----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:35:34]------------------------- 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: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.181532055022394 -3.242874395000000 0.000000000000000 b 7.181532055022394 3.242874395000000 0.000000000000000 c -1.272156313120512 0.000000000000000 8.730403142972065 Atomic positions (fractional): *1 La 0.92912464947519 0.07087535052481 0.75000000000000 138.905 *2 La 0.78997427053264 0.57989735610358 0.17060968060100 138.905 3 La 0.42010264389642 0.21002572946736 0.32939031939900 138.905 4 La 0.21002572946736 0.42010264389641 0.82939031939900 138.905 5 La 0.57989735610358 0.78997427053264 0.67060968060100 138.905 6 La 0.07087535052481 0.92912464947519 0.25000000000000 138.905 *7 Si 0.78638746497533 0.89724617299526 0.97344621494426 28.085 8 Si 0.21361253502467 0.10275382700474 0.02655378505574 28.085 9 Si 0.10275382700474 0.21361253502467 0.52655378505574 28.085 10 Si 0.89724617299526 0.78638746497533 0.47344621494426 28.085 *11 Cl 0.47475200090996 0.52524799909004 0.75000000000000 35.453 12 Cl 0.52524799909004 0.47475200090996 0.25000000000000 35.453 *13 O 0.09297601687003 0.61752889083268 0.35201064872862 15.999 *14 O 0.79882896703963 0.04630410770108 0.46688285711136 15.999 *15 O 0.31830294382799 0.20299557888808 0.58158982324986 15.999 16 O 0.20299557888808 0.31830294382800 0.08158982324986 15.999 17 O 0.95369589229892 0.20117103296037 0.03311714288864 15.999 18 O 0.61752889083268 0.09297601687003 0.85201064872862 15.999 19 O 0.90702398312997 0.38247110916732 0.64798935127138 15.999 *20 O 0.03811633994499 0.27026480552780 0.34640652352430 15.999 21 O 0.96188366005501 0.72973519447220 0.65359347647570 15.999 22 O 0.27026480552780 0.03811633994499 0.84640652352430 15.999 23 O 0.79700442111192 0.68169705617201 0.91841017675014 15.999 24 O 0.20117103296037 0.95369589229892 0.53311714288864 15.999 25 O 0.68169705617201 0.79700442111192 0.41841017675014 15.999 26 O 0.04630410770108 0.79882896703963 0.96688285711136 15.999 27 O 0.38247110916732 0.90702398312997 0.14798935127138 15.999 28 O 0.72973519447220 0.96188366005501 0.15359347647570 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.363064110044789 0.000000000000000 0.000000000000000 b 0.000000000000000 6.485748790000001 0.000000000000000 c -1.272156313120512 0.000000000000000 8.730403142972065 Atomic positions (fractional): *1 La 0.00000000000000 0.07087535052481 0.75000000000000 138.905 > 1 *2 La 0.18493581331811 0.39496154278547 0.17060968060100 138.905 > 2 3 La 0.31506418668189 0.89496154278547 0.32939031939900 138.905 > 3 4 La 0.31506418668189 0.10503845721453 0.82939031939900 138.905 > 4 5 La 0.18493581331811 0.60503845721453 0.67060968060100 138.905 > 5 6 La 0.00000000000000 0.92912464947519 0.25000000000000 138.905 > 6 7 La 0.50000000000000 0.57087535052481 0.75000000000000 138.905 > 1 8 La 0.68493581331811 0.89496154278547 0.17060968060100 138.905 > 2 9 La 0.81506418668189 0.39496154278547 0.32939031939900 138.905 > 3 10 La 0.81506418668189 0.60503845721453 0.82939031939900 138.905 > 4 11 La 0.68493581331811 0.10503845721453 0.67060968060100 138.905 > 5 12 La 0.50000000000000 0.42912464947519 0.25000000000000 138.905 > 6 *13 Si 0.34181681898530 0.55542935400996 0.97344621494426 28.085 > 7 14 Si 0.15818318101470 0.94457064599004 0.02655378505574 28.085 > 8 15 Si 0.15818318101470 0.05542935400996 0.52655378505574 28.085 > 9 16 Si 0.34181681898530 0.44457064599004 0.47344621494426 28.085 > 10 17 Si 0.84181681898530 0.05542935400996 0.97344621494426 28.085 > 7 18 Si 0.65818318101470 0.44457064599004 0.02655378505574 28.085 > 8 19 Si 0.65818318101470 0.55542935400996 0.52655378505574 28.085 > 9 20 Si 0.84181681898530 0.94457064599004 0.47344621494426 28.085 > 10 *21 Cl 0.00000000000000 0.52524799909004 0.75000000000000 35.453 > 11 22 Cl 0.00000000000000 0.47475200090996 0.25000000000000 35.453 > 12 23 Cl 0.50000000000000 0.02524799909004 0.75000000000000 35.453 > 11 24 Cl 0.50000000000000 0.97475200090996 0.25000000000000 35.453 > 12 *25 O 0.35525245385136 0.26227643698133 0.35201064872862 15.999 > 13 *26 O 0.42256653737035 0.62373757033073 0.46688285711136 15.999 > 14 *27 O 0.26064926135804 0.94234631753004 0.58158982324986 15.999 > 15 28 O 0.26064926135804 0.05765368246996 0.08158982324986 15.999 > 16 29 O 0.07743346262964 0.12373757033073 0.03311714288864 15.999 > 17 30 O 0.35525245385136 0.73772356301868 0.85201064872862 15.999 > 18 31 O 0.14474754614864 0.23772356301868 0.64798935127138 15.999 > 19 *32 O 0.15419057273640 0.11607423279141 0.34640652352430 15.999 > 20 33 O 0.34580942726360 0.38392576720859 0.65359347647570 15.999 > 21 34 O 0.15419057273640 0.88392576720859 0.84640652352430 15.999 > 22 35 O 0.23935073864196 0.44234631753004 0.91841017675014 15.999 > 23 36 O 0.07743346262964 0.87626242966927 0.53311714288864 15.999 > 24 37 O 0.23935073864196 0.55765368246996 0.41841017675014 15.999 > 25 38 O 0.42256653737035 0.37626242966927 0.96688285711136 15.999 > 26 39 O 0.14474754614864 0.76227643698132 0.14798935127138 15.999 > 27 40 O 0.34580942726360 0.61607423279141 0.15359347647570 15.999 > 28 41 O 0.85525245385136 0.76227643698132 0.35201064872862 15.999 > 13 42 O 0.92256653737035 0.12373757033073 0.46688285711136 15.999 > 14 43 O 0.76064926135804 0.44234631753004 0.58158982324986 15.999 > 15 44 O 0.76064926135804 0.55765368246996 0.08158982324986 15.999 > 16 45 O 0.57743346262965 0.62373757033073 0.03311714288864 15.999 > 17 46 O 0.85525245385136 0.23772356301868 0.85201064872862 15.999 > 18 47 O 0.64474754614864 0.73772356301868 0.64798935127138 15.999 > 19 48 O 0.65419057273640 0.61607423279141 0.34640652352430 15.999 > 20 49 O 0.84580942726360 0.88392576720859 0.65359347647570 15.999 > 21 50 O 0.65419057273640 0.38392576720859 0.84640652352430 15.999 > 22 51 O 0.73935073864196 0.94234631753004 0.91841017675014 15.999 > 23 52 O 0.57743346262965 0.37626242966927 0.53311714288864 15.999 > 24 53 O 0.73935073864196 0.05765368246996 0.41841017675014 15.999 > 25 54 O 0.92256653737035 0.87626242966927 0.96688285711136 15.999 > 26 55 O 0.64474754614864 0.26227643698133 0.14798935127138 15.999 > 27 56 O 0.84580942726360 0.11607423279141 0.15359347647570 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.363064110044789 0.000000000000000 0.000000000000000 b 0.000000000000000 12.971497580000001 0.000000000000000 c -1.272156313120512 0.000000000000000 8.730403142972065 Atomic positions (fractional): *1 La 0.00000000000000 0.03543767526240 0.75000000000000 138.905 > 1 2 La 0.00000000000000 0.53543767526240 0.75000000000000 138.905 > 1 *3 La 0.18493581331811 0.19748077139274 0.17060968060100 138.905 > 2 4 La 0.18493581331811 0.69748077139274 0.17060968060100 138.905 > 2 5 La 0.31506418668189 0.44748077139274 0.32939031939900 138.905 > 3 6 La 0.31506418668189 0.94748077139274 0.32939031939900 138.905 > 3 7 La 0.31506418668189 0.05251922860726 0.82939031939900 138.905 > 4 8 La 0.31506418668189 0.55251922860726 0.82939031939900 138.905 > 4 9 La 0.18493581331811 0.30251922860726 0.67060968060100 138.905 > 5 10 La 0.18493581331811 0.80251922860726 0.67060968060100 138.905 > 5 11 La 0.00000000000000 0.46456232473760 0.25000000000000 138.905 > 6 12 La 0.00000000000000 0.96456232473760 0.25000000000000 138.905 > 6 13 La 0.50000000000000 0.28543767526240 0.75000000000000 138.905 > 1 14 La 0.50000000000000 0.78543767526240 0.75000000000000 138.905 > 1 15 La 0.68493581331811 0.44748077139274 0.17060968060100 138.905 > 2 16 La 0.68493581331811 0.94748077139274 0.17060968060100 138.905 > 2 17 La 0.81506418668189 0.19748077139274 0.32939031939900 138.905 > 3 18 La 0.81506418668189 0.69748077139274 0.32939031939900 138.905 > 3 19 La 0.81506418668189 0.30251922860726 0.82939031939900 138.905 > 4 20 La 0.81506418668189 0.80251922860726 0.82939031939900 138.905 > 4 21 La 0.68493581331811 0.05251922860726 0.67060968060100 138.905 > 5 22 La 0.68493581331811 0.55251922860726 0.67060968060100 138.905 > 5 23 La 0.50000000000000 0.21456232473760 0.25000000000000 138.905 > 6 24 La 0.50000000000000 0.71456232473760 0.25000000000000 138.905 > 6 *25 Si 0.34181681898530 0.27771467700498 0.97344621494426 28.085 > 7 26 Si 0.34181681898530 0.77771467700498 0.97344621494426 28.085 > 7 27 Si 0.15818318101470 0.47228532299502 0.02655378505574 28.085 > 8 28 Si 0.15818318101470 0.97228532299502 0.02655378505574 28.085 > 8 29 Si 0.15818318101470 0.02771467700498 0.52655378505574 28.085 > 9 30 Si 0.15818318101470 0.52771467700498 0.52655378505574 28.085 > 9 31 Si 0.34181681898530 0.22228532299502 0.47344621494426 28.085 > 10 32 Si 0.34181681898530 0.72228532299502 0.47344621494426 28.085 > 10 33 Si 0.84181681898530 0.02771467700498 0.97344621494426 28.085 > 7 34 Si 0.84181681898530 0.52771467700498 0.97344621494426 28.085 > 7 35 Si 0.65818318101470 0.22228532299502 0.02655378505574 28.085 > 8 36 Si 0.65818318101470 0.72228532299502 0.02655378505574 28.085 > 8 37 Si 0.65818318101470 0.27771467700498 0.52655378505574 28.085 > 9 38 Si 0.65818318101470 