (145/159) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 159 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( 14.979 0.000 3.094) 15.295 3.543 ( 9.177 0.000 1.080) 9.240 3.774 ( -5.685 0.000 -2.678) 6.284 3.820 ( 3.556 0.000 4.641) 5.847 3.963 ( 4.009 0.000 -3.113) 5.075 4.027 ( -4.969 0.000 -4.298) 6.570 4.345 ( 1.664 0.000 6.611) 6.817 4.458 ( -4.371 0.000 -7.635) 8.797 4.984 ( 9.066 0.000 2.284) 9.349 5.039 ( 11.478 0.000 -11.004) 15.901 5.118 ( -9.787 0.000 3.283) 10.323 5.170 ( -1.989 0.000 -1.135) 2.290 5.519 ( 3.800 0.000 1.029) 3.937 5.792 ( -16.765 0.000 2.540) 16.956 5.885 ( 2.612 0.000 0.931) 2.773 5.946 ( -9.670 0.000 -3.228) 10.195 6.366 ( -0.470 0.000 -1.135) 1.228 6.383 ( -4.362 0.000 -5.574) 7.077 6.538 ( -0.090 0.000 -6.953) 6.954 6.558 ( -1.004 0.000 -5.966) 6.050 6.933 ( 10.358 0.000 0.287) 10.362 7.085 ( -9.121 0.000 -0.229) 9.124 7.746 ( 3.139 0.000 0.847) 3.251 7.777 ( -0.684 0.000 -1.232) 1.409 8.359 ( 4.355 0.000 8.086) 9.184 8.535 ( -6.623 0.000 -3.955) 7.714 8.850 ( -0.128 0.000 8.065) 8.066 8.902 ( -3.938 0.000 1.903) 4.374 8.907 ( 2.540 0.000 -1.270) 2.840 9.024 ( -6.711 0.000 -4.731) 8.211 9.328 ( -8.637 0.000 13.201) 15.775 9.389 ( 6.642 0.000 -14.814) 16.235 10.228 ( -3.968 0.000 3.636) 5.382 10.323 ( -10.446 0.000 -2.620) 10.770 10.684 ( 3.881 0.000 3.976) 5.556 10.758 ( 1.227 0.000 -4.291) 4.463 11.030 ( -2.334 0.000 8.649) 8.959 11.127 ( -0.801 0.000 -7.205) 7.249 11.291 ( -2.938 0.000 5.547) 6.277 11.329 ( 1.817 0.000 -7.716) 7.927 11.713 ( 1.376 0.000 3.762) 4.006 11.791 ( -2.736 0.000 -4.369) 5.155 11.995 ( 7.034 0.000 -4.334) 8.262 12.083 ( -7.570 0.000 -0.154) 7.572 12.257 ( -7.017 0.000 7.657) 10.386 12.339 ( 1.004 0.000 -14.959) 14.993 12.774 ( 9.076 0.000 -0.379) 9.084 12.900 ( -8.152 0.000 -0.363) 8.160 13.462 ( 5.209 0.000 2.786) 5.907 13.551 ( -3.283 0.000 -0.352) 3.302 13.828 ( 2.379 0.000 4.217) 4.842 13.884 ( 0.913 0.000 -3.346) 3.469 14.322 ( 3.580 0.000 9.392) 10.051 14.362 ( 10.133 0.000 1.414) 10.231 14.434 ( 1.346 0.000 -1.152) 1.772 14.552 ( -9.252 0.000 1.262) 9.338 14.854 ( 6.946 0.000 13.814) 15.462 15.081 ( -0.847 0.000 -9.317) 9.355 15.305 ( 1.704 0.000 6.137) 6.369 15.369 ( 0.078 0.000 -1.924) 1.925 15.493 ( 0.901 0.000 6.882) 6.941 15.637 ( 1.277 0.000 -12.657) 12.722 15.749 ( 1.386 0.000 3.828) 4.071 15.770 ( 1.582 0.000 -1.408) 2.118 16.023 ( 2.469 0.000 6.333) 6.798 16.175 ( -1.647 0.000 -13.538) 13.638 16.215 ( 8.734 0.000 3.503) 9.410 16.300 ( -1.664 0.000 1.382) 2.163 16.594 ( 4.113 0.000 6.234) 7.469 16.726 ( 7.045 0.000 15.274) 16.820 16.802 ( -11.226 0.000 -3.105) 11.648 17.061 ( -9.041 0.000 -15.001) 17.515 17.335 ( 0.950 0.000 8.359) 8.413 17.356 ( 2.712 0.000 5.551) 6.178 17.687 ( 5.595 0.000 -10.694) 12.069 17.688 ( 0.235 0.000 -1.853) 1.868 18.261 ( 6.022 0.000 13.994) 15.235 18.401 ( 3.053 0.000 6.325) 7.024 18.520 ( -3.373 0.000 -15.288) 15.655 18.531 ( -4.021 0.000 -5.630) 6.918 24.898 ( 1.155 0.000 1.051) 1.561 24.921 ( -0.337 0.000 -0.856) 0.920 25.201 ( 6.710 0.000 -2.529) 7.170 25.260 ( -5.371 0.000 3.035) 6.170 26.343 ( 6.959 0.000 -2.710) 7.468 26.416 ( -5.583 0.000 1.617) 5.812 26.442 ( 7.142 0.000 -4.451) 8.416 26.498 ( -5.963 0.000 4.123) 7.250 26.874 ( 4.497 0.000 1.433) 4.720 26.976 ( -4.297 0.000 -4.470) 6.200 27.313 ( 2.093 0.000 2.025) 2.912 27.388 ( -0.622 0.000 -7.205) 7.231 28.142 ( 13.310 0.000 -0.773) 13.332 28.326 ( -14.350 0.000 4.762) 15.120 28.817 ( 17.394 0.000 3.604) 17.763 29.104 ( -16.693 0.000 -0.399) 16.698 ======================= Grid point 274 (146/159) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 133 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( 4.625 -9.685 -35.704) 37.283 3.399 ( -4.625 -9.685 35.704) 37.283 3.589 ( -0.123 -4.762 -16.067) 16.758 3.589 ( 0.123 -4.762 16.067) 16.758 3.827 ( 4.177 -12.755 -4.445) 14.139 3.827 ( -4.177 -12.755 4.445) 14.139 4.444 ( -2.428 0.303 -8.874) 9.205 4.444 ( 2.428 0.303 8.874) 9.205 5.274 ( 6.203 8.100 -14.290) 17.558 5.274 ( -6.203 8.100 14.290) 17.558 5.715 ( -2.777 18.095 -7.898) 19.938 5.715 ( 2.777 18.095 7.898) 19.938 5.981 ( 3.393 6.689 -11.767) 13.954 5.981 ( -3.393 6.689 11.767) 13.954 6.718 ( -1.499 -12.085 -5.487) 13.357 6.718 ( 1.499 -12.085 5.487) 13.357 7.212 ( 5.848 1.000 -5.633) 8.182 7.212 ( -5.848 1.000 5.633) 8.182 7.440 ( 9.115 4.398 -10.619) 14.669 7.440 ( -9.115 4.398 10.619) 14.669 7.756 ( 0.305 -6.156 -1.748) 6.407 7.756 ( -0.305 -6.156 1.748) 6.407 8.250 ( -12.050 3.522 -6.191) 13.998 8.250 ( 12.050 3.522 6.191) 13.998 8.721 ( -3.056 -2.055 -1.891) 4.140 8.721 ( 3.056 -2.055 1.891) 4.140 8.951 ( 3.834 3.417 -3.181) 6.041 8.951 ( -3.834 3.417 3.181) 6.041 9.286 ( -5.090 -0.301 -2.881) 5.857 9.286 ( 5.090 -0.301 2.881) 5.857 9.958 ( 10.468 -10.311 -8.137) 16.796 9.958 ( -10.468 -10.311 8.137) 16.796 10.271 ( 4.192 0.486 -3.049) 5.206 10.271 ( -4.192 0.486 3.049) 5.206 10.891 ( -10.390 6.738 -4.799) 13.281 10.891 ( 10.390 6.738 4.799) 13.281 11.166 ( -4.105 0.017 -3.496) 5.392 11.166 ( 4.105 0.017 3.496) 5.392 11.567 ( 3.406 -1.356 -3.295) 4.929 11.567 ( -3.406 -1.356 3.295) 4.929 11.702 ( -17.932 1.247 -0.594) 17.986 11.702 ( 17.932 1.247 0.594) 17.986 11.949 ( -1.197 -6.146 -6.283) 8.871 11.949 ( 1.197 -6.146 6.283) 8.871 12.158 ( -11.087 6.237 -8.697) 15.410 12.158 ( 11.087 6.237 8.697) 15.410 12.486 ( -2.952 -3.124 -2.277) 4.864 12.486 ( 2.952 -3.124 2.277) 4.864 13.008 ( -2.727 0.150 -4.277) 5.074 13.008 ( 2.727 0.150 4.277) 5.074 13.631 ( -2.916 -3.546 -1.109) 4.723 13.631 ( 2.916 -3.546 1.109) 4.723 13.856 ( -2.772 2.399 -1.192) 3.855 13.856 ( 2.772 2.399 1.192) 3.855 14.253 ( -9.886 5.294 -2.297) 11.447 14.253 ( 9.886 5.294 2.297) 11.447 14.359 ( -7.714 1.019 -9.854) 12.555 14.359 ( 7.714 1.019 9.854) 12.555 14.754 ( -4.007 -5.383 -0.783) 6.756 14.754 ( 4.007 -5.383 0.783) 6.756 15.016 ( -2.455 0.429 -0.748) 2.602 15.016 ( 2.455 0.429 0.748) 2.602 15.454 ( -2.299 -6.608 -4.552) 8.348 15.454 ( 2.299 -6.608 4.552) 8.348 15.621 ( -1.353 -8.787 -10.386) 13.671 15.621 ( 1.353 -8.787 10.386) 13.671 16.174 ( -3.226 9.917 -3.589) 11.029 16.174 ( 3.226 9.917 3.589) 11.029 16.466 ( 7.529 11.580 -3.607) 14.276 16.466 ( -7.529 11.580 3.607) 14.276 16.643 ( -9.003 1.047 -4.432) 10.089 16.643 ( 9.003 1.047 4.432) 10.089 17.260 ( -5.850 -2.198 -2.270) 6.649 17.260 ( 5.850 -2.198 2.270) 6.649 17.530 ( -6.107 -5.975 -4.627) 9.716 17.530 ( 6.107 -5.975 4.627) 9.716 18.559 ( -5.978 3.748 -3.555) 7.901 18.559 ( 5.978 3.748 3.555) 7.901 19.106 ( -2.382 -2.521 -1.765) 3.892 19.106 ( 2.382 -2.521 1.765) 3.892 24.750 ( -0.188 1.654 -1.820) 2.466 24.750 ( 0.188 1.654 1.820) 2.466 25.052 ( -0.296 -1.584 -4.745) 5.011 25.052 ( 0.296 -1.584 4.745) 5.011 25.967 ( 1.430 0.091 -2.777) 3.125 25.967 ( -1.430 0.091 2.777) 3.125 26.406 ( -1.363 -0.969 -3.062) 3.489 26.406 ( 1.363 -0.969 3.062) 3.489 26.607 ( -6.312 4.652 -0.247) 7.845 26.607 ( 6.312 4.652 0.247) 7.845 27.163 ( -1.238 -8.964 -3.066) 9.554 27.163 ( 1.238 -8.964 3.066) 9.554 28.556 ( 4.510 9.412 -17.212) 20.129 28.556 ( -4.510 9.412 17.212) 20.129 29.070 ( -3.407 -4.057 -22.878) 23.484 29.070 ( 3.407 -4.057 22.878) 23.484 ======================= Grid point 276 (147/159) ======================= q-point: ( 0.08 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 5.471 -5.769 -41.264) 42.023 3.214 ( 3.169 5.975 -37.542) 38.147 3.589 ( 5.087 -11.767 -7.369) 14.787 3.679 ( 0.037 -16.098 9.514) 18.699 3.988 ( 1.390 -12.582 13.911) 18.808 4.095 ( 4.961 -4.204 12.537) 14.123 4.372 ( 2.922 1.622 11.337) 11.819 4.580 ( -0.916 -0.167 11.225) 11.263 5.078 ( 1.513 10.288 -25.005) 27.081 5.260 ( 4.861 3.880 -12.298) 13.781 5.524 ( -4.957 19.969 -14.748) 25.315 5.736 ( -3.238 6.897 -3.213) 8.269 5.895 ( -2.263 15.461 -6.873) 17.070 6.073 ( 0.293 -0.513 4.486) 4.525 6.587 ( -4.604 -11.590 -3.336) 12.910 6.741 ( -3.925 -8.532 1.169) 9.464 6.995 ( -14.624 -4.928 -13.842) 20.731 7.122 ( -13.529 3.351 1.366) 14.005 7.376 ( -13.615 2.744 9.896) 17.054 7.485 ( 1.618 5.669 -3.198) 6.707 7.654 ( -6.825 -5.299 0.716) 8.670 7.816 ( 4.684 -5.893 -3.993) 8.521 7.993 ( -14.108 -3.458 1.840) 14.642 8.462 ( 5.650 8.760 5.366) 11.725 8.691 ( -1.074 -11.306 1.340) 11.435 8.749 ( -7.130 14.117 3.607) 16.221 8.850 ( -8.695 0.818 -1.785) 8.914 8.974 ( 4.135 2.128 1.162) 4.793 9.339 ( 10.296 -0.585 2.156) 10.536 9.410 ( -1.019 -9.968 8.425) 13.091 9.869 ( -4.962 -4.984 4.573) 8.389 10.058 ( 5.911 3.223 -5.873) 8.934 10.197 ( -7.993 -1.251 -1.150) 8.172 10.298 ( 4.416 -4.743 -3.010) 7.146 10.730 ( -1.457 9.819 -3.896) 10.664 10.981 ( -2.336 -2.726 -4.070) 5.428 11.186 ( 3.475 3.966 2.718) 5.933 11.266 ( -1.210 2.737 11.961) 12.330 11.456 ( -12.555 -0.410 3.681) 13.089 11.539 ( -5.673 1.209 5.170) 7.770 11.587 ( 3.342 -1.568 0.327) 3.706 11.824 ( -4.102 -7.544 -2.331) 8.898 11.902 ( -2.670 1.436 0.861) 3.152 12.040 ( 5.976 -1.867 -1.139) 6.364 12.051 ( 9.436 4.767 0.493) 10.583 12.314 ( 0.345 0.241 -4.911) 4.929 12.577 ( 6.417 -4.545 -0.165) 7.865 12.619 ( 19.155 0.735 8.181) 20.842 12.953 ( -0.958 -4.549 2.650) 5.351 13.190 ( 10.825 2.393 6.394) 12.798 13.520 ( -5.717 -2.801 -0.718) 6.407 13.686 ( 3.215 -2.408 -2.273) 4.615 13.874 ( 4.370 1.060 0.968) 4.599 13.949 ( 4.404 -0.541 0.968) 4.541 14.118 ( -5.847 -0.248 -8.256) 10.120 14.137 ( -3.253 9.257 1.170) 9.882 14.416 ( 3.275 6.246 1.183) 7.151 14.562 ( 0.055 0.290 10.049) 10.054 14.777 ( 8.570 -1.751 0.054) 8.747 14.845 ( 6.315 0.058 0.160) 6.317 14.968 ( 2.174 0.688 0.793) 2.414 15.131 ( 12.590 -3.398 -5.485) 14.147 15.319 ( -6.512 -7.489 -5.265) 11.234 15.452 ( -1.414 -13.696 -7.995) 15.922 15.527 ( -0.580 -1.970 1.814) 2.740 15.733 ( -1.436 -7.628 6.206) 9.938 16.055 ( -5.597 10.292 -0.799) 11.743 16.229 ( -2.642 6.180 5.694) 8.809 16.406 ( -6.916 6.637 0.063) 9.586 16.513 ( -1.834 0.327 2.900) 3.447 16.575 ( 6.279 14.884 -0.907) 16.180 16.854 ( 9.661 1.812 5.665) 11.345 17.148 ( -2.803 -3.308 -3.085) 5.321 17.313 ( 1.644 -0.670 -5.681) 5.952 17.440 ( 2.260 -7.566 -0.658) 7.923 17.653 ( 4.199 -4.897 1.060) 6.537 18.410 ( -5.918 7.016 -5.153) 10.526 18.667 ( 5.150 2.087 -0.559) 5.585 19.001 ( -8.837 -3.394 -0.524) 9.481 19.148 ( -0.672 -2.460 1.784) 3.112 24.739 ( 1.898 1.630 -2.202) 3.333 24.788 ( 2.204 1.237 1.022) 2.726 25.005 ( 1.772 -0.329 -4.908) 5.229 25.123 ( 1.860 -2.476 3.966) 5.032 25.989 ( 5.256 0.292 -2.378) 5.776 26.014 ( 2.698 -0.278 3.242) 4.227 26.409 ( 4.072 0.617 -0.409) 4.139 26.511 ( 1.032 2.476 3.530) 4.434 26.540 ( 1.854 -2.341 0.735) 3.075 26.741 ( 9.143 6.430 2.845) 11.534 27.114 ( 0.111 -9.163 -2.933) 9.622 27.238 ( 4.502 -8.863 1.864) 10.114 28.370 ( -0.806 3.465 -17.352) 17.713 28.647 ( -5.735 9.919 4.115) 12.174 28.721 ( -8.106 2.784 -13.004) 15.575 29.352 ( -1.964 -5.015 21.393) 22.060 ======================= Grid point 277 (148/159) ======================= q-point: ( 0.15 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 12.438 5.024 -34.694) 37.197 2.899 ( 16.941 9.274 -36.556) 41.344 3.600 ( 7.278 -12.371 -8.873) 16.875 3.754 ( 11.642 -20.092 -8.897) 24.867 4.042 ( -0.238 5.438 1.120) 5.558 4.254 ( 3.933 -7.457 4.048) 9.352 4.597 ( -8.310 10.445 -5.358) 14.383 4.727 ( 13.263 -0.846 2.256) 13.480 4.878 ( -0.547 2.428 8.617) 8.969 5.112 ( -5.979 17.193 -17.535) 25.275 5.334 ( 7.880 6.606 -9.872) 14.255 5.608 ( -4.131 4.356 1.206) 6.123 5.795 ( -0.743 4.682 -7.101) 8.538 6.014 ( -3.007 -8.683 -9.282) 13.061 6.469 ( -13.659 -10.985 -11.375) 20.896 6.534 ( -8.581 2.497 -10.221) 13.577 6.704 ( -5.203 -14.181 -2.156) 15.259 6.786 ( -19.122 5.678 -4.300) 20.405 7.245 ( -16.371 2.220 4.320) 17.077 7.404 ( -8.452 5.944 0.786) 10.363 7.546 ( -5.844 -4.950 -3.517) 8.427 7.795 ( -17.338 -8.757 2.006) 19.528 7.850 ( 3.418 -8.522 -2.422) 9.496 8.549 ( -4.727 7.126 5.934) 10.409 8.597 ( -14.261 9.630 0.107) 17.209 8.704 ( -8.047 -1.908 4.297) 9.320 8.736 ( -1.644 -0.474 5.254) 5.525 9.060 ( 3.179 1.201 0.553) 3.443 9.370 ( -6.774 -11.918 5.072) 14.617 9.552 ( -2.294 -6.976 5.482) 9.164 9.842 ( -5.273 3.781 -0.829) 6.541 9.947 ( -17.357 3.437 -3.859) 18.110 10.099 ( 9.915 8.827 -3.833) 13.817 10.326 ( 9.298 -3.591 -5.972) 11.619 10.749 ( 8.021 8.763 -2.191) 12.080 10.928 ( 2.175 -1.908 -3.341) 4.419 11.180 ( -8.757 1.450 4.550) 9.974 11.352 ( -9.235 1.571 12.278) 15.444 11.407 ( -11.622 3.291 0.116) 12.080 11.440 ( 2.059 3.632 5.445) 6.861 11.692 ( -1.336 -7.118 4.212) 8.378 11.838 ( 6.377 -5.891 -1.554) 8.819 11.894 ( 2.100 1.904 0.451) 2.870 12.086 ( -0.372 7.660 9.390) 12.123 12.247 ( 11.943 -4.883 0.860) 12.931 12.346 ( 11.082 0.486 2.376) 11.344 12.614 ( 2.354 -6.696 -4.404) 8.353 12.974 ( 6.630 -8.925 1.041) 11.167 13.102 ( 16.331 -2.966 9.308) 19.030 13.376 ( 1.668 -6.217 3.974) 7.565 13.524 ( 6.121 9.037 1.490) 11.016 13.724 ( 1.368 -0.325 0.817) 1.626 13.871 ( -3.548 3.984 -3.704) 6.495 13.936 ( -0.763 0.300 -4.281) 4.359 14.090 ( 8.341 2.197 -0.533) 8.642 14.197 ( 6.055 6.061 5.364) 10.108 14.469 ( 0.187 3.756 2.387) 4.454 14.534 ( -3.977 6.356 0.760) 7.536 14.886 ( 5.332 0.106 -1.091) 5.443 14.951 ( 7.175 2.932 0.106) 7.751 15.111 ( -1.359 -3.176 -11.129) 11.653 15.221 ( 15.246 -6.219 9.826) 19.175 15.244 ( 4.012 -1.199 -4.205) 5.934 15.383 ( 2.501 -11.927 -1.139) 12.239 15.576 ( 1.736 -6.045 4.696) 7.849 15.728 ( -4.063 -0.804 3.416) 5.369 16.036 ( 2.283 2.074 1.563) 3.458 16.259 ( -5.759 -0.099 6.715) 8.847 16.307 ( -2.650 3.435 2.264) 4.894 16.555 ( -0.071 -3.091 1.451) 3.416 16.636 ( 2.418 18.510 2.874) 18.887 17.029 ( 1.323 2.282 4.756) 5.439 17.158 ( 9.225 -1.439 -0.209) 9.339 17.292 ( 5.762 -1.226 -4.503) 7.415 17.500 ( 5.656 -7.534 -1.973) 9.625 17.680 ( 0.715 -5.028 -2.306) 5.578 18.269 ( -3.688 10.118 -5.441) 12.065 18.648 ( -4.464 7.183 -8.747) 12.167 18.856 ( -4.385 -9.159 -1.608) 10.281 19.121 ( -4.801 -2.404 0.736) 5.420 24.752 ( 3.142 1.371 -2.220) 4.084 24.836 ( 3.075 0.225 -0.076) 3.084 24.990 ( 3.163 1.246 -3.844) 5.132 25.197 ( 1.756 -3.013 3.221) 4.747 26.062 ( 7.720 0.507 -2.511) 8.134 26.123 ( 5.670 -0.911 3.639) 6.799 26.478 ( 1.854 1.130 -0.762) 2.301 26.500 ( 0.938 2.248 2.188) 3.274 26.653 ( 5.706 -1.542 -0.708) 5.953 26.970 ( 11.745 3.102 6.529) 13.792 27.109 ( 4.310 -6.632 -1.741) 8.099 27.362 ( 9.024 -8.157 2.217) 12.365 28.122 ( -3.597 -1.019 -17.750) 18.140 28.318 ( -5.172 -3.186 -22.821) 23.615 28.704 ( -10.429 20.873 14.333) 27.384 29.517 ( -8.147 -5.850 18.587) 21.120 ======================= Grid point 278 (149/159) ======================= q-point: ( 0.23 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 28.821 11.458 -18.866) 36.302 2.861 ( 27.518 11.241 -27.622) 40.578 3.537 ( -3.624 -11.950 -7.488) 14.560 3.858 ( 20.639 -16.141 -16.844) 31.148 4.083 ( 0.500 9.975 3.104) 10.458 4.221 ( 0.758 14.274 -10.569) 17.777 4.427 ( 2.872 -2.267 -7.900) 8.706 4.634 ( -14.826 0.024 -0.629) 14.839 4.965 ( 9.824 23.585 -11.977) 28.217 5.134 ( 13.751 -0.259 1.816) 13.873 5.327 ( 6.947 