0.77771467700498 0.52655378505574 28.085 > 9 39 Si 0.84181681898530 0.47228532299502 0.47344621494426 28.085 > 10 40 Si 0.84181681898530 0.97228532299502 0.47344621494426 28.085 > 10 *41 Cl 0.00000000000000 0.26262399954502 0.75000000000000 35.453 > 11 42 Cl 0.00000000000000 0.76262399954502 0.75000000000000 35.453 > 11 43 Cl 0.00000000000000 0.23737600045498 0.25000000000000 35.453 > 12 44 Cl 0.00000000000000 0.73737600045498 0.25000000000000 35.453 > 12 45 Cl 0.50000000000000 0.01262399954502 0.75000000000000 35.453 > 11 46 Cl 0.50000000000000 0.51262399954502 0.75000000000000 35.453 > 11 47 Cl 0.50000000000000 0.48737600045498 0.25000000000000 35.453 > 12 48 Cl 0.50000000000000 0.98737600045498 0.25000000000000 35.453 > 12 *49 O 0.35525245385136 0.13113821849066 0.35201064872862 15.999 > 13 50 O 0.35525245385136 0.63113821849066 0.35201064872862 15.999 > 13 *51 O 0.42256653737035 0.31186878516536 0.46688285711136 15.999 > 14 52 O 0.42256653737035 0.81186878516536 0.46688285711136 15.999 > 14 *53 O 0.26064926135804 0.47117315876502 0.58158982324986 15.999 > 15 54 O 0.26064926135804 0.97117315876502 0.58158982324986 15.999 > 15 55 O 0.26064926135804 0.02882684123498 0.08158982324986 15.999 > 16 56 O 0.26064926135804 0.52882684123498 0.08158982324986 15.999 > 16 57 O 0.07743346262964 0.06186878516536 0.03311714288864 15.999 > 17 58 O 0.07743346262964 0.56186878516536 0.03311714288864 15.999 > 17 59 O 0.35525245385136 0.36886178150934 0.85201064872862 15.999 > 18 60 O 0.35525245385136 0.86886178150934 0.85201064872862 15.999 > 18 61 O 0.14474754614864 0.11886178150934 0.64798935127138 15.999 > 19 62 O 0.14474754614864 0.61886178150934 0.64798935127138 15.999 > 19 *63 O 0.15419057273640 0.05803711639570 0.34640652352430 15.999 > 20 64 O 0.15419057273640 0.55803711639570 0.34640652352430 15.999 > 20 65 O 0.34580942726360 0.19196288360430 0.65359347647570 15.999 > 21 66 O 0.34580942726360 0.69196288360430 0.65359347647570 15.999 > 21 67 O 0.15419057273640 0.44196288360430 0.84640652352430 15.999 > 22 68 O 0.15419057273640 0.94196288360430 0.84640652352430 15.999 > 22 69 O 0.23935073864196 0.22117315876502 0.91841017675014 15.999 > 23 70 O 0.23935073864196 0.72117315876502 0.91841017675014 15.999 > 23 71 O 0.07743346262964 0.43813121483464 0.53311714288864 15.999 > 24 72 O 0.07743346262964 0.93813121483464 0.53311714288864 15.999 > 24 73 O 0.23935073864196 0.27882684123498 0.41841017675014 15.999 > 25 74 O 0.23935073864196 0.77882684123498 0.41841017675014 15.999 > 25 75 O 0.42256653737035 0.18813121483464 0.96688285711136 15.999 > 26 76 O 0.42256653737035 0.68813121483464 0.96688285711136 15.999 > 26 77 O 0.14474754614864 0.38113821849066 0.14798935127138 15.999 > 27 78 O 0.14474754614864 0.88113821849066 0.14798935127138 15.999 > 27 79 O 0.34580942726360 0.30803711639570 0.15359347647570 15.999 > 28 80 O 0.34580942726360 0.80803711639570 0.15359347647570 15.999 > 28 81 O 0.85525245385136 0.38113821849066 0.35201064872862 15.999 > 13 82 O 0.85525245385136 0.88113821849066 0.35201064872862 15.999 > 13 83 O 0.92256653737035 0.06186878516536 0.46688285711136 15.999 > 14 84 O 0.92256653737035 0.56186878516536 0.46688285711136 15.999 > 14 85 O 0.76064926135804 0.22117315876502 0.58158982324986 15.999 > 15 86 O 0.76064926135804 0.72117315876502 0.58158982324986 15.999 > 15 87 O 0.76064926135804 0.27882684123498 0.08158982324986 15.999 > 16 88 O 0.76064926135804 0.77882684123498 0.08158982324986 15.999 > 16 89 O 0.57743346262965 0.31186878516536 0.03311714288864 15.999 > 17 90 O 0.57743346262965 0.81186878516536 0.03311714288864 15.999 > 17 91 O 0.85525245385136 0.11886178150934 0.85201064872862 15.999 > 18 92 O 0.85525245385136 0.61886178150934 0.85201064872862 15.999 > 18 93 O 0.64474754614864 0.36886178150934 0.64798935127138 15.999 > 19 94 O 0.64474754614864 0.86886178150934 0.64798935127138 15.999 > 19 95 O 0.65419057273640 0.30803711639570 0.34640652352430 15.999 > 20 96 O 0.65419057273640 0.80803711639570 0.34640652352430 15.999 > 20 97 O 0.84580942726360 0.44196288360430 0.65359347647570 15.999 > 21 98 O 0.84580942726360 0.94196288360430 0.65359347647570 15.999 > 21 99 O 0.65419057273640 0.19196288360430 0.84640652352430 15.999 > 22 100 O 0.65419057273640 0.69196288360430 0.84640652352430 15.999 > 22 101 O 0.73935073864196 0.47117315876502 0.91841017675014 15.999 > 23 102 O 0.73935073864196 0.97117315876502 0.91841017675014 15.999 > 23 103 O 0.57743346262965 0.18813121483464 0.53311714288864 15.999 > 24 104 O 0.57743346262965 0.68813121483464 0.53311714288864 15.999 > 24 105 O 0.73935073864196 0.02882684123498 0.41841017675014 15.999 > 25 106 O 0.73935073864196 0.52882684123498 0.41841017675014 15.999 > 25 107 O 0.92256653737035 0.43813121483464 0.96688285711136 15.999 > 26 108 O 0.92256653737035 0.93813121483464 0.96688285711136 15.999 > 26 109 O 0.64474754614864 0.13113821849066 0.14798935127138 15.999 > 27 110 O 0.64474754614864 0.63113821849066 0.14798935127138 15.999 > 27 111 O 0.84580942726360 0.05803711639570 0.15359347647570 15.999 > 28 112 O 0.84580942726360 0.55803711639570 0.15359347647570 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8701056 0.0000000 -0.0890076 0.0000000 3.8564831 0.0000000 -0.0890108 0.0000000 3.8358582 -------------------------- Born effective charges -------------------------- 1 La 4.7005349 0.0000000 -0.0286870 0.0000000 3.5661658 0.0000000 -0.0205548 -0.0000000 4.2525550 2 La 3.8437687 0.2808440 -0.2098200 0.2111360 4.6816980 0.1216837 -0.2013893 0.1146373 4.0785615 3 La 3.8437687 -0.2808440 -0.2098200 -0.2111360 4.6816980 -0.1216837 -0.2013893 -0.1146373 4.0785615 4 La 3.8437687 0.2808440 -0.2098200 0.2111360 4.6816980 0.1216837 -0.2013893 0.1146373 4.0785615 5 La 3.8437687 -0.2808440 -0.2098200 -0.2111360 4.6816980 -0.1216837 -0.2013893 -0.1146373 4.0785615 6 La 4.7005349 0.0000000 -0.0286870 0.0000000 3.5661658 0.0000000 -0.0205548 -0.0000000 4.2525550 7 Si 2.7027788 -0.0446197 -0.0687198 0.0362762 2.7080850 -0.1279415 -0.1087548 -0.0353927 3.3166785 8 Si 2.7027788 -0.0446197 -0.0687198 0.0362762 2.7080850 -0.1279415 -0.1087548 -0.0353927 3.3166785 9 Si 2.7027788 0.0446197 -0.0687198 -0.0362762 2.7080850 0.1279415 -0.1087548 0.0353927 3.3166785 10 Si 2.7027788 0.0446197 -0.0687198 -0.0362762 2.7080850 0.1279415 -0.1087548 0.0353927 3.3166785 11 Cl -1.7821281 0.0000000 0.2689140 0.0000000 -1.4949075 0.0000000 0.2356490 -0.0000000 -0.6509612 12 Cl -1.7821281 0.0000000 0.2689140 0.0000000 -1.4949075 0.0000000 0.2356490 -0.0000000 -0.6509612 13 O -1.9748650 -0.1722505 0.1751184 -0.1796770 -2.6264202 -0.3951649 0.2012536 -0.4078770 -1.7102792 14 O -2.0285701 0.0388292 -0.1316709 0.0489317 -2.0108332 0.1813265 -0.1628592 0.2283433 -2.3053422 15 O -1.9856656 0.1185966 0.0583606 0.1413786 -1.9165393 -0.1847589 0.0897764 -0.1462253 -2.6214851 16 O -1.9856656 -0.1185966 0.0583606 -0.1413786 -1.9165393 0.1847589 0.0897764 0.1462253 -2.6214851 17 O -2.0285701 -0.0388292 -0.1316709 -0.0489317 -2.0108332 -0.1813265 -0.1628592 -0.2283433 -2.3053422 18 O -1.9748650 0.1722505 0.1751184 0.1796770 -2.6264202 0.3951649 0.2012536 0.4078770 -1.7102792 19 O -1.9748650 -0.1722505 0.1751184 -0.1796770 -2.6264202 -0.3951649 0.2012536 -0.4078770 -1.7102792 20 O -2.0166501 -0.2690723 0.0566183 -0.2481009 -1.8716195 0.4223065 0.0744263 0.4595390 -2.5589304 21 O -2.0166501 -0.2690723 0.0566183 -0.2481009 -1.8716195 0.4223065 0.0744263 0.4595390 -2.5589304 22 O -2.0166501 0.2690723 0.0566183 0.2481009 -1.8716195 -0.4223065 0.0744263 -0.4595390 -2.5589304 23 O -1.9856656 -0.1185966 0.0583606 -0.1413786 -1.9165393 0.1847589 0.0897764 0.1462253 -2.6214851 24 O -2.0285701 0.0388292 -0.1316709 0.0489317 -2.0108332 0.1813265 -0.1628592 0.2283433 -2.3053422 25 O -1.9856656 0.1185966 0.0583606 0.1413786 -1.9165393 -0.1847589 0.0897764 -0.1462253 -2.6214851 26 O -2.0285701 -0.0388292 -0.1316709 -0.0489317 -2.0108332 -0.1813265 -0.1628592 -0.2283433 -2.3053422 27 O -1.9748650 0.1722505 0.1751184 0.1796770 -2.6264202 0.3951649 0.2012536 0.4078770 -1.7102792 28 O -2.0166501 0.2690723 0.0566183 0.2481009 -1.8716195 -0.4223065 0.0744263 -0.4595390 -2.5589304 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (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: 800 / 800 (1) 291 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 9), data: (800, 24) @ (24, 9) |-- (300, 291), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.027 Solver_block: 200 / 880 - Time: 0.938 Solver_block: 300 / 880 - Time: 0.937 Solver_block: 400 / 880 - Time: 0.948 Solver_block: 500 / 880 - Time: 0.942 Solver_block: 600 / 880 - Time: 0.947 Solver_block: 700 / 880 - Time: 0.936 Solver_block: 800 / 880 - Time: 0.955 Solver_block: 880 / 880 - Time: 0.782 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.585 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (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: 800 / 800 (1) 291 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 257 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3599), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 11), data: (768, 23) @ (23, 11) |-- (268, 257), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 785), data: False |-- (800, 9), data: (800, 24) @ (24, 9) |-- (300, 291), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 2026-01-08 14:36:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:36:20]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.181532055022394 -3.242874395000000 0.000000000000000 b 7.181532055022394 3.242874395000000 0.000000000000000 c -1.272156313120512 0.000000000000000 8.730403142972065 Atomic positions (fractional): 1 La 0.92912464947519 0.07087535052481 0.75000000000000 138.905 2 La 0.78997427053264 0.57989735610358 0.17060968060100 138.905 3 La 0.42010264389642 0.21002572946736 0.32939031939900 138.905 4 La 0.21002572946736 0.42010264389641 0.82939031939900 138.905 5 La 0.57989735610358 0.78997427053264 0.67060968060100 138.905 6 La 0.07087535052481 0.92912464947519 0.25000000000000 138.905 7 Si 0.78638746497533 0.89724617299526 0.97344621494426 28.085 8 Si 0.21361253502467 0.10275382700474 0.02655378505574 28.085 9 Si 0.10275382700474 0.21361253502467 0.52655378505574 28.085 10 Si 0.89724617299526 0.78638746497533 0.47344621494426 28.085 11 Cl 0.47475200090996 0.52524799909004 0.75000000000000 35.453 12 Cl 0.52524799909004 0.47475200090996 0.25000000000000 35.453 13 O 0.09297601687003 0.61752889083268 0.35201064872862 15.999 14 O 0.79882896703963 0.04630410770108 0.46688285711136 15.999 15 O 0.31830294382799 0.20299557888808 0.58158982324986 15.999 16 O 0.20299557888808 0.31830294382800 0.08158982324986 15.999 17 O 0.95369589229892 0.20117103296037 0.03311714288864 15.999 18 O 0.61752889083268 0.09297601687003 0.85201064872862 15.999 19 O 0.90702398312997 0.38247110916732 0.64798935127138 15.999 20 O 0.03811633994499 0.27026480552780 0.34640652352430 15.999 21 O 0.96188366005501 0.72973519447220 0.65359347647570 15.999 22 O 0.27026480552780 0.03811633994499 0.84640652352430 15.999 23 O 0.79700442111192 0.68169705617201 0.91841017675014 15.999 24 O 0.20117103296037 0.95369589229892 0.53311714288864 15.999 25 O 0.68169705617201 0.79700442111192 0.41841017675014 15.999 26 O 0.04630410770108 0.79882896703963 0.96688285711136 15.999 27 O 0.38247110916732 0.90702398312997 0.14798935127138 15.999 28 O 0.72973519447220 0.96188366005501 0.15359347647570 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.363064110044789 0.000000000000000 0.000000000000000 b 0.000000000000000 12.971497580000001 0.000000000000000 c -1.272156313120512 0.000000000000000 8.730403142972065 Atomic positions (fractional): 1 La 0.00000000000000 0.03543767526240 0.75000000000000 138.905 > 1 2 La 0.00000000000000 0.53543767526240 0.75000000000000 138.905 > 1 3 La 0.18493581331811 0.19748077139274 0.17060968060100 138.905 > 3 4 La 0.18493581331811 0.69748077139274 0.17060968060100 138.905 > 3 5 La 0.31506418668189 0.44748077139274 0.32939031939900 138.905 > 5 6 La 0.31506418668189 0.94748077139274 0.32939031939900 138.905 > 5 7 La 0.31506418668189 0.05251922860726 0.82939031939900 138.905 > 7 8 La 0.31506418668189 0.55251922860726 0.82939031939900 138.905 > 7 9 La 0.18493581331811 0.30251922860726 0.67060968060100 138.905 > 9 10 La 0.18493581331811 0.80251922860726 0.67060968060100 138.905 > 9 11 La 0.00000000000000 0.46456232473760 0.25000000000000 138.905 > 11 12 La 0.00000000000000 0.96456232473760 0.25000000000000 138.905 > 11 13 La 0.50000000000000 0.28543767526240 0.75000000000000 138.905 > 1 14 La 0.50000000000000 0.78543767526240 0.75000000000000 138.905 > 1 15 La 0.68493581331811 0.44748077139274 0.17060968060100 138.905 > 3 16 La 0.68493581331811 0.94748077139274 0.17060968060100 138.905 > 3 17 La 0.81506418668189 0.19748077139274 0.32939031939900 138.905 > 5 18 La 0.81506418668189 0.69748077139274 0.32939031939900 138.905 > 5 19 La 0.81506418668189 0.30251922860726 0.82939031939900 138.905 > 7 20 La 0.81506418668189 0.80251922860726 0.82939031939900 138.905 > 7 21 La 0.68493581331811 0.05251922860726 0.67060968060100 138.905 > 9 22 La 0.68493581331811 0.55251922860726 0.67060968060100 138.905 > 9 23 La 0.50000000000000 0.21456232473760 0.25000000000000 138.905 > 11 24 La 0.50000000000000 0.71456232473760 0.25000000000000 138.905 > 11 25 Si 0.34181681898530 0.27771467700498 0.97344621494426 28.085 > 25 26 Si 0.34181681898530 0.77771467700498 0.97344621494426 28.085 > 25 27 Si 0.15818318101470 0.47228532299502 0.02655378505574 28.085 > 27 28 Si 0.15818318101470 0.97228532299502 0.02655378505574 28.085 > 27 29 Si 0.15818318101470 0.02771467700498 0.52655378505574 28.085 > 29 30 Si 0.15818318101470 0.52771467700498 0.52655378505574 28.085 > 29 31 Si 0.34181681898530 0.22228532299502 0.47344621494426 28.085 > 31 32 Si 0.34181681898530 0.72228532299502 0.47344621494426 28.085 > 31 33 Si 0.84181681898530 0.02771467700498 0.97344621494426 28.085 > 25 34 Si 0.84181681898530 0.52771467700498 0.97344621494426 28.085 > 25 35 Si 0.65818318101470 0.22228532299502 0.02655378505574 28.085 > 27 36 Si 0.65818318101470 0.72228532299502 0.02655378505574 28.085 > 27 37 Si 0.65818318101470 0.27771467700498 0.52655378505574 28.085 > 29 38 Si 0.65818318101470 0.77771467700498 0.52655378505574 28.085 > 29 39 Si 0.84181681898530 0.47228532299502 0.47344621494426 28.085 > 31 40 Si 0.84181681898530 0.97228532299502 0.47344621494426 28.085 > 31 41 Cl 0.00000000000000 0.26262399954502 0.75000000000000 35.453 > 41 42 Cl 0.00000000000000 0.76262399954502 0.75000000000000 35.453 > 41 43 Cl 0.00000000000000 0.23737600045498 0.25000000000000 35.453 > 43 44 Cl 0.00000000000000 0.73737600045498 0.25000000000000 35.453 > 43 45 Cl 0.50000000000000 0.01262399954502 0.75000000000000 35.453 > 41 46 Cl 0.50000000000000 0.51262399954502 0.75000000000000 35.453 > 41 47 Cl 0.50000000000000 0.48737600045498 0.25000000000000 35.453 > 43 48 Cl 0.50000000000000 0.98737600045498 0.25000000000000 35.453 > 43 49 O 0.35525245385136 0.13113821849066 0.35201064872862 15.999 > 49 50 O 0.35525245385136 0.63113821849066 0.35201064872862 15.999 > 49 51 O 0.42256653737035 0.31186878516536 0.46688285711136 15.999 > 51 52 O 0.42256653737035 0.81186878516536 0.46688285711136 15.999 > 51 53 O 0.26064926135804 0.47117315876502 0.58158982324986 15.999 > 53 54 O 0.26064926135804 0.97117315876502 0.58158982324986 15.999 > 53 55 O 0.26064926135804 0.02882684123498 0.08158982324986 15.999 > 55 56 O 0.26064926135804 0.52882684123498 0.08158982324986 15.999 > 55 57 O 0.07743346262964 0.06186878516536 0.03311714288864 15.999 > 57 58 O 0.07743346262964 0.56186878516536 0.03311714288864 15.999 > 57 59 O 0.35525245385136 0.36886178150934 0.85201064872862 15.999 > 59 60 O 0.35525245385136 0.86886178150934 0.85201064872862 15.999 > 59 61 O 0.14474754614864 0.11886178150934 0.64798935127138 15.999 > 61 62 O 0.14474754614864 0.61886178150934 0.64798935127138 15.999 > 61 63 O 0.15419057273640 0.05803711639570 0.34640652352430 15.999 > 63 64 O 0.15419057273640 0.55803711639570 0.34640652352430 15.999 > 63 65 O 0.34580942726360 0.19196288360430 0.65359347647570 15.999 > 65 66 O 0.34580942726360 0.69196288360430 0.65359347647570 15.999 > 65 67 O 0.15419057273640 0.44196288360430 0.84640652352430 15.999 > 67 68 O 0.15419057273640 0.94196288360430 0.84640652352430 15.999 > 67 69 O 0.23935073864196 0.22117315876502 0.91841017675014 15.999 > 69 70 O 0.23935073864196 0.72117315876502 0.91841017675014 15.999 > 69 71 O 0.07743346262964 0.43813121483464 0.53311714288864 15.999 > 71 72 O 0.07743346262964 0.93813121483464 0.53311714288864 15.999 > 71 73 O 0.23935073864196 0.27882684123498 0.41841017675014 15.999 > 73 74 O 0.23935073864196 0.77882684123498 0.41841017675014 15.999 > 73 75 O 0.42256653737035 0.18813121483464 0.96688285711136 15.999 > 75 76 O 0.42256653737035 0.68813121483464 0.96688285711136 15.999 > 75 77 O 0.14474754614864 0.38113821849066 0.14798935127138 15.999 > 77 78 O 0.14474754614864 0.88113821849066 0.14798935127138 15.999 > 77 79 O 0.34580942726360 0.30803711639570 0.15359347647570 15.999 > 79 80 O 0.34580942726360 0.80803711639570 0.15359347647570 15.999 > 79 81 O 0.85525245385136 0.38113821849066 0.35201064872862 15.999 > 49 82 O 0.85525245385136 0.88113821849066 0.35201064872862 15.999 > 49 83 O 0.92256653737035 0.06186878516536 0.46688285711136 15.999 > 51 84 O 0.92256653737035 0.56186878516536 0.46688285711136 15.999 > 51 85 O 0.76064926135804 0.22117315876502 0.58158982324986 15.999 > 53 86 O 0.76064926135804 0.72117315876502 0.58158982324986 15.999 > 53 87 O 0.76064926135804 0.27882684123498 0.08158982324986 15.999 > 55 88 O 0.76064926135804 0.77882684123498 0.08158982324986 15.999 > 55 89 O 0.57743346262965 0.31186878516536 0.03311714288864 15.999 > 57 90 O 0.57743346262965 0.81186878516536 0.03311714288864 15.999 > 57 91 O 0.85525245385136 0.11886178150934 0.85201064872862 15.999 > 59 92 O 0.85525245385136 0.61886178150934 0.85201064872862 15.999 > 59 93 O 0.64474754614864 0.36886178150934 0.64798935127138 15.999 > 61 94 O 0.64474754614864 0.86886178150934 0.64798935127138 15.999 > 61 95 O 