4.717 -11.209) 14.006 5.557 ( -20.085 -12.919 0.755) 23.893 5.782 ( 2.130 -1.582 4.411) 5.147 5.815 ( -5.074 -11.673 -11.087) 16.879 6.087 ( -6.387 4.684 -0.153) 7.922 6.352 ( -8.926 3.337 -6.255) 11.399 6.500 ( -2.235 -3.297 -12.983) 13.581 6.684 ( -4.812 -10.433 9.957) 15.203 7.004 ( -16.577 1.958 -1.769) 16.786 7.241 ( -13.097 -2.025 0.434) 13.260 7.362 ( -8.376 -15.478 -10.577) 20.533 7.533 ( -13.681 1.622 -0.444) 13.784 7.829 ( -1.828 -7.953 -3.077) 8.722 8.237 ( -18.743 13.342 -12.251) 26.066 8.554 ( -10.182 -5.226 8.616) 14.326 8.654 ( -9.266 1.472 9.669) 13.473 8.750 ( -5.366 -0.434 3.931) 6.666 9.024 ( -6.772 1.487 -2.221) 7.281 9.276 ( -9.411 -11.098 -4.364) 15.192 9.425 ( -12.055 -5.912 2.199) 13.606 9.664 ( -11.200 1.846 -4.781) 12.317 9.685 ( -6.873 1.443 -4.813) 8.514 10.258 ( 12.757 9.282 -1.309) 15.831 10.503 ( 17.119 -0.515 -3.605) 17.502 10.856 ( -0.326 7.003 2.311) 7.382 10.938 ( -1.312 -0.661 5.853) 6.034 11.057 ( -16.488 4.420 3.932) 17.517 11.164 ( -12.258 5.192 2.443) 13.535 11.396 ( -2.345 0.378 3.596) 4.310 11.534 ( 2.934 5.459 2.886) 6.836 11.711 ( -0.195 -5.462 4.741) 7.235 11.838 ( -3.518 0.349 -1.389) 3.798 11.969 ( 5.754 -1.252 0.622) 5.921 12.211 ( 5.428 6.051 3.943) 9.035 12.453 ( 2.653 -7.975 -0.470) 8.417 12.590 ( 6.894 -8.955 0.814) 11.331 12.710 ( 16.467 -0.645 15.135) 22.375 12.953 ( -1.473 -8.352 -8.796) 12.219 13.348 ( -0.297 -0.970 3.815) 3.948 13.461 ( 6.225 -2.314 3.821) 7.662 13.574 ( -0.908 0.323 -5.895) 5.974 13.711 ( 3.436 3.149 0.584) 4.698 13.793 ( -3.675 10.087 -1.763) 10.879 14.005 ( 11.300 1.733 3.964) 12.100 14.148 ( 2.669 5.762 -3.097) 7.065 14.355 ( -2.805 1.944 -1.658) 3.794 14.435 ( 11.471 5.159 5.629) 13.780 14.760 ( 9.257 1.725 12.653) 15.772 14.913 ( 0.220 -5.427 0.208) 5.436 15.028 ( 5.026 -0.966 -0.370) 5.131 15.090 ( 10.302 1.380 -1.288) 10.474 15.218 ( 5.331 3.094 -5.706) 8.399 15.417 ( 2.531 -5.353 2.862) 6.577 15.615 ( 10.260 -8.032 9.642) 16.209 15.635 ( 0.234 -2.501 3.218) 4.083 15.778 ( 2.873 -4.531 6.929) 8.763 16.130 ( 3.336 -0.672 2.272) 4.092 16.235 ( 0.462 -2.893 3.459) 4.533 16.391 ( -0.126 1.942 10.169) 10.353 16.539 ( 1.964 -1.196 -1.863) 2.959 16.759 ( 2.948 13.738 9.068) 16.723 17.022 ( -3.339 4.480 -2.254) 6.025 17.356 ( 10.441 -0.417 2.297) 10.699 17.376 ( 6.701 -1.780 3.161) 7.620 17.542 ( 3.232 -9.006 -5.246) 10.912 17.656 ( 4.496 -5.006 -5.081) 8.431 18.173 ( -0.731 12.048 -4.560) 12.902 18.348 ( -11.595 7.282 -14.427) 19.890 18.814 ( 1.726 -8.820 -5.850) 10.724 19.026 ( -5.806 -2.011 -2.197) 6.525 24.781 ( 3.515 1.088 -1.576) 4.002 24.879 ( 3.220 -0.716 -0.789) 3.392 25.007 ( 3.790 2.288 -2.347) 5.011 25.249 ( 0.245 -3.215 2.789) 4.263 26.153 ( 8.089 0.870 -3.164) 8.729 26.263 ( 6.246 -1.794 3.464) 7.364 26.479 ( -0.206 0.306 0.747) 0.833 26.520 ( 0.920 -0.064 -4.156) 4.257 26.708 ( 5.308 3.321 -2.036) 6.584 27.102 ( 4.642 -6.886 -1.900) 8.519 27.303 ( 10.896 4.551 6.057) 13.271 27.564 ( 11.252 -5.541 1.873) 12.682 27.848 ( -3.730 -3.199 -14.061) 14.895 28.036 ( 1.446 -4.076 -17.185) 17.721 28.707 ( -11.134 20.366 13.753) 26.980 29.549 ( -13.354 -6.458 14.265) 20.580 ======================= Grid point 279 (150/159) ======================= q-point: ( 0.31 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 34.397 9.263 -6.789) 36.263 3.054 ( 31.325 13.063 -15.143) 37.165 3.342 ( -10.742 0.880 -1.170) 10.842 3.925 ( 12.121 -11.075 -16.310) 23.143 4.100 ( 1.406 9.627 2.809) 10.127 4.211 ( -2.329 4.902 2.234) 5.869 4.351 ( 0.129 9.016 -4.278) 9.980 4.575 ( 9.496 -10.050 -5.976) 15.062 4.931 ( 7.628 20.777 -15.126) 26.808 5.112 ( 1.728 7.603 -17.743) 19.380 5.214 ( -11.831 -13.577 -3.346) 18.316 5.481 ( 0.405 -5.804 8.810) 10.558 5.636 ( 1.247 -6.670 -13.861) 15.433 5.764 ( 0.943 3.463 0.752) 3.667 5.979 ( -12.411 8.952 -1.786) 15.407 6.269 ( -8.602 -3.260 8.512) 12.533 6.465 ( 6.593 -6.987 -1.771) 9.769 6.654 ( -14.803 -1.893 -7.512) 16.708 6.766 ( -2.849 -6.374 5.713) 9.021 6.996 ( -12.905 -3.125 -9.186) 16.146 7.160 ( -6.320 -13.475 0.839) 14.907 7.389 ( -3.429 1.857 -4.065) 5.633 7.693 ( -13.785 6.512 -5.171) 16.099 7.827 ( -5.407 -1.612 -11.891) 13.162 8.384 ( -12.999 -4.452 -6.737) 15.303 8.601 ( -11.833 -13.768 8.059) 19.862 8.705 ( -7.933 4.330 7.980) 12.057 8.932 ( -5.027 4.437 6.046) 9.029 9.014 ( -12.270 -5.114 -4.221) 13.947 9.346 ( 0.372 -6.347 -5.490) 8.400 9.445 ( -10.353 -5.156 -3.528) 12.092 9.559 ( -2.844 1.483 -4.612) 5.618 10.416 ( 7.619 4.494 -1.111) 8.915 10.661 ( 7.555 0.215 -7.208) 10.444 10.729 ( -14.494 1.181 -0.653) 14.557 10.828 ( -12.877 6.782 6.434) 15.913 10.976 ( -8.657 3.213 9.097) 12.962 11.102 ( -6.087 -0.525 7.407) 9.602 11.376 ( -2.715 1.474 0.110) 3.091 11.577 ( 1.967 3.090 -2.678) 4.538 11.724 ( -5.241 1.254 -0.390) 5.403 11.852 ( 2.984 -3.847 3.516) 6.005 12.007 ( 3.086 0.358 -5.039) 5.919 12.301 ( 3.729 4.495 -2.206) 6.243 12.451 ( 0.617 2.410 1.687) 3.006 12.621 ( -2.186 -2.634 -2.020) 3.974 12.777 ( -1.618 -0.219 -11.793) 11.906 13.096 ( 5.226 -5.095 6.840) 10.003 13.378 ( 0.944 -2.106 7.685) 8.024 13.441 ( -2.132 3.252 -4.276) 5.780 13.668 ( 9.750 -0.819 7.061) 12.066 13.710 ( -0.082 5.977 -0.954) 6.053 13.837 ( 8.323 1.648 0.598) 8.506 14.099 ( 2.341 10.311 1.152) 10.636 14.327 ( 6.775 -2.901 7.018) 10.177 14.407 ( 8.053 -2.180 4.674) 9.563 14.605 ( 4.463 6.592 3.812) 8.826 14.932 ( 0.664 -1.568 6.854) 7.062 14.996 ( 4.246 -4.130 5.628) 8.171 15.148 ( 9.738 -5.122 -0.887) 11.038 15.251 ( 10.666 2.210 1.346) 10.976 15.389 ( 12.690 -1.482 -0.650) 12.793 15.505 ( 6.401 0.344 7.160) 9.610 15.656 ( -0.128 -4.325 1.344) 4.531 15.786 ( 2.923 -2.156 4.722) 5.957 15.923 ( 4.444 -11.246 1.452) 12.179 16.187 ( 0.246 0.045 8.476) 8.480 16.290 ( 0.074 -4.101 -0.139) 4.104 16.529 ( 4.784 9.201 5.911) 11.937 16.659 ( 3.266 -2.042 12.716) 13.287 16.845 ( -6.342 6.891 -6.295) 11.284 16.964 ( 2.520 8.227 11.181) 14.108 17.427 ( -4.207 -6.827 -8.751) 11.870 17.475 ( 3.931 -3.870 -0.395) 5.530 17.569 ( 8.984 0.345 2.432) 9.314 17.719 ( 10.038 -2.865 -5.627) 11.858 18.018 ( -5.069 9.884 -11.634) 16.085 18.174 ( 2.459 3.844 -0.155) 4.566 18.735 ( -1.018 -6.554 -7.890) 10.308 18.903 ( -3.191 -1.407 -6.745) 7.593 24.822 ( 3.394 0.940 -0.479) 3.554 24.917 ( 2.574 -0.364 -0.328) 2.620 25.046 ( 4.608 1.509 -1.837) 5.185 25.271 ( -1.685 -3.176 2.687) 4.488 26.227 ( 6.986 1.129 -3.895) 8.078 26.370 ( 3.799 -3.094 -0.375) 4.914 26.470 ( 2.522 1.193 -4.163) 5.012 26.496 ( -0.231 -0.223 1.361) 1.398 26.775 ( 5.209 4.973 -0.810) 7.247 27.136 ( 2.955 -5.750 -2.534) 6.944 27.383 ( -0.572 5.241 -8.300) 9.833 27.568 ( 1.776 -3.135 -9.323) 9.996 27.833 ( 6.054 -2.982 -0.241) 6.752 28.061 ( 15.192 -5.149 1.699) 16.130 28.689 ( -11.033 16.634 11.594) 23.083 29.460 ( -15.977 -6.473 9.046) 19.468 ======================= Grid point 280 (151/159) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 1.649 4.812 2.334) 5.596 3.351 ( 21.542 8.639 -4.162) 23.580 3.521 ( 28.708 5.663 1.414) 29.295 3.900 ( 8.712 -4.495 -12.482) 15.872 4.031 ( -17.226 4.062 10.011) 20.333 4.253 ( 5.564 4.131 0.111) 6.931 4.363 ( 1.969 18.602 -1.952) 18.808 4.648 ( 5.394 -3.779 -7.421) 9.922 4.901 ( 5.474 4.128 -8.036) 10.563 4.959 ( 6.681 2.791 -8.946) 11.509 5.052 ( -1.867 -5.632 -6.402) 8.728 5.334 ( -11.196 -1.359 -7.250) 13.408 5.576 ( -6.794 -5.195 3.486) 9.236 5.825 ( 0.771 1.540 5.183) 5.461 5.919 ( -3.439 6.914 2.063) 7.993 6.097 ( -13.773 -9.869 -4.512) 17.534 6.365 ( -2.902 -7.642 -0.630) 8.198 6.585 ( 3.796 -2.243 -4.887) 6.582 6.658 ( -9.458 3.478 -10.757) 14.740 6.793 ( -1.486 7.245 -3.278) 8.090 7.039 ( -6.790 9.225 -7.877) 13.901 7.192 ( -10.954 -7.130 -1.573) 13.164 7.582 ( 5.427 -6.648 -2.380) 8.905 7.738 ( 0.409 -5.716 -3.095) 6.513 8.167 ( -4.039 -10.630 -0.223) 11.373 8.535 ( -6.445 -16.614 4.992) 18.506 8.671 ( -8.556 3.056 6.760) 11.325 8.831 ( -5.702 0.387 -3.173) 6.537 8.970 ( -3.168 3.064 6.541) 7.887 9.235 ( -5.108 -9.395 -1.447) 10.791 9.321 ( -4.457 0.957 -1.012) 4.670 9.466 ( 0.430 -3.441 -7.858) 8.589 10.330 ( -14.933 -0.429 0.266) 14.942 10.511 ( -16.237 -5.922 -2.075) 17.408 10.629 ( 4.297 6.082 -0.225) 7.450 10.799 ( 2.217 3.035 -4.175) 5.617 10.962 ( -6.383 -0.388 9.255) 11.250 11.123 ( -2.544 -2.582 5.218) 6.353 11.331 ( -2.303 3.251 -0.400) 4.005 11.502 ( -1.495 3.826 -9.420) 10.277 11.670 ( -1.764 0.176 3.038) 3.517 11.844 ( -2.798 -6.482 -2.391) 7.454 12.008 ( 4.891 5.074 -4.081) 8.144 12.266 ( -2.141 5.966 -5.610) 8.464 12.351 ( -9.927 1.574 -0.185) 10.053 12.549 ( -2.883 -1.733 -12.360) 12.809 12.783 ( 9.772 15.242 4.056) 18.554 13.092 ( -3.416 0.872 -2.073) 4.089 13.372 ( 1.729 2.328 0.760) 2.997 13.520 ( 1.404 -3.383 3.178) 4.849 13.759 ( 4.860 4.162 1.860) 6.664 13.869 ( 1.308 3.252 1.448) 3.793 14.031 ( 12.336 -2.910 11.497) 17.112 14.238 ( 7.918 5.597 4.830) 10.833 14.460 ( 1.873 1.193 6.573) 6.938 14.555 ( 1.498 3.682 4.557) 6.047 14.717 ( 1.695 1.981 7.526) 7.965 15.053 ( 6.092 -2.993 5.333) 8.632 15.104 ( 2.533 -2.808 1.406) 4.035 15.313 ( 9.816 -4.723 0.455) 10.902 15.399 ( 1.381 -5.664 3.388) 6.743 15.489 ( 10.695 -5.194 -2.726) 12.198 15.643 ( 2.136 -8.641 -7.062) 11.362 15.704 ( 2.185 -2.790 5.041) 6.162 15.892 ( 5.024 -0.424 -0.208) 5.046 15.987 ( 3.544 -4.724 6.707) 8.936 16.281 ( -1.059 -1.549 1.540) 2.427 16.361 ( 4.883 1.384 10.522) 11.681 16.593 ( -4.894 5.597 -8.738) 11.473 16.630 ( 1.274 11.389 1.023) 11.506 16.859 ( -3.957 -3.506 11.294) 12.470 17.173 ( 0.418 1.239 10.401) 10.483 17.256 ( -1.000 -1.212 -4.050) 4.344 17.435 ( -3.224 3.331 -5.314) 7.052 17.672 ( 6.254 0.736 -3.435) 7.173 17.760 ( 7.404 1.150 -12.300) 14.402 18.002 ( 6.036 0.395 7.302) 9.482 18.260 ( 2.899 -1.215 5.815) 6.610 18.610 ( -1.998 -3.289 -8.316) 9.163 18.753 ( -2.829 -0.532 -10.605) 10.989 24.870 ( 2.862 1.096 0.201) 3.071 24.943 ( 0.673 1.077 0.095) 1.273 25.106 ( 5.962 -0.740 -1.887) 6.297 25.264 ( -3.459 -3.033 2.755) 5.362 26.283 ( 6.529 1.001 -3.475) 7.464 26.386 ( 4.660 -1.948 -4.888) 7.028 26.479 ( -0.188 1.262 -0.571) 1.398 26.510 ( -2.153 -0.182 3.714) 4.297 26.844 ( 4.436 4.868 -0.087) 6.586 27.101 ( -2.122 -1.785 -4.892) 5.623 27.282 ( 1.366 1.258 -4.711) 5.063 27.454 ( 0.448 -4.912 -11.135) 12.179 27.983 ( 10.329 3.105 2.526) 11.077 28.329 ( 7.620 -6.669 6.207) 11.877 28.669 ( -3.833 12.484 7.258) 14.941 29.288 ( -16.198 -5.664 4.102) 17.643 ======================= Grid point 281 (152/159) ======================= q-point: ( 0.46 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( 11.086 0.004 2.840) 11.444 3.531 ( -4.408 -3.027 4.483) 6.978 3.839 ( 7.578 4.943 0.912) 9.094 3.870 ( 6.332 3.136 -7.299) 10.159 4.037 ( 7.411 12.122 1.864) 14.330 4.197 ( -6.913 14.340 -4.488) 16.540 4.421 ( 1.633 10.310 6.650) 12.376 4.536 ( -3.111 7.426 -7.163) 10.777 4.964 ( 10.342 -6.634 -8.677) 15.042 5.010 ( 0.719 0.313 4.232) 4.304 5.028 ( 1.848 -5.930 1.721) 6.445 5.157 ( -5.647 -1.721 -1.661) 6.133 5.471 ( -0.805 -5.719 -0.666) 5.813 5.682 ( -17.620 -11.240 -5.553) 21.625 5.931 ( 1.676 4.469 6.805) 8.312 5.982 ( -2.765 3.334 3.804) 5.764 6.390 ( -0.819 0.540 -6.418) 6.492 6.428 ( -3.184 5.417 -6.113) 8.767 6.511 ( 2.591 1.188 -1.110) 3.059 6.658 ( -4.567 7.503 -8.978) 12.560 6.995 ( 6.964 5.590 -0.849) 8.970 7.086 ( -6.329 -0.010 2.153) 6.685 7.636 ( 4.418 -14.460 -0.940) 15.149 7.701 ( -1.530 -9.314 -2.854) 9.861 8.267 ( 6.634 -10.137 8.966) 15.072 8.473 ( -7.675 -14.679 -1.971) 16.681 8.639 ( -1.968 1.508 3.723) 4.473 8.703 ( -3.632 0.083 -4.562) 5.832 9.021 ( 2.184 1.339 5.081) 5.690 9.148 ( -4.635 -0.644 -5.079) 6.906 9.298 ( -6.320 -3.042 13.349) 15.080 9.381 ( 4.538 -5.133 -12.836) 14.551 10.171 ( -4.882 -3.893 2.105) 6.590 10.252 ( -10.584 -6.340 -3.027) 12.704 10.705 ( 3.654 1.905 1.639) 4.435 10.769 ( -0.395 0.925 -3.282) 3.433 10.992 ( -1.764 -2.692 7.106) 7.801 11.086 ( -2.238 -3.783 -5.447) 6.999 11.324 ( -0.435 3.895 3.084) 4.987 11.382 ( -0.773 3.997 -6.268) 7.474 11.724 ( 1.575 0.731 4.366) 4.699 11.784 ( -1.784 -1.889 -1.312) 2.911 12.053 ( 5.394 6.299 -2.015) 8.534 12.137 ( -7.273 5.339 -0.594) 9.042 12.264 ( -2.772 2.589 2.908) 4.779 12.352 ( -1.682 1.346 -11.870) 12.064 12.933 ( 5.997 11.544 0.398) 13.015 13.013 ( -4.651 6.960 -0.252) 8.374 13.463 ( 3.898 1.954 3.628) 5.672 13.532 ( -1.314 -0.971 -0.834) 1.834 13.846 ( 3.528 2.037 0.993) 4.193 13.882 ( -0.465 4.370 0.103) 4.396 14.308 ( 7.112 -2.197 6.744) 10.044 14.372 ( 2.801 -0.195 1.304) 3.096 14.530 ( 0.570 6.685 2.530) 7.171 14.571 ( -2.914 5.108 0.764) 5.930 14.887 ( 4.151 1.149 12.366) 13.094 15.073 ( -1.616 -1.700 -8.156) 8.486 15.231 ( 5.105 -4.856 8.366) 10.937 15.362 ( -1.115 0.266 -2.647) 2.885 15.436 ( 0.095 -6.136 3.494) 7.062 15.537 ( 1.946 -11.843 -13.901) 18.365 15.647 ( 5.151 -9.478 4.712) 11.771 15.727 ( 0.480 -5.379 -2.764) 6.067 15.980 ( 1.295 -1.722 8.121) 8.402 16.079 ( 0.361 -4.236 -2.952) 5.176 16.312 ( 1.201 5.019 4.655) 6.950 16.388 ( 0.944 9.155 -7.197) 11.683 16.616 ( 2.185 -0.246 6.856) 7.200 16.743 ( 7.206 1.207 9.808) 12.230 16.768 ( -7.979 -1.435 -3.149) 8.698 17.034 ( -7.994 -3.248 -12.465) 15.160 17.377 ( 0.210 4.198 10.465) 11.278 17.425 ( 1.110 5.895 2.485) 6.494 17.694 ( 3.151 0.892 -4.412) 5.495 17.708 ( 2.939 1.519 -7.408) 8.113 18.229 ( 5.160 -2.567 12.652) 13.902 18.367 ( 1.594 -5.011 2.398) 5.779 18.484 ( -0.892 0.670 -6.110) 6.211 18.570 ( -3.908 0.823 -9.616) 10.413 24.912 ( 2.094 1.530 0.313) 2.612 24.939 ( -1.009 1.758 -0.101) 2.029 25.176 ( 6.038 -2.282 -2.270) 6.842 25.232 ( -4.967 -2.829 2.682) 6.315 26.350 ( 6.389 0.628 -2.373) 6.844 26.403 ( -0.468 -1.001 -0.280) 1.140 26.458 ( 2.155 1.213 -2.351) 3.412 26.497 ( -5.185 -0.142 3.331) 6.164 26.914 ( 3.760 3.970 1.328) 5.627 26.998 ( -3.300 2.219 -3.809) 5.507 27.289 ( 1.243 -2.381 1.308) 2.987 27.346 ( 0.005 -4.056 -6.752) 7.877 28.179 ( 12.601 3.815 -0.173) 13.167 28.345 ( -10.898 1.296 4.084) 11.710 28.823 ( 12.911 1.011 3.285) 13.360 29.068 ( -15.401 -3.748 -0.001) 15.851 ======================= Grid point 288 (153/159) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 133 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 1.555 -4.266 -24.148) 24.571 3.249 ( -1.555 -4.266 24.148) 24.571 3.382 ( -0.053 -10.002 -13.749) 17.003 3.382 ( 0.053 -10.002 13.749) 17.003 3.770 ( -0.472 1.431 -11.645) 11.742 3.770 ( 0.472 1.431 11.645) 11.742 4.407 ( -0.076 -2.467 -6.353) 6.816 4.407 ( 0.076 -2.467 6.353) 6.816 5.517 ( 1.908 14.349 -1.435) 14.546 5.517 ( -1.908 14.349 1.435) 14.546 5.878 ( -3.362 -2.929 -8.758) 9.827 5.878 ( 3.362 -2.929 8.758) 9.827 6.166 ( 3.671 12.281 -17.275) 21.511 6.166 ( -3.671 12.281 17.275) 21.511 6.448 ( 5.011 -13.555 -9.135) 17.096 6.448 ( -5.011 -13.555 9.135) 17.096 7.286 ( 5.663 6.786 -8.799) 12.472 7.286 ( -5.663 6.786 8.799) 12.472 7.435 ( 9.900 -6.903 -12.137) 17.116 7.435 ( -9.900 -6.903 12.137) 17.116 7.734 ( -1.503 3.756 -2.855) 4.952 7.734 ( 1.503 3.756 2.855) 4.952 8.338 ( -14.161 5.452 -3.915) 