0.65419057273640 0.30803711639570 0.34640652352430 15.999 > 63 96 O 0.65419057273640 0.80803711639570 0.34640652352430 15.999 > 63 97 O 0.84580942726360 0.44196288360430 0.65359347647570 15.999 > 65 98 O 0.84580942726360 0.94196288360430 0.65359347647570 15.999 > 65 99 O 0.65419057273640 0.19196288360430 0.84640652352430 15.999 > 67 100 O 0.65419057273640 0.69196288360430 0.84640652352430 15.999 > 67 101 O 0.73935073864196 0.47117315876502 0.91841017675014 15.999 > 69 102 O 0.73935073864196 0.97117315876502 0.91841017675014 15.999 > 69 103 O 0.57743346262965 0.18813121483464 0.53311714288864 15.999 > 71 104 O 0.57743346262965 0.68813121483464 0.53311714288864 15.999 > 71 105 O 0.73935073864196 0.02882684123498 0.41841017675014 15.999 > 73 106 O 0.73935073864196 0.52882684123498 0.41841017675014 15.999 > 73 107 O 0.92256653737035 0.43813121483464 0.96688285711136 15.999 > 75 108 O 0.92256653737035 0.93813121483464 0.96688285711136 15.999 > 75 109 O 0.64474754614864 0.13113821849066 0.14798935127138 15.999 > 77 110 O 0.64474754614864 0.63113821849066 0.14798935127138 15.999 > 77 111 O 0.84580942726360 0.05803711639570 0.15359347647570 15.999 > 79 112 O 0.84580942726360 0.55803711639570 0.15359347647570 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8701056 0.0000000 -0.0890076 0.0000000 3.8564831 0.0000000 -0.0890108 0.0000000 3.8358582 -------------------------- Born effective charges -------------------------- 1 La 4.7005349 0.0000000 -0.0286870 0.0000000 3.5661658 0.0000000 -0.0205548 -0.0000000 4.2525550 2 La 3.8437687 0.2808440 -0.2098200 0.2111360 4.6816980 0.1216837 -0.2013893 0.1146373 4.0785615 3 La 3.8437687 -0.2808440 -0.2098200 -0.2111360 4.6816980 -0.1216837 -0.2013893 -0.1146373 4.0785615 4 La 3.8437687 0.2808440 -0.2098200 0.2111360 4.6816980 0.1216837 -0.2013893 0.1146373 4.0785615 5 La 3.8437687 -0.2808440 -0.2098200 -0.2111360 4.6816980 -0.1216837 -0.2013893 -0.1146373 4.0785615 6 La 4.7005349 0.0000000 -0.0286870 0.0000000 3.5661658 0.0000000 -0.0205548 -0.0000000 4.2525550 7 Si 2.7027788 -0.0446197 -0.0687198 0.0362762 2.7080850 -0.1279415 -0.1087548 -0.0353927 3.3166785 8 Si 2.7027788 -0.0446197 -0.0687198 0.0362762 2.7080850 -0.1279415 -0.1087548 -0.0353927 3.3166785 9 Si 2.7027788 0.0446197 -0.0687198 -0.0362762 2.7080850 0.1279415 -0.1087548 0.0353927 3.3166785 10 Si 2.7027788 0.0446197 -0.0687198 -0.0362762 2.7080850 0.1279415 -0.1087548 0.0353927 3.3166785 11 Cl -1.7821281 0.0000000 0.2689140 0.0000000 -1.4949075 0.0000000 0.2356490 -0.0000000 -0.6509612 12 Cl -1.7821281 0.0000000 0.2689140 0.0000000 -1.4949075 0.0000000 0.2356490 -0.0000000 -0.6509612 13 O -1.9748650 -0.1722505 0.1751184 -0.1796770 -2.6264202 -0.3951649 0.2012536 -0.4078770 -1.7102792 14 O -2.0285701 0.0388292 -0.1316709 0.0489317 -2.0108332 0.1813265 -0.1628592 0.2283433 -2.3053422 15 O -1.9856656 0.1185966 0.0583606 0.1413786 -1.9165393 -0.1847589 0.0897764 -0.1462253 -2.6214851 16 O -1.9856656 -0.1185966 0.0583606 -0.1413786 -1.9165393 0.1847589 0.0897764 0.1462253 -2.6214851 17 O -2.0285701 -0.0388292 -0.1316709 -0.0489317 -2.0108332 -0.1813265 -0.1628592 -0.2283433 -2.3053422 18 O -1.9748650 0.1722505 0.1751184 0.1796770 -2.6264202 0.3951649 0.2012536 0.4078770 -1.7102792 19 O -1.9748650 -0.1722505 0.1751184 -0.1796770 -2.6264202 -0.3951649 0.2012536 -0.4078770 -1.7102792 20 O -2.0166501 -0.2690723 0.0566183 -0.2481009 -1.8716195 0.4223065 0.0744263 0.4595390 -2.5589304 21 O -2.0166501 -0.2690723 0.0566183 -0.2481009 -1.8716195 0.4223065 0.0744263 0.4595390 -2.5589304 22 O -2.0166501 0.2690723 0.0566183 0.2481009 -1.8716195 -0.4223065 0.0744263 -0.4595390 -2.5589304 23 O -1.9856656 -0.1185966 0.0583606 -0.1413786 -1.9165393 0.1847589 0.0897764 0.1462253 -2.6214851 24 O -2.0285701 0.0388292 -0.1316709 0.0489317 -2.0108332 0.1813265 -0.1628592 0.2283433 -2.3053422 25 O -1.9856656 0.1185966 0.0583606 0.1413786 -1.9165393 -0.1847589 0.0897764 -0.1462253 -2.6214851 26 O -2.0285701 -0.0388292 -0.1316709 -0.0489317 -2.0108332 -0.1813265 -0.1628592 -0.2283433 -2.3053422 27 O -1.9748650 0.1722505 0.1751184 0.1796770 -2.6264202 0.3951649 0.2012536 0.4078770 -1.7102792 28 O -2.0166501 0.2690723 0.0566183 0.2481009 -1.8716195 -0.4223065 0.0744263 -0.4595390 -2.5589304 ---------------------------------------------------------------------------- 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 3, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 25, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 41, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 49, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 51, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Computing fc3[ 63, 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] [-0.0014 0.0000 0.0099] [ 0.0014 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 2026-01-08 14:36:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:36:56]------------------------- 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): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.181532055022394 -3.242874395000000 0.000000000000000 b 7.181532055022394 3.242874395000000 0.000000000000000 c -1.272156313120512 0.000000000000000 8.730403142972065 Atomic positions (fractional): 1 La 0.92912464947519 0.07087535052481 0.75000000000000 138.905 2 La 0.78997427053264 0.57989735610358 0.17060968060100 138.905 3 La 0.42010264389642 0.21002572946736 0.32939031939900 138.905 4 La 0.21002572946736 0.42010264389641 0.82939031939900 138.905 5 La 0.57989735610358 0.78997427053264 0.67060968060100 138.905 6 La 0.07087535052481 0.92912464947519 0.25000000000000 138.905 7 Si 0.78638746497533 0.89724617299526 0.97344621494426 28.085 8 Si 0.21361253502467 0.10275382700474 0.02655378505574 28.085 9 Si 0.10275382700474 0.21361253502467 0.52655378505574 28.085 10 Si 0.89724617299526 0.78638746497533 0.47344621494426 28.085 11 Cl 0.47475200090996 0.52524799909004 0.75000000000000 35.453 12 Cl 0.52524799909004 0.47475200090996 0.25000000000000 35.453 13 O 0.09297601687003 0.61752889083268 0.35201064872862 15.999 14 O 0.79882896703963 0.04630410770108 0.46688285711136 15.999 15 O 0.31830294382799 0.20299557888808 0.58158982324986 15.999 16 O 0.20299557888808 0.31830294382800 0.08158982324986 15.999 17 O 0.95369589229892 0.20117103296037 0.03311714288864 15.999 18 O 0.61752889083268 0.09297601687003 0.85201064872862 15.999 19 O 0.90702398312997 0.38247110916732 0.64798935127138 15.999 20 O 0.03811633994499 0.27026480552780 0.34640652352430 15.999 21 O 0.96188366005501 0.72973519447220 0.65359347647570 15.999 22 O 0.27026480552780 0.03811633994499 0.84640652352430 15.999 23 O 0.79700442111192 0.68169705617201 0.91841017675014 15.999 24 O 0.20117103296037 0.95369589229892 0.53311714288864 15.999 25 O 0.68169705617201 0.79700442111192 0.41841017675014 15.999 26 O 0.04630410770108 0.79882896703963 0.96688285711136 15.999 27 O 0.38247110916732 0.90702398312997 0.14798935127138 15.999 28 O 0.72973519447220 0.96188366005501 0.15359347647570 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.363064110044789 0.000000000000000 0.000000000000000 b 0.000000000000000 12.971497580000001 0.000000000000000 c -1.272156313120512 0.000000000000000 8.730403142972065 Atomic positions (fractional): 1 La 0.00000000000000 0.03543767526240 0.75000000000000 138.905 > 1 2 La 0.00000000000000 0.53543767526240 0.75000000000000 138.905 > 1 3 La 0.18493581331811 0.19748077139274 0.17060968060100 138.905 > 3 4 La 0.18493581331811 0.69748077139274 0.17060968060100 138.905 > 3 5 La 0.31506418668189 0.44748077139274 0.32939031939900 138.905 > 5 6 La 0.31506418668189 0.94748077139274 0.32939031939900 138.905 > 5 7 La 0.31506418668189 0.05251922860726 0.82939031939900 138.905 > 7 8 La 0.31506418668189 0.55251922860726 0.82939031939900 138.905 > 7 9 La 0.18493581331811 0.30251922860726 0.67060968060100 138.905 > 9 10 La 0.18493581331811 0.80251922860726 0.67060968060100 138.905 > 9 11 La 0.00000000000000 0.46456232473760 0.25000000000000 138.905 > 11 12 La 0.00000000000000 0.96456232473760 0.25000000000000 138.905 > 11 13 La 0.50000000000000 0.28543767526240 0.75000000000000 138.905 > 1 14 La 0.50000000000000 0.78543767526240 0.75000000000000 138.905 > 1 15 La 0.68493581331811 0.44748077139274 0.17060968060100 138.905 > 3 16 La 0.68493581331811 0.94748077139274 0.17060968060100 138.905 > 3 17 La 0.81506418668189 0.19748077139274 0.32939031939900 138.905 > 5 18 La 0.81506418668189 0.69748077139274 0.32939031939900 138.905 > 5 19 La 0.81506418668189 0.30251922860726 0.82939031939900 138.905 > 7 20 La 0.81506418668189 0.80251922860726 0.82939031939900 138.905 > 7 21 La 0.68493581331811 0.05251922860726 0.67060968060100 138.905 > 9 22 La 0.68493581331811 0.55251922860726 0.67060968060100 138.905 > 9 23 La 0.50000000000000 0.21456232473760 0.25000000000000 138.905 > 11 24 La 0.50000000000000 0.71456232473760 0.25000000000000 138.905 > 11 25 Si 0.34181681898530 0.27771467700498 0.97344621494426 28.085 > 25 26 Si 0.34181681898530 0.77771467700498 0.97344621494426 28.085 > 25 27 Si 0.15818318101470 0.47228532299502 0.02655378505574 28.085 > 27 28 Si 0.15818318101470 0.97228532299502 0.02655378505574 28.085 > 27 29 Si 0.15818318101470 0.02771467700498 0.52655378505574 28.085 > 29 30 Si 0.15818318101470 0.52771467700498 0.52655378505574 28.085 > 29 31 Si 0.34181681898530 0.22228532299502 0.47344621494426 28.085 > 31 32 Si 0.34181681898530 0.72228532299502 0.47344621494426 28.085 > 31 33 Si 0.84181681898530 0.02771467700498 0.97344621494426 28.085 > 25 34 Si 0.84181681898530 0.52771467700498 0.97344621494426 28.085 > 25 35 Si 0.65818318101470 0.22228532299502 0.02655378505574 28.085 > 27 36 Si 0.65818318101470 0.72228532299502 0.02655378505574 28.085 > 27 37 Si 0.65818318101470 0.27771467700498 0.52655378505574 28.085 > 29 38 Si 0.65818318101470 0.77771467700498 0.52655378505574 28.085 > 29 39 Si 0.84181681898530 0.47228532299502 0.47344621494426 28.085 > 31 40 Si 0.84181681898530 0.97228532299502 0.47344621494426 28.085 > 31 41 Cl 0.00000000000000 0.26262399954502 0.75000000000000 35.453 > 41 42 Cl 0.00000000000000 0.76262399954502 0.75000000000000 35.453 > 41 43 Cl 0.00000000000000 0.23737600045498 0.25000000000000 35.453 > 43 44 Cl 0.00000000000000 0.73737600045498 0.25000000000000 35.453 > 43 45 Cl 0.50000000000000 0.01262399954502 0.75000000000000 35.453 > 41 46 Cl 0.50000000000000 0.51262399954502 0.75000000000000 35.453 > 41 47 Cl 0.50000000000000 0.48737600045498 0.25000000000000 35.453 > 43 48 Cl 0.50000000000000 0.98737600045498 0.25000000000000 35.453 > 43 49 O 0.35525245385136 0.13113821849066 0.35201064872862 15.999 > 49 50 O 0.35525245385136 0.63113821849066 0.35201064872862 15.999 > 49 51 O 0.42256653737035 0.31186878516536 0.46688285711136 15.999 > 51 52 O 0.42256653737035 0.81186878516536 0.46688285711136 15.999 > 51 53 O 0.26064926135804 0.47117315876502 0.58158982324986 15.999 > 53 54 O 0.26064926135804 0.97117315876502 0.58158982324986 15.999 > 53 55 O 0.26064926135804 0.02882684123498 0.08158982324986 15.999 > 55 56 O 0.26064926135804 0.52882684123498 0.08158982324986 15.999 > 55 57 O 0.07743346262964 0.06186878516536 0.03311714288864 15.999 > 57 58 O 0.07743346262964 0.56186878516536 0.03311714288864 15.999 > 57 59 O 0.35525245385136 0.36886178150934 0.85201064872862 15.999 > 59 60 O 0.35525245385136 0.86886178150934 0.85201064872862 15.999 > 59 61 O 0.14474754614864 0.11886178150934 0.64798935127138 15.999 > 61 62 O 0.14474754614864 0.61886178150934 0.64798935127138 15.999 > 61 63 O 0.15419057273640 0.05803711639570 0.34640652352430 15.999 > 63 64 O 0.15419057273640 0.55803711639570 0.34640652352430 15.999 > 63 65 O 0.34580942726360 0.19196288360430 0.65359347647570 15.999 > 65 66 O 0.34580942726360 0.69196288360430 0.65359347647570 15.999 > 65 67 O 0.15419057273640 0.44196288360430 0.84640652352430 15.999 > 67 68 O 0.15419057273640 0.94196288360430 0.84640652352430 15.999 > 67 69 O 0.23935073864196 0.22117315876502 0.91841017675014 15.999 > 69 70 O 0.23935073864196 0.72117315876502 0.91841017675014 15.999 > 69 71 O 0.07743346262964 0.43813121483464 0.53311714288864 15.999 > 71 72 O 0.07743346262964 0.93813121483464 0.53311714288864 15.999 > 71 73 O 0.23935073864196 0.27882684123498 0.41841017675014 15.999 > 73 74 O 0.23935073864196 0.77882684123498 0.41841017675014 15.999 > 73 75 O 0.42256653737035 0.18813121483464 0.96688285711136 15.999 > 75 76 O 0.42256653737035 0.68813121483464 0.96688285711136 15.999 > 75 77 O 0.14474754614864 0.38113821849066 0.14798935127138 15.999 > 77 78 O 0.14474754614864 0.88113821849066 0.14798935127138 15.999 > 77 79 O 0.34580942726360 0.30803711639570 0.15359347647570 15.999 > 79 80 O 0.34580942726360 0.80803711639570 0.15359347647570 15.999 > 79 81 O 0.85525245385136 0.38113821849066 0.35201064872862 15.999 > 49 82 O 0.85525245385136 0.88113821849066 0.35201064872862 15.999 > 49 83 O 0.92256653737035 0.06186878516536 0.46688285711136 15.999 > 51 84 O 0.92256653737035 0.56186878516536 0.46688285711136 15.999 > 51 85 O 0.76064926135804 0.22117315876502 0.58158982324986 15.999 > 53 86 O 0.76064926135804 0.72117315876502 0.58158982324986 15.999 > 53 87 O 0.76064926135804 0.27882684123498 0.08158982324986 15.999 > 55 88 O 0.76064926135804 0.77882684123498 0.08158982324986 15.999 > 55 89 O 0.57743346262965 0.31186878516536 0.03311714288864 15.999 > 57 90 O 0.57743346262965 0.81186878516536 0.03311714288864 15.999 > 57 91 O 0.85525245385136 0.11886178150934 0.85201064872862 15.999 > 59 92 O 0.85525245385136 0.61886178150934 0.85201064872862 15.999 > 59 93 O 0.64474754614864 0.36886178150934 0.64798935127138 15.999 > 61 94 O 0.64474754614864 0.86886178150934 0.64798935127138 15.999 > 61 95 O 0.65419057273640 0.30803711639570 0.34640652352430 15.999 > 63 96 O 0.65419057273640 0.80803711639570 0.34640652352430 15.999 > 63 97 O 0.84580942726360 0.44196288360430 0.65359347647570 15.999 > 65 98 O 0.84580942726360 0.94196288360430 0.65359347647570 15.999 > 65 99 O 0.65419057273640 0.19196288360430 0.84640652352430 15.999 > 67 100 O 0.65419057273640 0.69196288360430 0.84640652352430 15.999 > 67 101 O 0.73935073864196 0.47117315876502 0.91841017675014 15.999 > 69 102 O 0.73935073864196 0.97117315876502 0.91841017675014 15.999 > 69 103 O 0.57743346262965 0.18813121483464 0.53311714288864 15.999 > 71 104 O 0.57743346262965 0.68813121483464 0.53311714288864 15.999 > 71 105 O 0.73935073864196 0.02882684123498 0.41841017675014 15.999 > 73 106 O 0.73935073864196 0.52882684123498 0.41841017675014 15.999 > 73 107 O 0.92256653737035 0.43813121483464 0.96688285711136 15.999 > 75 108 O 0.92256653737035 0.93813121483464 0.96688285711136 15.999 > 75 109 O 0.64474754614864 0.13113821849066 0.14798935127138 15.999 > 77 110 O 0.64474754614864 0.63113821849066 0.14798935127138 15.999 > 77 111 O 0.84580942726360 0.05803711639570 0.15359347647570 15.999 > 79 112 O 0.84580942726360 0.55803711639570 0.15359347647570 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8701056 0.0000000 -0.0890076 0.0000000 3.8564831 0.0000000 -0.0890108 0.0000000 3.8358582 -------------------------- Born effective charges -------------------------- 1 La 4.7005349 0.0000000 -0.0286870 0.0000000 3.5661658 0.0000000 -0.0205548 -0.0000000 4.2525550 2 La 3.8437687 0.2808440 -0.2098200 0.2111360 4.6816980 0.1216837 -0.2013893 0.1146373 4.0785615 3 La 3.8437687 -0.2808440 -0.2098200 -0.2111360 4.6816980 -0.1216837 -0.2013893 -0.1146373 4.0785615 4 La 3.8437687 0.2808440 -0.2098200 0.2111360 4.6816980 0.1216837 -0.2013893 0.1146373 4.0785615 5 La 3.8437687 -0.2808440 -0.2098200 -0.2111360 4.6816980 -0.1216837 -0.2013893 -0.1146373 4.0785615 6 La 4.7005349 0.0000000 -0.0286870 0.0000000 3.5661658 0.0000000 -0.0205548 -0.0000000 4.2525550 7 Si 2.7027788 -0.0446197 -0.0687198 0.0362762 2.7080850 -0.1279415 -0.1087548 -0.0353927 3.3166785 8 Si 2.7027788 -0.0446197 -0.0687198 0.0362762 2.7080850 -0.1279415 -0.1087548 -0.0353927 3.3166785 9 Si 2.7027788 0.0446197 -0.0687198 -0.0362762 2.7080850 0.1279415 -0.1087548 0.0353927 3.3166785 10 Si 2.7027788 0.0446197 -0.0687198 -0.0362762 2.7080850 0.1279415 -0.1087548 0.0353927 3.3166785 11 Cl -1.7821281 0.0000000 0.2689140 0.0000000 -1.4949075 0.0000000 0.2356490 -0.0000000 -0.6509612 12 Cl -1.7821281 0.0000000 0.2689140 0.0000000 -1.4949075 0.0000000 0.2356490 -0.0000000 -0.6509612 13 O -1.9748650 -0.1722505 0.1751184 -0.1796770 -2.6264202 -0.3951649 0.2012536 -0.4078770 -1.7102792 14 O -2.0285701 0.0388292 -0.1316709 0.0489317 -2.0108332 0.1813265 -0.1628592 0.2283433 -2.3053422 15 O -1.9856656 0.1185966 0.0583606 0.1413786 -1.9165393 -0.1847589 0.0897764 -0.1462253 -2.6214851 16 O -1.9856656 -0.1185966 0.0583606 -0.1413786 -1.9165393 0.1847589 0.0897764 0.1462253 -2.6214851 17 O -2.0285701 -0.0388292 -0.1316709 -0.0489317 -2.0108332 -0.1813265 -0.1628592 -0.2283433 -2.3053422 18 O -1.9748650 0.1722505 0.1751184 0.1796770 -2.6264202 0.3951649 0.2012536 0.4078770 -1.7102792 19 O -1.9748650 -0.1722505 0.1751184 -0.1796770 -2.6264202 -0.3951649 0.2012536 -0.4078770 -1.7102792 20 O -2.0166501 -0.2690723 0.0566183 -0.2481009 -1.8716195 0.4223065 0.0744263 0.4595390 -2.5589304 21 O -2.0166501 -0.2690723 0.0566183 -0.2481009 -1.8716195 0.4223065 0.0744263 0.4595390 -2.5589304 22 O -2.0166501 0.2690723 0.0566183 0.2481009 -1.8716195 -0.4223065 0.0744263 -0.4595390 -2.5589304 23 O -1.9856656 -0.1185966 0.0583606 -0.1413786 -1.9165393 0.1847589 0.0897764 0.1462253 -2.6214851 24 O -2.0285701 0.0388292 -0.1316709 0.0489317 -2.0108332 0.1813265 -0.1628592 0.2283433 -2.3053422 25 O -1.9856656 0.1185966 0.0583606 0.1413786 -1.9165393 -0.1847589 0.0897764 -0.1462253 -2.6214851 26 O -2.0285701 -0.0388292 -0.1316709 -0.0489317 -2.0108332 -0.1813265 -0.1628592 -0.2283433 -2.3053422 27 O -1.9748650 0.1722505 0.1751184 0.1796770 -2.6264202 0.3951649 0.2012536 0.4078770 -1.7102792 28 O -2.0166501 0.2690723 0.0566183 0.2481009 -1.8716195 -0.4223065 0.0744263 -0.4595390 -2.5589304 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 8 8 6 ] 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: 0.56, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 