15.671 8.338 ( 14.161 5.452 3.915) 15.671 8.622 ( -10.850 -6.953 -3.412) 13.330 8.622 ( 10.850 -6.953 3.412) 13.330 9.051 ( -4.291 6.297 -0.794) 7.661 9.051 ( 4.291 6.297 0.794) 7.661 9.204 ( -1.338 -7.397 -0.998) 7.583 9.204 ( 1.338 -7.397 0.998) 7.583 9.793 ( -1.149 -4.718 -0.548) 4.887 9.793 ( 1.149 -4.718 0.548) 4.887 10.344 ( -1.238 4.187 -0.098) 4.367 10.344 ( 1.238 4.187 0.098) 4.367 10.973 ( -2.141 1.758 -2.509) 3.738 10.973 ( 2.141 1.758 2.509) 3.738 11.174 ( -2.920 0.909 -2.050) 3.681 11.174 ( 2.920 0.909 2.050) 3.681 11.528 ( 0.563 -2.163 -1.582) 2.738 11.528 ( -0.563 -2.163 1.582) 2.738 11.732 ( -18.682 2.070 0.668) 18.809 11.732 ( 18.682 2.070 -0.668) 18.809 11.817 ( -11.841 -6.133 -1.491) 13.418 11.817 ( 11.841 -6.133 1.491) 13.418 12.285 ( -6.501 5.406 -4.996) 9.820 12.285 ( 6.501 5.406 4.996) 9.820 12.432 ( -3.780 -2.254 -0.272) 4.409 12.432 ( 3.780 -2.254 0.272) 4.409 12.996 ( -3.501 -0.973 -1.988) 4.142 12.996 ( 3.501 -0.973 1.988) 4.142 13.630 ( -1.238 2.110 -0.627) 2.526 13.630 ( 1.238 2.110 0.627) 2.526 13.903 ( -1.661 2.015 -0.927) 2.771 13.903 ( 1.661 2.015 0.927) 2.771 14.195 ( 0.406 -5.523 -4.728) 7.282 14.195 ( -0.406 -5.523 4.728) 7.282 14.486 ( -1.744 7.683 -0.644) 7.905 14.486 ( 1.744 7.683 0.644) 7.905 14.638 ( -1.070 -6.325 -1.973) 6.711 14.638 ( 1.070 -6.325 1.973) 6.711 15.020 ( 0.497 0.094 -0.981) 1.103 15.020 ( -0.497 0.094 0.981) 1.103 15.361 ( -0.025 -2.506 -2.436) 3.495 15.361 ( 0.025 -2.506 2.436) 3.495 15.517 ( -1.449 -2.689 -3.128) 4.372 15.517 ( 1.449 -2.689 3.128) 4.372 16.287 ( -2.759 2.739 0.128) 3.890 16.287 ( 2.759 2.739 -0.128) 3.890 16.629 ( -0.214 2.213 -1.786) 2.852 16.629 ( 0.214 2.213 1.786) 2.852 16.720 ( -2.482 6.932 -2.645) 7.824 16.720 ( 2.482 6.932 2.645) 7.824 17.249 ( -8.311 2.484 -2.581) 9.050 17.249 ( 8.311 2.484 2.581) 9.050 17.379 ( -7.136 -9.012 -4.889) 12.491 17.379 ( 7.136 -9.012 4.889) 12.491 18.631 ( -2.586 2.826 -1.426) 4.088 18.631 ( 2.586 2.826 1.426) 4.088 19.055 ( -1.283 -2.060 -1.455) 2.830 19.055 ( 1.283 -2.060 1.455) 2.830 24.783 ( 0.016 1.292 -1.160) 1.736 24.783 ( -0.016 1.292 1.160) 1.736 25.021 ( -0.080 -1.251 -2.204) 2.535 25.021 ( 0.080 -1.251 2.204) 2.536 25.969 ( 0.530 0.060 -1.042) 1.171 25.969 ( -0.530 0.060 1.042) 1.171 26.392 ( -0.676 -0.444 -0.821) 1.153 26.392 ( 0.676 -0.444 0.821) 1.153 26.713 ( -4.918 5.635 -1.387) 7.607 26.713 ( 4.918 5.635 1.387) 7.607 26.987 ( -2.984 -7.900 -1.733) 8.621 26.987 ( 2.984 -7.900 1.733) 8.621 28.748 ( 1.005 9.417 -18.436) 20.726 28.748 ( -1.005 9.417 18.436) 20.726 28.964 ( -1.629 -6.665 -19.900) 21.050 28.964 ( 1.629 -6.665 19.900) 21.050 ======================= Grid point 290 (154/159) ======================= q-point: ( 0.08 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 9.073 5.448 -30.399) 32.189 3.176 ( 8.938 -14.355 -22.107) 27.833 3.422 ( 5.336 3.052 -20.451) 21.355 3.504 ( -1.952 -5.830 5.556) 8.287 3.784 ( 5.464 -3.071 13.809) 15.165 3.906 ( 6.455 -12.398 4.656) 14.732 4.463 ( -2.237 5.624 20.777) 21.640 4.553 ( -2.162 -3.363 19.117) 19.531 5.384 ( -7.606 19.070 -10.003) 22.838 5.478 ( 7.165 18.562 -16.670) 25.957 5.692 ( -5.923 -8.697 -5.814) 12.022 5.877 ( 0.621 -15.696 -13.746) 20.873 5.944 ( 3.033 16.565 -24.837) 30.008 6.131 ( -8.145 4.317 -6.856) 11.488 6.406 ( -2.747 -6.235 -0.475) 6.830 6.497 ( -1.931 -13.691 -0.324) 13.830 7.062 ( -14.962 11.153 -10.052) 21.197 7.204 ( -15.738 3.546 -1.198) 16.177 7.315 ( -9.917 -5.263 4.053) 11.936 7.446 ( 2.551 -10.340 -3.816) 11.313 7.668 ( -6.112 6.116 0.345) 8.653 7.768 ( -3.686 -2.352 2.272) 4.928 8.084 ( -14.388 13.988 2.846) 20.267 8.403 ( -6.431 -16.856 2.704) 18.243 8.672 ( 4.912 10.742 6.583) 13.523 8.829 ( -2.595 -4.410 1.616) 5.366 8.954 ( 2.141 6.715 3.030) 7.672 9.037 ( -5.403 3.304 3.543) 7.257 9.195 ( 0.784 -7.407 3.928) 8.421 9.263 ( 5.215 -7.009 -2.367) 9.051 9.854 ( 8.200 2.975 1.801) 8.907 9.970 ( 14.967 -8.876 -0.994) 17.429 10.252 ( -8.060 5.567 -0.988) 9.845 10.297 ( -5.415 1.000 -1.992) 5.856 10.886 ( -2.307 5.761 -1.213) 6.323 10.943 ( -1.786 -1.476 -2.509) 3.415 11.272 ( 1.521 4.415 5.549) 7.253 11.305 ( -4.108 1.284 10.046) 10.929 11.436 ( -8.941 -1.266 4.423) 10.056 11.501 ( 0.336 -5.006 5.865) 7.718 11.576 ( -1.177 1.550 -1.048) 2.211 11.655 ( -5.302 -7.396 -0.907) 9.145 11.956 ( 3.170 2.508 -0.687) 4.100 11.996 ( 7.362 -2.299 -2.015) 7.971 12.166 ( 4.524 7.081 -0.850) 8.445 12.280 ( -0.249 -4.287 -2.248) 4.847 12.545 ( 7.230 2.121 -0.731) 7.570 12.614 ( 14.160 -2.907 4.842) 15.245 12.932 ( -2.377 4.103 2.650) 5.432 13.082 ( 1.546 -9.801 5.859) 11.523 13.629 ( 4.010 9.004 3.017) 10.308 13.695 ( 5.286 2.010 -1.330) 5.810 13.878 ( 1.038 -0.879 -1.375) 1.934 13.911 ( -0.660 -3.435 -1.817) 3.942 14.117 ( -2.993 1.797 -0.447) 3.520 14.186 ( -5.652 -3.647 4.499) 8.092 14.546 ( 5.746 7.807 0.724) 9.721 14.619 ( 6.433 3.203 3.836) 8.146 14.726 ( 11.860 -2.233 3.682) 12.617 14.795 ( 12.837 -6.045 1.005) 14.224 14.992 ( -0.009 1.528 -1.427) 2.090 15.035 ( 3.116 -4.283 -2.306) 5.777 15.238 ( -3.435 -0.929 -9.029) 9.705 15.272 ( -3.711 -4.965 -6.612) 9.063 15.526 ( 0.842 2.218 1.442) 2.776 15.606 ( 2.098 -5.817 3.916) 7.319 16.212 ( -7.433 6.126 1.118) 9.697 16.284 ( -4.590 -1.026 1.968) 5.099 16.498 ( -8.097 4.111 -1.260) 9.168 16.536 ( -6.024 0.610 1.964) 6.366 16.858 ( 10.821 11.387 0.328) 15.713 16.906 ( 12.290 3.035 2.137) 12.838 17.097 ( -6.355 -0.098 -1.195) 6.467 17.221 ( -3.245 -9.939 -4.698) 11.463 17.381 ( 5.474 3.813 0.582) 6.696 17.516 ( 4.442 -8.863 1.487) 10.025 18.557 ( -2.869 7.783 -3.488) 8.998 18.670 ( 2.267 -3.240 -1.177) 4.125 18.982 ( -6.303 2.617 -1.207) 6.930 19.071 ( -2.149 -5.374 1.560) 5.994 24.777 ( 2.142 2.064 -2.519) 3.898 24.802 ( 2.129 -0.234 -0.906) 2.326 25.013 ( 1.643 1.640 -1.164) 2.597 25.065 ( 1.632 -3.436 2.480) 4.541 25.997 ( 3.933 0.513 -0.203) 3.971 26.006 ( 3.045 -0.503 1.840) 3.594 26.429 ( 4.744 1.574 0.838) 5.068 26.469 ( 5.925 -2.710 1.775) 6.753 26.637 ( -1.829 8.321 -1.490) 8.649 26.799 ( 4.502 -5.274 -0.743) 6.974 26.969 ( 3.562 0.734 0.500) 3.671 27.083 ( 6.664 -7.922 1.520) 10.463 28.475 ( -3.100 6.858 -21.545) 22.822 28.601 ( -4.871 -6.052 -22.892) 24.174 28.976 ( -6.197 14.769 19.867) 25.519 29.211 ( -3.881 -10.110 21.667) 24.222 ======================= Grid point 291 (155/159) ======================= q-point: ( 0.15 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 17.468 16.045 -23.970) 33.722 3.058 ( 13.926 2.902 -25.351) 29.069 3.338 ( 19.648 -12.553 -20.365) 30.957 3.411 ( 4.743 -13.349 -17.303) 22.363 4.050 ( 4.078 -2.157 12.859) 13.662 4.085 ( 1.848 -5.765 12.750) 14.114 4.764 ( 2.052 3.610 19.981) 20.408 4.795 ( 3.993 2.199 16.897) 17.501 5.093 ( -10.877 23.293 -10.609) 27.811 5.391 ( 8.662 12.454 -16.329) 22.288 5.504 ( -17.865 -8.777 1.740) 19.981 5.631 ( -9.342 2.326 -11.193) 14.764 5.738 ( 11.035 -2.300 -26.263) 28.580 5.910 ( -0.476 3.778 -12.459) 13.028 6.246 ( -8.550 -10.379 -12.034) 18.045 6.302 ( -0.051 -21.199 -21.308) 30.057 6.749 ( -16.669 11.220 -1.275) 20.133 6.867 ( -19.587 0.608 -2.931) 19.814 7.214 ( -10.611 0.832 1.379) 10.733 7.374 ( -8.395 -9.604 -3.654) 13.269 7.520 ( -10.963 4.679 -2.897) 12.267 7.652 ( -8.182 -8.095 -4.561) 12.380 7.978 ( -8.263 18.548 7.111) 21.515 8.349 ( -6.445 -19.067 4.926) 20.721 8.672 ( -10.090 3.594 2.682) 11.041 8.717 ( -8.019 -0.572 2.157) 8.324 8.971 ( -6.238 12.831 -0.155) 14.268 9.102 ( 0.614 1.649 6.130) 6.378 9.191 ( -2.767 -2.991 -1.326) 4.285 9.365 ( 1.609 -12.393 2.419) 12.729 9.910 ( -6.533 3.751 -3.003) 8.110 9.969 ( -12.621 -1.613 -4.975) 13.662 10.246 ( 11.885 4.965 -3.263) 13.288 10.286 ( 14.105 -0.535 -1.858) 14.237 10.880 ( -0.115 4.054 2.986) 5.036 10.918 ( 1.038 0.632 -1.593) 2.003 11.222 ( -12.176 3.361 10.108) 16.177 11.309 ( -8.180 -4.794 14.154) 17.036 11.500 ( -8.442 4.588 0.113) 9.609 11.537 ( 6.746 5.962 1.924) 9.206 11.581 ( -4.018 -3.478 4.657) 7.066 11.695 ( 7.669 -8.704 1.834) 11.745 11.964 ( 3.593 5.516 1.104) 6.675 12.088 ( 7.882 -7.028 3.935) 11.269 12.251 ( 1.849 4.723 1.418) 5.267 12.320 ( 5.735 -3.111 0.623) 6.554 12.583 ( 1.954 5.222 -2.662) 6.179 12.764 ( 2.064 -11.989 -0.793) 12.191 13.108 ( 13.148 3.370 8.998) 16.284 13.221 ( 5.182 -8.035 9.241) 13.297 13.713 ( 1.894 8.710 -4.412) 9.946 13.802 ( -2.418 4.677 -0.136) 5.267 13.867 ( 9.456 -0.482 2.549) 9.806 13.951 ( 4.908 -2.371 -0.437) 5.469 14.126 ( 5.765 3.455 1.836) 6.968 14.212 ( 3.336 -4.035 6.784) 8.569 14.591 ( -3.472 8.197 -2.911) 9.366 14.655 ( -0.965 3.546 -1.360) 3.918 14.886 ( 3.646 0.293 -2.054) 4.195 14.976 ( 4.439 -8.742 -1.943) 9.995 15.005 ( 4.614 2.696 -1.535) 5.560 15.108 ( 8.759 -8.685 -3.521) 12.828 15.196 ( 12.335 1.943 2.335) 12.703 15.248 ( 6.955 -3.681 3.738) 8.712 15.545 ( 0.238 3.855 0.839) 3.952 15.658 ( 0.041 -6.178 2.367) 6.616 16.125 ( -4.308 5.635 1.786) 7.314 16.219 ( -6.785 -3.982 3.433) 8.584 16.399 ( -3.570 5.551 0.845) 6.654 16.489 ( -3.316 -3.973 0.881) 5.249 16.950 ( 0.380 13.260 2.828) 13.563 17.066 ( -0.170 0.249 3.431) 3.444 17.137 ( 13.114 0.525 1.822) 13.250 17.229 ( 9.738 -6.586 -2.507) 12.021 17.427 ( 2.299 2.169 -2.385) 3.959 17.546 ( 0.535 -8.377 -2.219) 8.682 18.463 ( -2.413 10.360 -5.320) 11.893 18.660 ( -1.162 -10.579 -4.370) 11.505 18.833 ( -6.967 10.895 -4.199) 13.597 19.021 ( -5.277 -8.222 -0.225) 9.773 24.787 ( 3.416 2.146 -2.965) 5.006 24.824 ( 3.389 -1.535 -2.426) 4.442 25.038 ( 2.248 3.912 0.066) 4.512 25.122 ( 1.771 -4.630 2.367) 5.493 26.077 ( 6.348 1.084 0.006) 6.439 26.101 ( 5.631 -1.321 2.269) 6.213 26.504 ( 3.012 1.572 -1.612) 3.760 26.528 ( 1.020 -0.329 -1.271) 1.663 26.680 ( 7.182 5.782 0.983) 9.272 26.852 ( 6.241 -11.479 -1.683) 13.174 27.126 ( 11.460 6.024 4.824) 13.817 27.239 ( 10.733 -5.863 2.764) 12.539 28.154 ( -4.578 3.750 -20.968) 21.787 28.240 ( -5.186 -4.857 -22.433) 23.531 29.076 ( -11.304 17.787 18.579) 28.095 29.353 ( -9.944 -11.801 19.226) 24.653 ======================= Grid point 292 (156/159) ======================= q-point: ( 0.23 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 24.555 18.776 -15.324) 34.501 3.080 ( 23.642 9.105 -18.554) 31.402 3.328 ( 10.918 -8.637 -14.865) 20.366 3.486 ( 24.869 -20.523 -15.438) 35.749 4.202 ( 0.976 2.494 7.342) 7.815 4.248 ( 3.845 -3.882 5.312) 7.620 4.710 ( -24.998 20.008 1.032) 32.036 4.805 ( -1.653 22.067 -9.612) 24.126 5.043 ( -7.321 -13.848 9.049) 18.090 5.255 ( -13.701 -18.540 1.507) 23.103 5.359 ( 6.718 6.421 -9.970) 13.629 5.460 ( 5.026 8.692 -9.259) 13.658 5.645 ( 13.372 8.721 -19.156) 24.936 5.851 ( 3.412 8.508 -1.559) 9.298 6.057 ( 3.523 -8.088 -6.033) 10.687 6.162 ( 10.758 -25.095 -14.766) 31.040 6.485 ( -17.894 0.934 0.796) 17.936 6.530 ( -19.806 -3.916 -0.151) 20.190 6.978 ( -17.125 2.084 -4.347) 17.791 7.117 ( -15.252 -8.732 -3.833) 17.988 7.289 ( -10.844 6.387 -5.817) 13.865 7.463 ( -6.185 -10.821 -7.568) 14.582 7.947 ( -4.660 18.482 2.221) 19.189 8.297 ( -5.272 -15.208 -2.954) 16.365 8.467 ( -16.490 6.724 -0.815) 17.827 8.603 ( -12.518 -5.839 1.090) 13.856 8.860 ( -6.905 8.769 1.124) 11.217 9.044 ( -8.411 -9.961 -1.056) 13.079 9.127 ( -5.781 6.882 -0.313) 8.993 9.293 ( -11.457 -8.539 2.102) 14.443 9.678 ( -10.446 1.304 -10.601) 14.940 9.702 ( -7.202 -0.614 -7.233) 10.226 10.415 ( 12.779 6.713 -4.689) 15.177 10.505 ( 15.953 -1.733 -5.047) 16.822 10.874 ( -7.047 1.835 5.265) 8.986 10.942 ( -5.329 -2.904 8.961) 10.823 11.185 ( -10.923 7.651 8.181) 15.645 11.262 ( -15.664 1.206 3.773) 16.157 11.427 ( -1.217 4.458 3.733) 5.941 11.538 ( -1.739 -5.758 2.512) 6.518 11.711 ( 5.630 5.029 5.297) 9.222 11.791 ( 2.830 -3.926 -0.590) 4.875 12.036 ( 3.335 8.488 1.005) 9.175 12.247 ( 6.397 -10.905 0.160) 12.644 12.354 ( 4.251 5.085 7.473) 9.988 12.452 ( 6.912 -5.014 3.893) 9.384 12.687 ( 9.192 0.165 7.810) 12.063 12.776 ( 2.601 -8.525 1.858) 9.105 13.352 ( 0.385 0.825 4.611) 4.700 13.384 ( 4.141 -3.241 4.930) 7.208 13.681 ( 2.819 6.895 -5.338) 9.164 13.747 ( 1.617 0.029 -1.277) 2.061 13.945 ( -0.762 4.550 -2.153) 5.091 13.990 ( 6.821 -1.602 0.790) 7.051 14.301 ( 4.848 9.850 -0.730) 11.003 14.427 ( 4.699 5.214 0.903) 7.077 14.465 ( 4.862 -2.388 1.890) 5.737 14.633 ( -0.298 -12.642 0.820) 12.672 14.937 ( 7.687 6.457 2.213) 10.280 15.021 ( 6.797 -0.956 -0.691) 6.898 15.110 ( 8.631 1.387 1.864) 8.939 15.193 ( 7.795 -5.882 -1.817) 9.933 15.412 ( 2.083 3.745 5.198) 6.737 15.494 ( 8.055 -5.489 8.027) 12.628 15.578 ( 5.567 2.653 0.852) 6.225 15.698 ( 2.196 -6.001 3.579) 7.324 16.146 ( 0.756 1.294 3.801) 4.086 16.181 ( -2.394 -2.467 3.057) 4.601 16.431 ( 1.507 2.455 7.853) 8.365 16.483 ( 1.676 -3.110 3.311) 4.842 17.014 ( 1.353 10.303 5.099) 11.575 17.093 ( -0.857 1.519 0.592) 1.842 17.343 ( 3.857 -0.443 0.126) 3.884 17.356 ( 9.228 -0.455 1.724) 9.399 17.433 ( 4.945 -0.938 -3.671) 6.229 17.526 ( 5.908 -8.032 -3.952) 10.725 18.345 ( -3.097 7.728 -7.564) 11.248 18.461 ( -10.901 -1.615 -9.535) 14.572 18.745 ( 1.677 5.806 -5.718) 8.319 18.920 ( -4.409 -8.946 -3.135) 10.455 24.811 ( 3.972 2.019 -2.472) 5.096 24.851 ( 4.047 -2.062 -2.462) 5.166 25.075 ( 1.764 4.720 0.609) 5.075 25.170 ( 0.653 -5.010 2.176) 5.501 26.179 ( 6.920 1.896 -0.743) 7.213 26.221 ( 6.233 -2.425 1.669) 6.893 26.491 ( 1.297 0.972 -3.200) 3.587 26.510 ( 1.225 -0.912 -4.516) 4.767 26.801 ( 6.789 6.542 0.217) 9.431 26.947 ( 6.674 -8.786 -0.751) 11.059 27.388 ( 11.699 4.602 5.355) 13.665 27.473 ( 12.097 -4.383 3.707) 13.390 27.853 ( -2.558 3.218 -17.122) 17.608 27.942 ( -0.002 -5.544 -17.297) 18.163 29.080 ( -14.467 18.284 15.332) 27.904 29.370 ( -14.453 -12.632 15.089) 24.416 ======================= Grid point 293 (157/159) ======================= q-point: ( 0.31 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 24.931 9.299 -7.222) 27.572 3.281 ( 16.604 3.041 -5.335) 17.703 3.382 ( 16.406 10.493 -9.153) 21.518 3.671 ( 19.527 -15.790 -12.357) 27.988 4.227 ( -7.817 3.735 4.523) 9.773 4.342 ( 4.597 -8.669 -1.061) 9.869 4.406 ( -8.764 17.254 1.036) 19.380 4.680 ( -6.604 7.037 0.628) 9.671 4.878 ( -1.927 -3.298 -4.364) 5.799 5.221 ( -1.375 -19.475 0.454) 19.529 5.303 ( 5.063 10.056 -15.403) 19.080 5.401 ( 1.464 9.234 -13.155) 16.139 5.625 ( 2.936 15.841 -8.989) 18.449 5.894 ( 4.280 9.774 -3.653) 11.278 6.129 ( -7.404 5.527 2.659) 9.615 6.150 ( -2.789 -13.051 -0.266) 13.348 6.220 ( -7.388 -17.212 0.567) 18.739 6.346 ( -3.636 -19.161 -2.492) 19.662 6.770 ( -3.706 5.948 6.826) 9.783 6.929 ( -6.200 -10.502 3.280) 12.629 7.056 ( -8.127 8.933 -8.330) 14.671 7.276 ( -5.426 -13.041 -8.769) 16.625 7.860 ( -2.998 13.890 -7.778) 16.199 7.953 ( -15.295 7.230 -20.317) 26.438 8.269 ( -14.620 -5.972 -4.634) 16.459 8.346 ( -14.066 -12.612 3.486) 19.211 8.797 ( -8.145 5.745 7.036) 12.201 8.920 ( -8.059 -6.499 2.896) 10.750 9.035 ( -5.438 6.548 2.700) 8.930 9.184 ( -2.025 -9.404 -1.700) 9.769 9.408 ( -7.888 4.472 -11.050) 14.294 9.531 ( -4.226 -5.466 -7.996) 10.568 10.488 ( 2.744 3.506 -4.648) 6.437 10.578 ( 2.175 -6.176 -8.075) 10.396 