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 1.391 ( 0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.665 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.597 ( 0.000 0.000 0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.053 ( 0.000 0.000 0.000) 0.000 8.597 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 10.494 ( 0.000 0.000 0.000) 0.000 10.670 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 11.476 ( 0.000 0.000 0.000) 0.000 11.782 ( 0.000 0.000 0.000) 0.000 12.013 ( 0.000 0.000 0.000) 0.000 12.243 ( 0.000 0.000 0.000) 0.000 12.993 ( 0.000 0.000 0.000) 0.000 13.451 ( 0.000 0.000 0.000) 0.000 13.913 ( 0.000 0.000 0.000) 0.000 14.068 ( 0.000 0.000 0.000) 0.000 14.329 ( 0.000 0.000 0.000) 0.000 14.570 ( 0.000 0.000 0.000) 0.000 14.766 ( 0.000 0.000 0.000) 0.000 14.788 ( 0.000 0.000 0.000) 0.000 15.198 ( 0.000 0.000 0.000) 0.000 15.205 ( 0.000 0.000 0.000) 0.000 15.830 ( 0.000 0.000 0.000) 0.000 16.243 ( 0.000 0.000 0.000) 0.000 16.605 ( 0.000 0.000 0.000) 0.000 24.230 ( 0.000 0.000 0.000) 0.000 24.288 ( 0.000 0.000 0.000) 0.000 24.312 ( 0.000 0.000 0.000) 0.000 24.372 ( 0.000 0.000 0.000) 0.000 25.437 ( 0.000 0.000 0.000) 0.000 25.703 ( 0.000 0.000 0.000) 0.000 25.902 ( 0.000 0.000 0.000) 0.000 25.956 ( 0.000 0.000 0.000) 0.000 26.516 ( 0.000 0.000 0.000) 0.000 26.545 ( 0.000 0.000 0.000) 0.000 26.603 ( 0.000 0.000 0.000) 0.000 27.036 ( 0.000 0.000 0.000) 0.000 28.136 ( 0.000 0.000 0.000) 0.000 28.341 ( 0.000 0.000 0.000) 0.000 28.607 ( 0.000 0.000 0.000) 0.000 29.842 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 7.751 -27.291 2.338) 28.467 0.656 ( 16.097 -26.081 -5.741) 31.182 1.215 ( 14.368 -47.214 3.027) 49.445 1.387 ( 2.861 -3.564 0.085) 4.571 1.426 ( -0.451 -0.611 -1.057) 1.301 2.245 ( -3.242 3.228 -0.771) 4.640 2.397 ( -1.695 -4.592 4.005) 6.324 2.709 ( -1.719 7.875 -0.741) 8.094 2.880 ( -1.471 -3.756 2.354) 4.670 2.899 ( 1.333 2.681 -0.439) 3.026 3.133 ( 1.034 -1.362 4.120) 4.461 3.269 ( -3.247 -0.232 -1.941) 3.790 3.430 ( -2.980 -4.882 1.553) 5.927 3.614 ( 6.234 3.650 -5.189) 8.895 3.804 ( -8.329 4.445 6.328) 11.365 3.856 ( -5.106 0.205 -4.632) 6.897 3.961 ( 4.689 -0.681 -2.177) 5.214 4.077 ( 4.380 5.439 0.801) 7.029 4.232 ( -3.436 -10.649 -0.368) 11.196 4.571 ( -3.536 -9.389 0.806) 10.066 4.838 ( 13.141 1.156 13.432) 18.827 4.958 ( 2.477 5.483 -5.078) 7.873 5.214 ( 0.648 -2.133 -0.890) 2.400 5.386 ( -4.231 -3.196 -1.835) 5.611 5.464 ( 3.680 2.420 -3.235) 5.464 5.506 ( -5.326 2.295 4.277) 7.206 5.679 ( -0.021 3.066 1.493) 3.410 5.720 ( 0.968 -5.154 -5.342) 7.486 5.879 ( 1.330 -2.439 0.844) 2.903 5.936 ( 8.316 4.248 -2.349) 9.629 6.230 ( 0.969 -2.741 0.390) 2.933 6.322 ( 2.120 4.362 -9.372) 10.553 6.341 ( 0.303 6.999 5.667) 9.011 6.592 ( 0.171 -5.659 -2.707) 6.275 6.706 ( 7.364 -3.841 4.588) 9.489 6.809 ( 1.201 -8.903 -3.492) 9.639 6.880 ( 0.095 1.718 1.948) 2.599 7.071 ( -0.627 1.477 0.785) 1.786 7.262 ( -7.955 -3.416 2.581) 9.034 7.449 ( 5.507 1.035 -3.582) 6.651 7.643 ( 1.641 -3.367 -0.804) 3.831 7.963 ( -4.883 1.869 0.251) 5.234 8.034 ( 2.947 2.765 0.900) 4.140 8.459 ( -4.200 7.304 -0.463) 8.439 8.742 ( -5.895 -5.139 4.573) 9.060 8.826 ( 5.825 5.112 -4.862) 9.148 9.007 ( -4.964 3.257 6.600) 8.878 9.225 ( -4.164 -0.207 -4.617) 6.220 10.451 ( -7.973 1.435 2.121) 8.374 10.671 ( 3.740 5.291 -1.774) 6.717 11.187 ( -8.704 -5.416 1.748) 10.400 11.443 ( 1.197 3.245 -1.942) 3.967 11.757 ( -1.504 1.942 -0.023) 2.457 11.999 ( 8.330 7.318 1.028) 11.136 12.283 ( 6.139 -1.707 -0.151) 6.373 13.351 ( -16.139 -8.820 -0.786) 18.409 13.690 ( 3.326 1.578 -2.904) 4.689 13.983 ( -5.382 -0.343 -2.927) 6.136 14.140 ( -2.182 12.025 -3.630) 12.749 14.604 ( 18.351 9.873 16.490) 26.574 14.628 ( 4.224 -2.277 0.822) 4.869 14.790 ( 0.335 -0.515 0.563) 0.834 14.903 ( 3.578 -5.957 3.588) 7.820 15.217 ( 1.681 -1.287 -7.476) 7.770 15.226 ( 0.311 -2.190 -1.894) 2.912 15.799 ( -0.988 2.714 -1.064) 3.078 16.264 ( -6.360 -3.110 -1.924) 7.336 16.610 ( 4.206 1.559 1.469) 4.720 24.210 ( -0.642 1.265 0.232) 1.437 24.289 ( -0.623 0.098 -0.650) 0.906 24.322 ( 1.588 -0.236 1.060) 1.923 24.398 ( -1.357 -1.205 -0.510) 1.885 25.463 ( 1.020 -1.639 -0.242) 1.946 25.735 ( 8.352 7.052 -1.167) 10.993 25.902 ( 0.427 0.627 -0.273) 0.806 25.982 ( 6.347 0.693 0.228) 6.389 26.459 ( -1.454 4.296 -0.694) 4.588 26.516 ( 2.432 3.566 2.359) 4.919 27.153 ( -1.499 -11.120 -1.838) 11.370 28.126 ( -15.144 -5.121 12.792) 20.475 28.192 ( -13.773 -7.371 22.660) 27.522 28.398 ( 6.061 -3.957 -33.495) 34.268 28.597 ( 1.677 1.834 -0.145) 2.490 29.870 ( -9.353 5.543 -0.312) 10.877 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 5.631 -19.884 1.071) 20.694 1.230 ( 13.808 -17.721 -5.481) 23.124 1.344 ( -3.784 -1.491 1.507) 4.338 1.460 ( 1.639 -7.294 -0.327) 7.483 2.071 ( 1.158 0.212 -3.697) 3.879 2.250 ( 9.757 -15.791 2.354) 18.711 2.451 ( -5.983 -9.061 3.733) 11.482 2.592 ( -0.345 -1.641 2.276) 2.827 2.838 ( -0.789 3.178 1.759) 3.717 2.943 ( -2.557 -3.430 2.377) 4.894 3.201 ( 4.327 -1.736 2.350) 5.221 3.308 ( -4.203 -3.371 2.195) 5.818 3.461 ( -1.210 -4.935 -2.484) 5.655 3.534 ( -12.797 11.529 3.701) 17.617 3.648 ( 8.637 0.699 -6.087) 10.589 3.858 ( -2.325 -2.332 1.122) 3.479 4.005 ( 6.072 -1.173 -4.627) 7.724 4.055 ( 6.079 -0.375 1.534) 6.281 4.432 ( -4.965 -10.048 0.186) 11.209 4.720 ( -2.010 -8.353 -0.225) 8.594 4.838 ( -1.456 3.517 0.665) 3.864 4.971 ( 9.198 -1.178 3.840) 10.037 5.251 ( -2.164 -0.542 0.620) 2.316 5.357 ( -0.560 1.885 -0.529) 2.036 5.408 ( -5.045 2.000 -3.606) 6.516 5.490 ( -0.201 1.108 -7.199) 7.287 5.642 ( -2.790 -3.721 5.289) 7.044 5.795 ( 1.061 -0.020 -2.414) 2.637 5.887 ( 7.353 3.047 0.413) 7.970 6.035 ( -0.058 -8.564 -3.023) 9.082 6.214 ( -0.435 3.797 4.363) 5.801 6.280 ( 3.271 0.276 -1.381) 3.561 6.316 ( 1.341 -1.329 -1.019) 2.146 6.677 ( -1.646 -3.009 2.116) 4.030 6.781 ( 1.100 2.225 -14.480) 14.692 6.887 ( 5.811 -5.582 3.325) 8.717 6.974 ( 3.350 -1.824 9.957) 10.662 7.094 ( 1.996 -2.654 -0.624) 3.379 7.276 ( -7.520 -6.721 6.715) 12.117 7.507 ( 4.304 -2.674 -6.127) 7.951 7.715 ( 0.811 -1.043 -1.457) 1.967 7.855 ( -4.400 3.064 3.194) 6.241 7.971 ( -2.350 4.949 -2.024) 5.840 8.304 ( -2.939 4.273 1.184) 5.320 8.684 ( 7.935 13.161 -2.786) 15.619 8.804 ( -3.650 -3.251 -7.232) 8.728 8.878 ( -2.473 6.346 10.982) 12.923 9.177 ( -3.418 1.985 -0.672) 4.009 10.310 ( -10.379 4.131 2.100) 11.367 10.621 ( 6.241 4.141 -1.871) 7.720 11.195 ( -13.792 -4.577 3.561) 14.961 11.389 ( 2.340 3.232 -3.245) 5.143 11.682 ( -3.564 3.492 -0.782) 5.051 11.878 ( 12.282 12.539 0.535) 17.560 12.437 ( 8.410 -6.258 0.695) 10.506 13.397 ( -5.770 -5.550 -0.633) 8.031 13.649 ( -7.885 3.018 -1.285) 8.540 13.891 ( 6.378 5.874 -1.398) 8.783 13.990 ( -1.895 1.060 -1.927) 2.903 14.617 ( 8.355 2.629 3.199) 9.325 14.670 ( 3.452 1.997 3.134) 5.072 14.848 ( 1.120 -4.706 0.564) 4.870 14.992 ( 1.646 -0.604 3.994) 4.362 15.253 ( 1.074 -1.887 -5.157) 5.595 15.282 ( -0.968 -3.281 1.412) 3.701 15.708 ( -2.305 4.848 -1.734) 5.641 16.271 ( -8.159 -4.612 -2.683) 9.748 16.617 ( 6.059 2.823 2.311) 7.072 24.183 ( -1.058 0.691 0.294) 1.297 24.283 ( 1.677 0.807 -0.358) 1.895 24.338 ( -1.209 -0.898 0.550) 1.603 24.407 ( -0.673 -0.637 -0.570) 1.088 25.513 ( 1.768 -1.994 -0.118) 2.667 25.675 ( 1.661 3.120 -0.940) 3.658 25.884 ( -0.351 1.103 -0.706) 1.356 26.017 ( 6.202 1.835 1.221) 6.582 26.368 ( -0.157 3.904 -0.325) 3.921 26.467 ( -0.222 2.444 0.723) 2.559 27.373 ( -0.661 -11.923 -2.110) 12.126 28.104 ( -10.769 -2.907 8.356) 13.938 28.261 ( -3.553 -5.505 7.101) 9.662 28.521 ( 2.916 -7.284 -11.908) 14.260 28.566 ( 3.311 3.149 -1.960) 4.972 29.616 ( -8.290 12.039 0.670) 14.633 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 2.220 2.754 1.430) 3.815 1.334 ( -4.328 -1.204 -0.571) 4.529 1.607 ( 4.065 -10.506 -5.103) 12.367 1.827 ( 6.504 -17.928 0.805) 19.088 1.987 ( -2.677 2.136 -1.164) 3.617 2.261 ( 4.072 -0.413 1.932) 4.526 2.676 ( -4.582 -6.473 3.978) 8.872 2.745 ( -2.099 2.404 3.277) 4.575 2.825 ( 6.208 -6.717 -1.571) 9.281 2.963 ( -1.253 1.076 -0.614) 1.762 3.153 ( -10.277 13.209 4.249) 17.267 3.231 ( -3.010 0.921 -1.594) 3.528 3.351 ( 5.014 -2.512 0.020) 5.608 3.590 ( 3.953 1.476 -1.854) 4.609 3.710 ( 1.873 -5.716 1.529) 6.206 3.879 ( -0.971 -1.051 -0.872) 1.676 4.157 ( 2.742 -7.252 1.561) 7.909 4.238 ( 8.652 -13.789 -0.753) 16.296 4.496 ( -3.689 -1.264 -4.612) 6.040 4.759 ( -2.189 -1.326 1.150) 2.805 4.892 ( 0.982 -5.570 0.146) 5.658 5.055 ( 4.488 0.580 1.473) 4.759 5.162 ( -5.982 3.303 3.671) 7.757 5.309 ( -3.840 2.993 -0.730) 4.923 5.378 ( -4.195 -0.971 0.120) 4.308 5.434 ( 3.669 1.888 -8.366) 9.328 5.673 ( -3.797 -0.934 3.466) 5.225 5.752 ( 2.501 4.061 -1.607) 5.033 5.908 ( 2.867 0.340 -1.116) 3.095 6.194 ( -0.441 -2.981 0.485) 3.053 6.221 ( 2.024 -6.317 -0.520) 6.654 6.295 ( 3.550 1.057 0.238) 3.712 6.355 ( 2.019 -1.445 0.116) 2.485 6.658 ( -3.575 0.491 -1.077) 3.766 6.791 ( 1.194 -0.780 -5.220) 5.412 6.924 ( 0.210 2.099 3.100) 3.750 7.087 ( 5.515 -3.934 5.443) 8.690 7.208 ( 2.588 -6.857 0.947) 7.390 7.398 ( -3.649 -7.697 5.269) 10.016 7.570 ( -1.098 -1.461 -8.323) 8.521 7.622 ( -1.534 5.895 