10.822 ( -8.977 7.104 4.957) 12.475 10.920 ( -11.525 -1.144 7.410) 13.750 11.039 ( -12.236 4.373 5.430) 14.083 11.093 ( -11.371 -0.987 5.969) 12.880 11.443 ( -0.222 5.374 -0.012) 5.378 11.552 ( 0.956 -5.171 -1.232) 5.401 11.754 ( -2.972 0.873 -3.185) 4.443 11.778 ( -0.584 -2.415 -1.155) 2.740 12.112 ( 4.349 11.428 0.559) 12.241 12.336 ( 5.136 -7.176 -1.698) 8.986 12.465 ( -0.878 2.588 4.173) 4.988 12.558 ( -1.439 -5.560 1.089) 5.845 12.844 ( 8.225 10.076 5.687) 14.196 13.010 ( 6.671 -5.678 7.634) 11.620 13.359 ( 0.671 2.368 5.225) 5.776 13.456 ( 1.955 -4.933 2.482) 5.858 13.655 ( 4.856 3.182 -3.777) 6.926 13.730 ( 2.058 -3.263 -6.733) 7.760 14.023 ( 5.624 12.225 7.613) 15.461 14.180 ( 5.998 -4.142 4.323) 8.475 14.342 ( 6.584 8.904 6.351) 12.766 14.442 ( 0.808 4.415 2.952) 5.372 14.645 ( 5.103 -4.373 1.964) 7.002 14.681 ( 6.443 -14.962 2.000) 16.413 15.073 ( 4.118 6.529 2.101) 8.000 15.129 ( 6.637 1.332 -0.865) 6.825 15.309 ( 12.457 1.805 1.420) 12.667 15.368 ( 12.817 -1.784 -2.182) 13.123 15.435 ( -2.215 -1.977 4.571) 5.451 15.532 ( 0.135 -7.997 -2.034) 8.253 15.771 ( 7.020 0.848 6.507) 9.610 15.805 ( 3.502 -2.802 4.595) 6.421 16.191 ( -0.770 0.425 7.591) 7.642 16.217 ( -0.409 -2.751 3.864) 4.761 16.628 ( 5.850 2.137 10.755) 12.429 16.642 ( 6.109 -0.139 10.382) 12.047 17.005 ( -5.193 8.583 -6.389) 11.893 17.090 ( -0.873 2.234 5.434) 5.940 17.325 ( -0.742 -1.457 -6.198) 6.410 17.390 ( 2.206 -5.336 0.858) 5.837 17.591 ( 10.786 2.110 1.446) 11.085 17.650 ( 10.927 -3.974 -1.924) 11.785 18.161 ( -6.341 5.685 -10.014) 13.146 18.230 ( -4.321 -0.418 -5.266) 6.825 18.695 ( 1.555 3.697 -7.120) 8.172 18.818 ( -1.667 -6.993 -6.272) 9.540 24.850 ( 4.191 2.004 -1.434) 4.862 24.892 ( 4.285 -2.145 -1.465) 5.010 25.104 ( 1.021 4.341 0.483) 4.486 25.193 ( -0.879 -4.845 1.998) 5.314 26.260 ( 5.946 2.303 -2.609) 6.890 26.311 ( 4.786 -3.072 -1.545) 5.893 26.484 ( 2.457 0.530 -2.409) 3.481 26.492 ( 2.050 -0.272 -1.951) 2.843 26.891 ( 4.882 6.998 0.004) 8.533 27.022 ( 4.164 -6.647 -0.862) 7.891 27.454 ( -0.826 2.611 -10.369) 10.725 27.504 ( -0.429 -3.128 -10.820) 11.271 27.845 ( 11.413 4.110 2.424) 12.370 27.951 ( 13.220 -6.363 1.629) 14.762 29.011 ( -14.591 16.569 11.024) 24.677 29.284 ( -15.936 -12.236 10.046) 22.463 ======================= Grid point 294 (158/159) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( -1.343 5.734 3.552) 6.877 3.421 ( 4.990 -1.769 2.180) 5.725 3.659 ( 23.303 8.429 -2.991) 24.961 3.804 ( 14.347 -6.390 -7.827) 17.547 4.198 ( 4.192 12.108 1.058) 12.857 4.372 ( 6.363 2.777 -2.977) 7.554 4.486 ( 12.675 -3.153 -2.455) 13.290 4.661 ( 1.983 -5.382 1.022) 5.826 4.865 ( -0.186 14.247 -0.303) 14.252 5.122 ( -8.669 8.590 -8.804) 15.048 5.160 ( -3.375 4.789 -5.128) 7.786 5.218 ( -5.818 -10.320 -6.163) 13.355 5.513 ( -7.770 4.706 -3.889) 9.882 5.785 ( -12.459 -14.519 -6.401) 20.174 5.919 ( -10.817 1.977 2.164) 11.207 5.999 ( -9.522 -3.417 4.779) 11.189 6.326 ( 14.576 6.362 2.893) 16.165 6.494 ( 11.261 -7.935 -0.667) 13.792 6.771 ( -5.730 7.989 -10.126) 14.114 6.900 ( -0.461 1.921 2.026) 2.830 6.981 ( -1.158 -6.743 3.788) 7.821 7.099 ( -3.673 -9.708 -3.327) 10.900 7.487 ( -9.561 4.925 -19.678) 22.426 7.645 ( -4.604 -7.833 -17.358) 19.592 8.073 ( -4.834 4.512 6.026) 8.946 8.261 ( -4.678 -12.877 3.592) 14.163 8.766 ( -8.485 7.459 9.251) 14.602 8.886 ( -1.829 -1.271 3.951) 4.536 9.039 ( -3.590 1.758 7.982) 8.928 9.133 ( -0.871 2.305 -13.176) 13.404 9.184 ( -3.244 -6.252 -2.721) 7.551 9.355 ( -5.336 -9.791 -8.948) 14.297 10.343 ( -14.109 1.237 -2.456) 14.374 10.394 ( -14.547 -4.901 -3.429) 15.728 10.742 ( -0.431 5.801 -2.127) 6.194 10.821 ( -3.918 -1.819 -1.214) 4.487 10.988 ( -5.571 3.312 5.482) 8.488 11.062 ( -4.606 -3.954 4.755) 7.711 11.423 ( -0.580 5.623 -1.827) 5.940 11.514 ( -0.137 -3.087 -6.509) 7.205 11.688 ( -2.298 1.657 2.159) 3.563 11.735 ( -2.937 -3.881 1.236) 5.021 12.171 ( 2.919 11.407 -0.330) 11.779 12.335 ( -2.573 -2.325 -3.659) 5.042 12.407 ( -3.232 3.809 -3.174) 5.919 12.471 ( -3.499 -4.677 -3.956) 7.055 13.006 ( 2.377 5.524 1.358) 6.166 13.070 ( 0.187 -2.451 -2.021) 3.182 13.470 ( 3.582 8.481 6.632) 11.347 13.524 ( 2.954 2.385 0.546) 3.835 13.754 ( 8.449 1.027 0.710) 8.541 13.898 ( 14.328 -10.485 11.877) 21.361 14.126 ( -0.689 15.416 2.657) 15.658 14.284 ( 3.111 -1.267 3.537) 4.878 14.508 ( 1.468 5.948 7.164) 9.427 14.619 ( 5.239 -2.506 14.442) 15.566 14.719 ( 3.335 1.334 2.169) 4.196 14.855 ( 7.721 -12.072 5.349) 15.296 15.172 ( 5.910 -0.647 2.793) 6.568 15.203 ( 6.424 4.485 -2.371) 8.186 15.324 ( -1.507 -4.137 -7.835) 8.987 15.427 ( 4.493 -9.398 -11.945) 15.849 15.487 ( 5.430 2.449 0.258) 5.963 15.594 ( 3.179 -7.205 1.965) 8.117 15.901 ( 1.484 1.750 5.541) 5.997 15.943 ( 4.115 -2.050 6.682) 8.110 16.285 ( 0.794 2.077 8.065) 8.365 16.337 ( 3.467 -2.833 12.419) 13.202 16.708 ( -1.917 5.471 -4.980) 7.642 16.783 ( -1.512 -2.071 -1.729) 3.093 16.876 ( -1.978 11.191 0.495) 11.375 17.078 ( -2.754 -9.062 -3.200) 9.997 17.331 ( 1.557 6.262 7.534) 9.920 17.433 ( 1.135 -3.611 3.220) 4.970 17.708 ( 6.756 2.850 -5.074) 8.917 17.756 ( 6.881 -1.771 -6.270) 9.476 18.058 ( 1.754 5.573 2.323) 6.288 18.181 ( 0.259 -6.581 2.540) 7.058 18.617 ( 0.142 3.670 -7.964) 8.770 18.703 ( -1.680 -4.406 -8.873) 10.048 24.902 ( 3.917 2.208 -0.610) 4.537 24.942 ( 3.213 -1.502 -0.334) 3.562 25.121 ( 1.046 2.675 -0.099) 2.873 25.192 ( -2.249 -4.323 1.806) 5.197 26.310 ( 5.651 1.768 -3.136) 6.701 26.347 ( 4.818 -2.118 -3.484) 6.312 26.498 ( 0.382 0.703 -0.580) 0.988 26.506 ( -0.410 -0.250 1.266) 1.354 26.955 ( 3.246 6.303 0.281) 7.095 27.053 ( 1.313 -3.756 -1.036) 4.111 27.304 ( -0.612 1.511 -8.812) 8.962 27.358 ( -0.103 -4.432 -10.739) 11.618 28.073 ( 11.349 6.257 4.003) 13.564 28.201 ( 10.633 -7.028 5.063) 13.714 28.914 ( -10.867 13.072 6.399) 18.163 29.136 ( -14.588 -10.349 5.162) 18.617 ======================= Grid point 295 (159/159) ======================= q-point: ( 0.46 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 2.244 2.024 3.625) 4.720 3.451 ( -5.387 -4.458 4.825) 8.495 3.898 ( 7.494 1.570 -0.394) 7.667 3.904 ( 8.469 0.770 -5.817) 10.303 4.339 ( 11.268 14.261 -2.274) 18.317 4.417 ( 1.159 7.681 -1.072) 7.842 4.650 ( 11.800 1.648 -5.497) 13.121 4.705 ( -2.794 5.011 2.825) 6.395 4.889 ( 1.949 9.336 5.462) 10.990 4.937 ( -2.911 4.426 -3.825) 6.534 5.037 ( 0.131 -2.979 -2.163) 3.683 5.145 ( -2.469 1.115 1.478) 3.086 5.290 ( -11.855 -11.429 -1.835) 16.569 5.415 ( -16.706 -15.585 -7.506) 24.048 6.009 ( 4.159 3.330 9.152) 10.591 6.036 ( 0.381 1.067 9.349) 9.418 6.412 ( -1.017 2.399 -8.416) 8.810 6.460 ( -6.141 -1.638 -10.084) 11.920 6.677 ( 8.306 14.901 -0.660) 17.073 6.822 ( -5.421 7.795 -5.282) 10.866 7.019 ( 3.846 -3.301 6.062) 7.902 7.148 ( 0.108 5.311 0.534) 5.339 7.241 ( 1.414 -20.109 -4.342) 20.621 7.400 ( -4.647 -18.233 -11.479) 22.041 8.182 ( 3.370 1.903 8.125) 9.000 8.266 ( -0.982 -6.570 0.958) 6.712 8.774 ( -4.145 11.203 8.976) 14.942 8.876 ( -1.621 13.455 -8.939) 16.235 8.985 ( -0.151 -6.599 3.661) 7.548 9.071 ( -2.590 -3.358 0.975) 4.351 9.163 ( 0.787 -8.545 -2.543) 8.950 9.185 ( -2.305 -13.336 -4.754) 14.345 10.129 ( -7.305 -0.614 -0.998) 7.398 10.151 ( -9.205 -3.365 -1.993) 10.002 10.748 ( 2.243 2.507 -0.307) 3.378 10.779 ( -0.939 -0.361 -0.841) 1.311 10.969 ( -2.075 0.599 2.568) 3.356 11.013 ( -2.852 -3.622 -2.475) 5.232 11.400 ( -0.381 3.363 0.284) 3.397 11.430 ( -0.957 0.527 -4.025) 4.171 11.726 ( 0.782 -0.139 3.276) 3.371 11.740 ( -0.826 -1.833 2.830) 3.472 12.176 ( -0.895 4.887 -0.269) 4.975 12.215 ( -3.816 1.067 -3.926) 5.578 12.363 ( 1.191 6.738 -0.090) 6.843 12.407 ( -0.613 2.993 -3.444) 4.604 13.011 ( 0.315 -1.443 -0.618) 1.601 13.029 ( -1.114 -3.235 -1.764) 3.850 13.554 ( 0.233 3.988 2.527) 4.728 13.560 ( 1.785 2.546 -0.797) 3.210 13.960 ( 9.812 12.252 4.198) 16.248 14.094 ( -3.838 12.889 -0.452) 13.455 14.210 ( 8.092 -7.635 6.241) 12.757 14.320 ( -1.973 -6.492 0.193) 6.788 14.639 ( 1.896 8.186 9.347) 12.569 14.744 ( -0.191 4.860 -2.902) 5.664 14.858 ( 2.265 1.461 15.152) 15.390 14.995 ( 1.603 -4.955 1.276) 5.362 15.173 ( -1.427 -7.977 -5.940) 10.047 15.212 ( 3.545 -15.359 -11.411) 19.460 15.325 ( 4.739 2.051 4.331) 6.740 15.407 ( 3.482 -0.570 -2.064) 4.088 15.518 ( 2.041 -1.891 -0.326) 2.802 15.597 ( -2.060 -6.969 -2.486) 7.680 15.985 ( 0.535 1.572 5.263) 5.519 16.023 ( -0.016 -2.328 0.946) 2.513 16.428 ( 1.763 7.037 10.621) 12.862 16.553 ( 2.036 -5.588 11.075) 12.571 16.566 ( 0.280 8.521 -9.290) 12.609 16.689 ( -1.226 -4.592 -7.508) 8.886 16.834 ( -1.312 5.247 0.493) 5.431 16.943 ( -5.015 -5.996 -8.248) 11.363 17.469 ( 0.631 4.691 9.208) 10.353 17.508 ( -0.152 1.464 4.521) 4.754 17.715 ( 2.999 1.284 -4.552) 5.601 17.729 ( 2.550 0.281 -6.865) 7.329 18.200 ( 3.701 0.334 8.495) 9.272 18.256 ( 1.929 -5.370 2.973) 6.434 18.521 ( -0.699 2.417 -5.021) 5.617 18.560 ( -2.525 -1.584 -7.761) 8.314 24.950 ( 2.717 2.129 -0.327) 3.467 24.969 ( 0.052 0.621 0.248) 0.671 25.140 ( 2.419 -0.614 -0.905) 2.655 25.170 ( -3.032 -3.211 1.488) 4.660 26.365 ( 4.903 0.931 -1.750) 5.288 26.383 ( 2.760 -1.030 -1.171) 3.170 26.479 ( -1.010 0.939 -0.563) 1.490 26.492 ( -3.346 -0.470 1.466) 3.684 27.002 ( 1.982 4.593 0.931) 5.088 27.039 ( -0.732 1.121 -1.607) 2.092 27.241 ( -0.028 -1.842 -1.258) 2.231 27.262 ( 0.704 -3.925 -5.639) 6.907 28.267 ( 8.994 4.993 1.179) 10.354 28.341 ( -0.118 -2.244 2.689) 3.504 28.872 ( 0.168 4.436 2.338) 5.017 28.974 ( -10.578 -5.816 1.050) 12.117 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/49920 10.0 4104.299 2206.537 1843.595 0.000 249.517 0.000 3/49920 20.0 1799.742 1625.520 1820.243 0.000 -36.079 0.000 3/49920 30.0 750.054 718.162 818.972 0.000 -14.139 0.000 3/49920 40.0 380.527 365.532 417.896 0.000 -5.952 0.000 3/49920 50.0 226.112 217.300 249.128 0.000 -4.344 0.000 3/49920 60.0 148.868 143.369 164.059 0.000 -3.412 0.000 3/49920 70.0 105.074 101.287 115.406 0.000 -2.732 0.000 3/49920 80.0 78.095 75.230 85.287 0.000 -2.221 0.000 3/49920 90.0 60.449 58.133 65.574 0.000 -1.829 0.000 3/49920 100.0 48.359 46.405 52.095 0.000 -1.525 0.000 3/49920 110.0 39.755 38.060 42.539 0.000 -1.286 0.000 3/49920 120.0 33.434 31.934 35.550 0.000 -1.097 0.000 3/49920 130.0 28.660 27.315 30.298 0.000 -0.945 0.000 3/49920 140.0 24.970 23.749 26.257 0.000 -0.823 0.000 3/49920 150.0 22.057 20.938 23.084 0.000 -0.723 0.000 3/49920 160.0 19.715 18.682 20.544 0.000 -0.641 0.000 3/49920 170.0 17.802 16.841 18.479 0.000 -0.573 0.000 3/49920 180.0 16.216 15.317 16.774 0.000 -0.515 0.000 3/49920 190.0 14.884 14.039 15.349 0.000 -0.467 0.000 3/49920 200.0 13.753 12.955 14.143 0.000 -0.426 0.000 3/49920 210.0 12.782 12.025 13.112 0.000 -0.390 0.000 3/49920 220.0 11.941 11.221 12.222 0.000 -0.359 0.000 3/49920 230.0 11.206 10.518 11.447 0.000 -0.333 0.000 3/49920 240.0 10.559 9.900 10.766 0.000 -0.309 0.000 3/49920 250.0 9.985 9.353 10.165 0.000 -0.288 0.000 3/49920 260.0 9.473 8.865 9.629 0.000 -0.269 0.000 3/49920 270.0 9.013 8.427 9.150 0.000 -0.253 0.000 3/49920 280.0 8.598 8.032 8.718 0.000 -0.238 0.000 3/49920 290.0 8.222 7.674 8.328 0.000 -0.224 0.000 3/49920 300.0 7.879 7.348 7.973 0.000 -0.212 0.000 3/49920 310.0 7.565 7.050 7.649 0.000 -0.201 0.000 3/49920 320.0 7.277 6.776 7.352 0.000 -0.191 0.000 3/49920 330.0 7.011 6.524 7.078 0.000 -0.182 0.000 3/49920 340.0 6.765 6.291 6.825 0.000 -0.173 0.000 3/49920 350.0 6.537 6.075 6.592 0.000 -0.165 0.000 3/49920 360.0 6.325 5.874 6.374 0.000 -0.158 0.000 3/49920 370.0 6.127 5.687 6.172 0.000 -0.151 0.000 3/49920 380.0 5.942 5.512 5.982 0.000 -0.145 0.000 3/49920 390.0 5.768 5.348 5.805 0.000 -0.139 0.000 3/49920 400.0 5.605 5.194 5.639 0.000 -0.134 0.000 3/49920 410.0 5.451 5.049 5.482 0.000 -0.129 0.000 3/49920 420.0 5.306 4.912 5.335 0.000 -0.124 0.000 3/49920 430.0 5.169 4.783 5.196 0.000 -0.120 0.000 3/49920 440.0 5.040 4.661 5.064 0.000 -0.116 0.000 3/49920 450.0 4.917 4.545 4.939 0.000 -0.112 0.000 3/49920 460.0 4.800 4.436 4.821 0.000 -0.108 0.000 3/49920 470.0 4.689 4.331 4.708 0.000 -0.105 0.000 3/49920 480.0 4.583 4.232 4.601 0.000 -0.102 0.000 3/49920 490.0 4.482 4.137 4.499 0.000 -0.099 0.000 3/49920 500.0 4.386 4.047 4.402 0.000 -0.096 0.000 3/49920 510.0 4.294 3.960 4.309 0.000 -0.093 0.000 3/49920 520.0 4.206 3.878 4.220 0.000 -0.090 0.000 3/49920 530.0 4.121 3.799 4.134 0.000 -0.088 0.000 3/49920 540.0 4.040 3.723 4.053 0.000 -0.085 0.000 3/49920 550.0 3.962 3.650 3.974 0.000 -0.083 0.000 3/49920 560.0 3.888 3.580 3.899 0.000 -0.081 0.000 3/49920 570.0 3.816 3.513 3.826 0.000 -0.079 0.000 3/49920 580.0 3.747 3.449 3.757 0.000 -0.077 0.000 3/49920 590.0 3.680 3.387 3.690 0.000 -0.075 0.000 3/49920 600.0 3.616 3.327 3.625 0.000 -0.074 0.000 3/49920 610.0 3.554 3.269 3.563 0.000 -0.072 0.000 3/49920 620.0 3.495 3.213 3.503 0.000 -0.070 0.000 3/49920 630.0 3.437 3.160 3.445 0.000 -0.069 0.000 3/49920 640.0 3.381 3.108 3.389 0.000 -0.067 0.000 3/49920 650.0 3.327 3.058 3.334 0.000 -0.066 0.000 3/49920 660.0 3.275 3.009 3.282 0.000 -0.065 0.000 3/49920 670.0 3.225 2.962 3.231 0.000 -0.063 0.000 3/49920 680.0 3.176 2.916 3.182 0.000 -0.062 0.000 3/49920 690.0 3.128 2.872 3.134 0.000 -0.061 0.000 3/49920 700.0 3.082 2.830 3.088 0.000 -0.060 0.000 3/49920 710.0 3.038 2.788 3.043 0.000 -0.058 0.000 3/49920 720.0 2.994 2.748 2.999 0.000 -0.057 0.000 3/49920 730.0 2.952 2.709 2.957 0.000 -0.056 0.000 3/49920 740.0 2.911 2.671 2.916 0.000 -0.055 0.000 3/49920 750.0 2.872 2.634 2.876 0.000 -0.054 0.000 3/49920 760.0 2.833 2.598 2.837 0.000 -0.053 0.000 3/49920 770.0 2.795 2.563 2.800 0.000 -0.053 0.000 3/49920 780.0 2.759 2.529 2.763 0.000 -0.052 0.000 3/49920 790.0 2.723 2.496 2.727 0.000 -0.051 0.000 3/49920 800.0 2.688 2.464 2.692 0.000 -0.050 0.000 3/49920 810.0 2.655 2.433 2.658 0.000 -0.049 0.000 3/49920 820.0 2.622 2.402 2.625 0.000 -0.048 0.000 3/49920 830.0 2.589 2.373 2.593 0.000 -0.048 0.000 3/49920 840.0 2.558 2.344 2.561 0.000 -0.047 0.000 3/49920 850.0 2.528 2.315 2.531 0.000 -0.046 0.000 3/49920 860.0 2.498 2.288 2.501 0.000 -0.046 0.000 3/49920 870.0 2.469 2.261 2.471 0.000 -0.045 0.000 3/49920 880.0 2.440 2.234 2.443 0.000 -0.044 0.000 3/49920 890.0 2.412 2.209 2.415 0.000 -0.044 0.000 3/49920 900.0 2.385 2.184 2.388 0.000 -0.043 0.000 3/49920 910.0 2.359 2.159 2.361 0.000 -0.042 0.000 3/49920 920.0 2.333 2.135 2.335 0.000 -0.042 0.000 3/49920 930.0 2.307 2.112 2.310 0.000 -0.041 0.000 3/49920 940.0 2.282 2.089 2.285 0.000 -0.041 0.000 3/49920 950.0 2.258 2.066 2.260 0.000 -0.040 0.000 3/49920 960.0 2.234 2.044 2.236 0.000 -0.040 0.000 3/49920 970.0 2.211 2.023 2.213 0.000 -0.039 0.000 3/49920 980.0 2.188 2.002 2.190 0.000 -0.039 0.000 3/49920 990.0 2.166 1.981 2.168 0.000 -0.038 0.000 3/49920 1000.0 2.144 1.961 2.146 0.000 -0.038 0.000 3/49920 Thermal conductivity related properties were written into "kappa-m1358.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:10:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|