2.079) 6.436 7.760 ( -4.339 6.851 -3.064) 8.669 7.943 ( -3.896 -8.634 3.592) 10.131 8.254 ( 0.187 0.948 2.012) 2.232 8.432 ( 10.527 18.699 -6.852) 22.526 8.760 ( -1.851 5.103 4.970) 7.359 8.846 ( 0.607 -2.796 -2.441) 3.761 9.082 ( -4.824 3.514 1.768) 6.225 10.159 ( -6.796 3.131 1.001) 7.550 10.605 ( 3.703 1.988 -1.035) 4.329 11.138 ( -10.201 -0.842 3.142) 10.707 11.362 ( 2.389 1.180 -2.828) 3.886 11.570 ( -2.648 4.333 -0.585) 5.111 11.789 ( 8.128 5.860 0.142) 10.021 12.628 ( 7.634 -5.295 1.069) 9.352 13.386 ( -4.999 4.300 -1.617) 6.789 13.529 ( -5.686 -2.184 -0.148) 6.093 13.933 ( 8.258 -0.454 -0.838) 8.313 13.971 ( -2.269 -0.920 -0.527) 2.505 14.639 ( 6.129 2.190 0.022) 6.509 14.655 ( -0.058 0.477 1.671) 1.738 14.919 ( -2.320 -0.595 2.178) 3.237 15.027 ( 3.970 -2.322 3.013) 5.498 15.291 ( 1.075 -1.516 -3.666) 4.110 15.318 ( -1.473 -1.357 0.608) 2.093 15.581 ( -3.005 5.094 -1.137) 6.022 16.293 ( -5.727 -3.978 -2.014) 7.258 16.611 ( 4.627 2.795 1.853) 5.715 24.167 ( -0.736 0.218 0.219) 0.798 24.288 ( 2.228 0.442 -0.147) 2.276 24.335 ( -2.204 -0.459 0.135) 2.255 24.411 ( -0.159 -0.226 -0.315) 0.419 25.554 ( 1.042 -0.631 0.079) 1.220 25.654 ( 0.980 0.048 -0.655) 1.180 25.855 ( -0.581 1.192 -0.460) 1.404 26.019 ( 3.476 2.199 1.262) 4.302 26.312 ( -0.336 1.602 -0.700) 1.780 26.429 ( -0.426 1.154 0.236) 1.253 27.565 ( 0.218 -7.750 -1.772) 7.953 28.076 ( -5.726 -0.880 4.645) 7.425 28.351 ( -2.646 -5.683 3.005) 6.952 28.511 ( 3.144 4.584 -0.456) 5.577 28.713 ( 3.927 -9.973 -6.696) 12.638 29.296 ( -7.289 13.456 1.539) 15.380 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.000 -0.000 -0.000) 0.000 1.315 ( 0.000 -0.000 0.000) 0.000 1.710 ( 0.000 -0.000 0.000) 0.000 1.914 ( 0.000 -0.000 0.000) 0.000 2.094 ( 0.000 -0.000 0.000) 0.000 2.375 ( 0.000 -0.000 0.000) 0.000 2.681 ( 0.000 -0.000 0.000) 0.000 2.753 ( 0.000 0.000 -0.000) 0.000 2.815 ( 0.000 -0.000 0.000) 0.000 2.941 ( -0.000 -0.000 0.000) 0.000 2.964 ( 0.000 -0.000 0.000) 0.000 3.211 ( 0.000 -0.000 0.000) 0.000 3.400 ( 0.000 -0.000 0.000) 0.000 3.589 ( 0.000 -0.000 -0.000) 0.000 3.782 ( -0.000 -0.000 0.000) 0.000 3.881 ( 0.000 -0.000 0.000) 0.000 4.256 ( 0.000 -0.000 0.000) 0.000 4.416 ( 0.000 0.000 -0.000) 0.000 4.548 ( 0.000 -0.000 0.000) 0.000 4.812 ( -0.000 0.000 0.000) 0.000 4.926 ( 0.000 -0.000 -0.000) 0.000 5.003 ( 0.000 -0.000 0.000) 0.000 5.152 ( 0.000 -0.000 0.000) 0.000 5.237 ( 0.000 -0.000 0.000) 0.000 5.305 ( 0.000 -0.000 0.000) 0.000 5.478 ( 0.000 -0.000 0.000) 0.000 5.663 ( 0.000 -0.000 0.000) 0.000 5.713 ( -0.000 -0.000 0.000) 0.000 5.914 ( 0.000 -0.000 -0.000) 0.000 6.215 ( 0.000 -0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.294 ( -0.000 -0.000 -0.000) 0.000 6.423 ( 0.000 -0.000 -0.000) 0.000 6.633 ( 0.000 -0.000 -0.000) 0.000 6.772 ( 0.000 -0.000 0.000) 0.000 6.920 ( 0.000 -0.000 0.000) 0.000 7.160 ( 0.000 -0.000 0.000) 0.000 7.375 ( 0.000 -0.000 0.000) 0.000 7.387 ( -0.000 0.000 -0.000) 0.000 7.525 ( 0.000 -0.000 0.000) 0.000 7.588 ( 0.000 -0.000 -0.000) 0.000 7.666 ( 0.000 -0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.159 ( -0.000 -0.000 0.000) 0.000 8.281 ( -0.000 -0.000 0.000) 0.000 8.694 ( 0.000 -0.000 0.000) 0.000 8.885 ( 0.000 -0.000 0.000) 0.000 9.014 ( 0.000 -0.000 0.000) 0.000 10.096 ( 0.000 -0.000 0.000) 0.000 10.602 ( 0.000 -0.000 0.000) 0.000 11.098 ( 0.000 -0.000 0.000) 0.000 11.366 ( 0.000 -0.000 -0.000) 0.000 11.507 ( 0.000 -0.000 0.000) 0.000 11.772 ( 0.000 -0.000 -0.000) 0.000 12.727 ( 0.000 -0.000 0.000) 0.000 13.291 ( 0.000 -0.000 0.000) 0.000 13.544 ( 0.000 -0.000 0.000) 0.000 13.963 ( 0.000 -0.000 0.000) 0.000 13.991 ( 0.000 -0.000 -0.000) 0.000 14.645 ( 0.000 -0.000 -0.000) 0.000 14.653 ( 0.000 0.000 0.000) 0.000 14.896 ( -0.000 -0.000 0.000) 0.000 15.093 ( 0.000 -0.000 0.000) 0.000 15.311 ( -0.000 -0.000 0.000) 0.000 15.321 ( 0.000 -0.000 -0.000) 0.000 15.504 ( 0.000 -0.000 0.000) 0.000 16.307 ( 0.000 -0.000 0.000) 0.000 16.603 ( 0.000 -0.000 -0.000) 0.000 24.162 ( 0.000 -0.000 0.000) 0.000 24.297 ( 0.000 -0.000 0.000) 0.000 24.327 ( -0.000 -0.000 0.000) 0.000 24.412 ( 0.000 -0.000 0.000) 0.000 25.562 ( 0.000 -0.000 0.000) 0.000 25.666 ( 0.000 -0.000 0.000) 0.000 25.838 ( 0.000 -0.000 0.000) 0.000 26.011 ( 0.000 -0.000 -0.000) 0.000 26.295 ( 0.000 -0.000 0.000) 0.000 26.416 ( 0.000 -0.000 -0.000) 0.000 27.645 ( 0.000 -0.000 0.000) 0.000 28.060 ( 0.000 -0.000 0.000) 0.000 28.425 ( 0.000 -0.000 -0.000) 0.000 28.451 ( 0.000 -0.000 0.000) 0.000 28.912 ( 0.000 -0.000 0.000) 0.000 29.043 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 27.888 0.000 6.014) 28.529 0.525 ( 28.152 0.000 9.570) 29.734 0.901 ( 52.192 0.000 -8.382) 52.861 1.392 ( -1.272 -0.000 2.208) 2.548 1.392 ( -2.622 -0.000 -2.151) 3.391 2.277 ( -1.611 -0.000 0.921) 1.856 2.341 ( -3.724 -0.000 7.514) 8.387 2.765 ( -3.276 -0.000 -3.599) 4.867 2.832 ( 0.485 0.000 5.036) 5.060 2.949 ( -4.241 -0.000 -2.905) 5.141 3.105 ( -3.865 -0.000 8.212) 9.076 3.261 ( 0.207 0.000 -3.564) 3.570 3.363 ( -0.252 -0.000 1.437) 1.459 3.694 ( 7.065 0.000 -8.414) 10.987 3.768 ( -9.722 -0.000 5.933) 11.389 3.786 ( -5.973 -0.000 -7.412) 9.520 3.967 ( 0.984 0.000 1.668) 1.937 4.090 ( 0.907 0.000 0.276) 0.948 4.231 ( 9.423 0.000 3.038) 9.901 4.456 ( 1.887 0.000 0.848) 2.068 4.874 ( -3.723 -0.000 4.006) 5.469 5.146 ( -7.163 -0.000 6.568) 9.718 5.226 ( 1.553 0.000 7.831) 7.983 5.322 ( -5.633 -0.000 -3.768) 6.777 5.399 ( -5.865 -0.000 2.765) 6.484 5.594 ( 0.932 0.000 -5.299) 5.380 5.616 ( -2.853 -0.000 -3.718) 4.686 5.681 ( 1.676 0.000 -0.532) 1.759 6.005 ( 7.494 0.000 1.204) 7.591 6.137 ( 1.947 0.000 -0.946) 2.164 6.210 ( 1.886 0.000 0.339) 1.916 6.457 ( 1.681 0.000 -10.289) 10.425 6.468 ( 1.724 0.000 0.793) 1.898 6.623 ( 1.972 0.000 -0.656) 2.078 6.654 ( 0.257 0.000 -0.751) 0.793 6.775 ( 12.416 0.000 5.457) 13.562 6.904 ( 1.939 0.000 -10.296) 10.477 7.098 ( -1.599 -0.000 0.273) 1.622 7.100 ( -1.456 -0.000 -2.343) 2.758 7.455 ( 2.359 0.000 -8.621) 8.938 7.632 ( 3.788 0.000 -0.483) 3.818 7.933 ( -5.690 -0.000 0.787) 5.744 8.106 ( 2.823 0.000 -0.456) 2.860 8.545 ( -4.665 -0.000 -1.230) 4.825 8.557 ( -10.084 -0.000 -2.312) 10.346 8.750 ( -11.279 -0.000 31.645) 33.595 9.011 ( 8.561 0.000 -17.523) 19.503 9.115 ( -1.982 -0.000 4.055) 4.513 10.370 ( -10.132 -0.000 1.161) 10.198 10.740 ( 4.742 0.000 -0.662) 4.788 11.101 ( -6.631 -0.000 0.994) 6.705 11.485 ( 1.184 0.000 -2.526) 2.789 11.772 ( -1.130 -0.000 1.122) 1.592 12.101 ( 10.089 0.000 -3.750) 10.763 12.412 ( 7.008 0.000 1.427) 7.152 13.001 ( 0.217 0.000 3.236) 3.243 13.785 ( 4.236 0.000 -9.030) 9.974 13.954 ( 3.430 0.000 2.122) 4.034 14.196 ( -9.350 -0.000 -7.910) 12.247 14.659 ( 6.031 0.000 1.046) 6.121 14.726 ( -5.059 -0.000 5.657) 7.589 14.798 ( 0.243 0.000 6.592) 6.596 15.094 ( -7.431 -0.000 70.210) 70.602 15.203 ( -0.527 -0.000 2.113) 2.178 15.295 ( 11.596 0.000 -69.133) 70.099 15.813 ( -1.736 -0.000 -1.905) 2.577 16.150 ( -8.770 -0.000 -1.498) 8.897 16.667 ( 5.484 0.000 0.729) 5.532 24.227 ( -0.409 -0.000 0.716) 0.825 24.260 ( -2.632 -0.000 -0.464) 2.673 24.354 ( 2.157 0.000 1.072) 2.409 24.366 ( -0.612 -0.000 -0.717) 0.943 25.457 ( 2.280 0.000 -0.252) 2.294 25.882 ( -1.885 -0.000 -1.934) 2.700 25.950 ( -0.696 -0.000 0.159) 0.714 26.341 ( 4.420 0.000 -25.037) 25.424 26.506 ( -1.271 -0.000 1.164) 1.723 26.620 ( 1.721 0.000 1.510) 2.290 27.032 ( -0.376 -0.000 -0.326) 0.498 27.331 ( -7.369 -0.000 54.686) 55.180 28.139 ( 0.329 0.000 0.286) 0.436 28.356 ( 3.390 0.000 -26.482) 26.698 28.633 ( 3.026 0.000 -0.517) 3.070 29.785 ( -6.523 -0.000 1.071) 6.610 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 18.062 -15.588 8.232) 25.238 1.018 ( 22.940 -17.087 -4.989) 29.037 1.330 ( -0.545 0.855 -1.912) 2.164 1.406 ( -0.976 -1.549 0.103) 1.834 1.765 ( 35.573 -34.880 -1.825) 49.854 2.186 ( -2.588 6.022 -0.218) 6.558 2.323 ( -8.720 -2.009 7.489) 11.669 2.646 ( -6.152 6.083 -1.890) 8.856 2.869 ( -5.566 2.672 2.196) 6.553 2.897 ( 4.350 -2.283 6.876) 8.451 3.101 ( -7.623 -5.317 5.139) 10.620 3.259 ( 3.110 0.074 -1.310) 3.376 3.387 ( -2.099 -1.699 2.237) 3.506 3.617 ( -10.576 6.136 2.000) 12.389 3.747 ( 9.613 0.164 -11.637) 15.095 3.791 ( -1.586 -2.697 -0.793) 3.227 3.998 ( 0.015 -1.064 -0.441) 1.152 4.176 ( -0.877 -6.650 -1.068) 6.792 4.228 ( 8.690 3.577 2.121) 9.634 4.567 ( 0.937 -6.807 2.083) 7.180 4.843 ( -6.579 -0.228 -2.685) 7.109 5.065 ( 2.418 2.200 7.110) 7.826 5.231 ( 0.812 0.408 -0.153) 0.922 5.270 ( -6.776 -3.146 -4.700) 8.826 5.359 ( -7.758 0.035 2.869) 8.272 5.550 ( -5.900 1.207 1.538) 6.215 5.600 ( 4.009 1.720 -2.550) 5.053 5.797 ( 4.021 -6.456 -4.334) 8.754 5.961 ( 7.169 7.678 -1.194) 10.573 6.054 ( 4.975 5.117 0.562) 7.159 6.258 ( 1.743 -2.351 0.155) 2.931 6.338 ( 2.698 7.719 2.078) 8.437 6.404 ( 4.300 7.229 -6.448) 10.598 6.610 ( 2.865 -3.704 -0.899) 4.768 6.792 ( 0.617 -6.227 -4.383) 7.640 6.871 ( 5.155 1.466 -8.443) 10.000 6.961 ( 9.491 -3.828 13.816) 17.193 7.070 ( 0.678 -1.657 0.738) 1.936 7.139 ( -6.960 -2.256 4.510) 8.595 7.504 ( 2.841 -1.330 -8.292) 8.866 7.692 ( 3.998 -2.033 -1.606) 4.765 7.871 ( -5.389 1.727 2.286) 6.103 8.057 ( -1.041 5.335 -2.097) 5.826 8.346 ( -7.353 5.040 -1.525) 9.044 8.628 ( -7.006 -7.209 2.045) 10.258 8.842 ( -8.315 -6.230 12.812) 16.495 8.960 ( 2.941 6.668 -4.654) 8.647 9.149 ( -3.744 -1.798 -2.622) 4.912 10.282 ( -9.747 1.337 2.844) 10.241 10.739 ( 3.152 3.680 -2.010) 5.246 11.024 ( -8.930 -0.772 2.116) 9.210 11.466 ( 1.915 2.565 -3.486) 4.733 11.724 ( -2.011 3.423 0.975) 4.088 12.187 ( 12.056 5.540 -1.018) 13.307 12.438 ( 10.245 -0.599 0.088) 10.263 13.157 ( -6.040 -11.322 2.566) 13.086 13.705 ( -0.501 7.490 -3.606) 8.328 13.995 ( -0.210 -0.285 -1.984) 2.015 14.063 ( 2.138 6.253 -4.914) 8.236 14.632 ( -1.523 0.556 3.424) 3.789 14.782 ( 1.182 -3.211 -0.068) 3.423 14.814 ( -0.134 1.106 10.123) 10.184 15.073 ( 7.056 4.043 21.737) 23.208 15.220 ( -0.665 -2.089 3.030) 3.740 15.246 ( 6.059 1.724 -24.459) 25.257 15.760 ( -2.879 3.028 -2.758) 5.006 16.107 ( -9.632 -3.713 -2.344) 10.586 16.707 ( 5.480 1.094 1.316) 5.741 24.195 ( -0.881 1.415 0.356) 1.704 24.273 ( -1.347 -1.962 0.012) 2.380 24.340 ( 0.072 1.398 -0.132) 1.406 24.384 ( 0.220 -0.982 -0.152) 1.018 25.499 ( 2.966 -1.624 -0.166) 3.386 25.792 ( -0.380 6.743 -2.061) 7.061 25.905 ( -0.098 1.905 -0.610) 2.003 26.172 ( 11.149 7.468 -3.304) 13.820 26.433 ( -1.385 2.485 0.366) 2.868 26.586 ( 4.486 9.135 3.989) 10.931 27.097 ( -3.867 -13.424 -3.213) 14.334 27.767 ( -18.369 -20.948 20.302) 34.473 28.170 ( -0.000 -2.775 1.441) 3.127 28.401 ( 2.023 -5.003 -16.067) 16.950 28.648 ( 4.359 1.797 -0.817) 4.786 29.687 ( -10.999 4.348 1.128) 11.881 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -1.483 -5.830 3.047) 6.743 1.308 ( 3.236 -1.892 0.352) 3.765 1.424 ( 8.252 -11.221 -4.694) 14.698 1.600 ( 16.311 -14.916 -1.681) 22.167 2.009 ( -3.954 5.152 -2.153) 6.842 2.256 ( -9.788 0.461 3.302) 10.341 2.522 ( -8.092 -1.711 3.840) 9.119 2.638 ( 18.597 -17.932 1.048) 25.855 2.802 ( -0.937 -2.217 0.422) 2.443 2.976 ( 5.502 -0.333 7.180) 9.052 3.139 ( -13.644 -3.712 1.394) 14.209 3.307 ( 2.724 -0.663 0.486) 2.846 3.337 ( -2.361 4.527 2.936) 5.890 3.504 ( 1.962 -5.991 1.545) 6.491 3.743 ( 2.813 3.910 -12.079) 13.004 3.856 ( 0.855 0.641 4.801) 4.918 4.047 ( 3.149 -6.389 -1.760) 7.338 4.233 ( 10.947 0.223 -0.763) 10.976 4.362 ( -1.404 -9.054 -0.702) 9.189 4.680 ( -3.255 -3.899 -1.553) 5.311 4.815 ( -0.679 -3.424 -1.405) 3.763 5.097 ( 2.821 -0.118 6.308) 6.911 5.180 ( -8.654 2.216 0.743) 8.964 5.247 ( -6.357 -1.804 -5.465) 8.575 5.340 ( -0.369 -0.522 -0.327) 0.718 5.496 ( -8.224 -1.233 2.871) 8.798 5.594 ( 4.666 2.348 -1.978) 5.585 5.841 ( 3.811 4.485 -3.602) 6.900 6.001 ( 4.089 0.170 0.282) 4.103 6.019 ( 0.986 -4.837 -4.107) 6.421 6.249 ( 1.671 3.000 3.396) 4.830 6.314 ( 1.646 -1.421 2.058) 2.994 6.363 ( 3.159 1.086 -1.752) 3.772 6.663 ( 1.266 0.242 -0.195) 1.303 6.792 ( 3.191 0.182 -10.998) 11.453 6.948 ( 0.733 -0.018 -0.033) 0.733 7.116 ( 0.748 -4.750 2.623) 5.478 7.126 ( 6.126 -0.743 8.542) 10.538 7.201 ( -0.170 -9.252 7.050) 11.634 7.530 ( 1.008 -0.597 -7.318) 7.411 7.712 ( -0.565 3.183 -1.951) 3.776 7.824 ( 0.202 -0.453 3.767) 3.799 7.876 ( -6.912 7.371 -3.834) 10.808 8.248 ( -4.278 0.799 1.225) 4.521 8.708 ( -6.664 -5.638 4.748) 9.937 8.812 ( 6.527 11.770 -5.492) 14.535 8.857 ( -0.828 0.753 1.094) 1.565 9.096 ( -5.483 2.063 0.963) 5.937 10.162 ( -6.660 3.263 3.008) 8.003 10.675 ( -0.301 3.252 -1.797) 3.728 10.989 ( -8.925 -3.061 2.126) 9.672 11.425 ( 2.516 2.861 -3.220) 4.988 11.619 ( -3.259 4.883 0.980) 5.952 12.087 ( 11.015 12.533 -0.343) 16.689 12.611 ( 10.658 -5.190 0.336) 11.860 13.310 ( -4.496 -9.192 2.480) 10.529 13.501 ( -7.316 8.484 -3.364) 11.697 13.952 ( -0.346 0.905 -4.112) 4.225 14.053 ( 10.143 3.033 0.244) 10.589 14.633 ( -1.036 -1.122 -1.085) 1.874 14.760 ( -0.820 4.400 7.632) 8.848 14.865 ( 0.450 -3.700 0.080) 3.729 15.096 ( 7.808 2.996 9.700) 12.807 15.261 ( 1.989 -1.519 -9.827) 10.141 15.267 ( -1.014 -2.674 2.074) 3.533 15.647 ( -3.934 4.891 -2.439) 6.734 16.123 ( -7.700 -6.073 -2.269) 10.066 16.718 ( 4.716 2.783 1.489) 5.675 24.171 ( -0.243 0.629 0.304) 0.740 24.296 ( -2.002 -1.541 0.240) 2.538 24.317 ( 0.835 0.996 -0.469) 1.382 24.398 ( -0.400 -0.606 -0.196) 0.752 25.557 ( 3.026 -1.295 0.144) 3.295 25.688 ( 0.129 3.472 -1.099) 3.644 25.871 ( -0.896 1.299 -1.120) 1.935 26.150 ( 7.754 4.933 0.702) 9.217 26.363 ( -0.269 4.072 -0.512) 4.113 26.466 ( -0.151 4.197 1.328) 4.405 27.349 ( -1.290 -13.886 -2.879) 14.240 27.920 ( -11.039 -8.823 10.425) 17.561 28.239 ( -0.909 -4.357 1.956) 4.862 28.536 ( 1.773 -8.357 -7.786) 11.559 28.637 ( 5.338 3.210 -2.413) 6.680 29.448 ( -10.715 9.857 1.532) 14.640 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -5.296 0.309 -0.239) 5.310 1.343 ( 3.334 0.155 0.932) 3.466 1.692 ( 5.813 -5.165 -4.213) 8.844 1.886 ( -1.567 -1.518 -0.137) 2.186 2.006 ( 6.800 -7.545 -0.592) 10.175 2.300 ( 1.231 -9.768 2.145) 10.077 2.552 ( -8.660 -7.016 2.951) 11.530 2.689 ( -5.792 1.894 1.902) 6.384 2.834 ( -13.708 1.692 3.431) 14.232 3.010 ( 4.759 3.721 1.002) 6.124 3.047 ( 8.783 4.845 -0.679) 10.053 3.240 ( 1.936 1.803 -0.348) 2.668 3.467 ( 7.253 -1.785 -2.239) 7.797 3.599 ( -2.018 3.868 0.085) 4.363 3.737 ( 0.223 -4.643 1.309) 4.829 3.849 ( -2.205 -1.617 -0.641) 2.808 4.238 ( 5.497 -6.346 2.924) 8.890 4.365 ( 6.516 -4.102 -3.552) 8.479 4.525 ( 8.060 -5.582 -2.984) 10.249 4.735 ( 0.947 -7.092 -3.940) 8.168 4.904 ( -1.162 -2.643 -0.594) 2.947 5.028 ( -8.681 0.285 6.283) 10.720 5.127 ( 2.385 2.691 2.933) 4.640 5.270 ( -1.940 -3.899 -0.849) 4.437 5.318 ( -2.137 1.790 -1.532) 3.181 5.407 ( -7.002 1.611 -0.042) 7.185 5.584 ( -3.485 -0.748 0.928) 3.683 5.787 ( 2.158 3.693 -2.512) 4.961 5.958 ( 2.497 3.608 -3.944) 5.900 6.187 ( 0.026 -7.080 -0.729) 7.117 6.229 ( -1.042 -0.177 -0.576) 1.204 6.316 ( -1.502 1.264 1.077) 2.239 6.404 ( 2.867 -1.389 2.505) 4.053 6.698 ( 8.098 0.634 -0.082) 8.123 6.772 ( -2.074 1.225 -3.690) 4.406 6.943 ( 1.552 1.006 -1.559) 2.418 7.157 ( -0.669 -2.330 2.947) 3.816 7.267 ( 1.758 -6.698 5.827) 9.050 7.380 ( 1.784 -4.133 1.840) 4.863 7.522 ( -0.916 -0.318 -5.390) 5.477 7.631 ( 2.787 3.891 1.939) 5.164 7.694 ( -2.620 3.776 -5.024) 6.809 7.884 ( -3.391 -4.482 5.633) 7.957 8.207 ( -6.317 -0.477 1.199) 6.447 8.576 ( 5.674 15.862 -4.271) 17.380 8.711 ( -1.431 1.416 -1.156) 2.322 8.870 ( 0.900 -0.469 0.558) 1.158 9.019 ( -2.590 1.075 1.459) 3.161 10.087 ( -1.416 0.292 1.829) 2.332 10.614 ( -2.866 1.484 -1.071) 3.401 10.998 ( -5.835 -4.764 1.708) 7.724 11.398 ( 2.247 1.941 -1.698) 3.420 11.503 ( -3.697 3.234 0.417) 4.929 11.946 ( 8.392 10.470 -0.412) 13.425 12.752 ( 5.576 -0.248 0.492) 5.603 13.314 ( -2.426 3.543 -3.096) 5.293 13.443 ( -4.100 -7.471 3.073) 9.059 13.939 ( -1.080 0.204 -1.661) 1.992 14.084 ( 8.895 3.033 -0.814) 9.433 14.634 ( -1.872 0.341 -6.065) 6.357 14.673 ( -3.367 2.320 8.367) 9.312 14.907 ( 1.019 -0.344 -0.175) 1.090 15.126 ( 5.383 1.579 5.689) 7.990 15.295 ( -0.363 -1.390 -1.412) 2.014 15.306 ( 0.989 -1.720 -2.971) 3.573 15.524 ( -3.044 3.332 -0.594) 4.552 16.195 ( -4.772 -7.039 -1.472) 8.631 16.683 ( 3.149 4.483 1.014) 5.572 24.166 ( 0.658 0.149 0.197) 0.703 24.283 ( -2.813 -0.056 -0.207) 2.822 24.330 ( 1.795 -0.455 0.002) 1.852 24.403 ( -0.745 -0.515 -0.096) 0.910 25.583 ( 2.033 0.988 0.045) 2.261 25.658 ( -0.353 -0.078 -0.326) 0.487 25.840 ( -0.918 0.669 -0.786) 1.381 26.094 ( 4.199 6.123 1.453) 7.566 26.303 ( -0.430 1.216 -0.980) 1.620 26.422 ( -0.458 0.825 0.356) 1.008 27.563 ( 0.069 -8.366 -1.825) 8.563 27.990 ( -4.944 -5.216 4.628) 8.549 28.320 ( -1.545 -4.756 1.170) 5.136 28.575 ( 4.032 5.059 -0.264) 6.475 28.764 ( 3.678 -11.257 -5.701) 13.143 29.160 ( -8.426 10.742 2.330) 13.850 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -3.277 -1.866 -1.074) 3.921 1.381 ( 3.890 -0.085 0.820) 3.977 1.738 ( 3.687 2.148 1.439) 4.503 1.933 ( 2.033 -4.160 -1.567) 4.888 2.074 ( -2.847 6.127 1.444) 6.909 2.255 ( -10.240 9.986 -2.784) 14.572 2.634 ( -2.678 -5.633 -0.004) 6.238 2.756 ( -4.452 -6.799 2.316) 8.450 2.797 ( 0.063 -8.998 5.433) 10.511 2.958 ( 7.505 4.688 -2.882) 9.306 3.099 ( 6.512 -1.535 -1.296) 6.815 3.250 ( 4.082 -0.317 0.911) 4.195 3.376 ( -1.069 6.241 -5.911) 8.662 3.577 ( -3.389 2.296 4.052) 5.760 3.733 ( -2.986 1.492 -1.423) 3.628 3.857 ( -2.832 -2.292 1.832) 4.078 4.255 ( 0.825 5.279 -3.927) 6.631 4.505 ( 6.383 -4.439 7.472) 10.783 4.556 ( 3.008 13.605 -3.735) 14.426 4.781 ( -3.048 3.317 -5.465) 7.082 4.984 ( 5.359 -2.833 1.097) 6.160 5.024 ( 1.306 1.154 2.566) 3.102 5.126 ( -2.399 -5.104 -0.075) 5.640 5.252 ( -0.693 -0.198 2.370) 2.477 5.338 ( 4.462 -2.569 1.356) 5.324 5.434 ( -3.727 -7.694 0.841) 8.590 5.586 ( -6.879 -4.741 -0.952) 8.408 5.708 ( -0.709 4.618 -0.821) 4.744 5.913 ( -0.210 1.307 -2.864) 3.156 6.203 ( -0.471 0.494 -2.868) 2.948 6.253 ( -3.550 0.456 2.799) 4.544 6.309 ( 0.517 -1.545 -0.195) 1.641 6.383 ( -2.260 4.962 1.417) 5.634 6.704 ( 4.598 0.142 5.139) 6.897 6.816 ( 4.966 -0.000 -3.273) 5.947 6.890 ( -2.370 2.095 -4.011) 5.108 7.167 ( 0.218 3.798 0.341) 3.820 7.317 ( -2.654 6.018 -1.060) 6.662 7.437 ( 2.608 -7.474 0.542) 7.935 7.539 ( 1.757 0.699 -1.265) 2.275 7.646 ( -1.651 0.281 0.481) 1.742 7.701 ( 10.290 -3.825 2.194) 11.195 7.984 ( -8.663 -12.369 4.195) 15.673 8.127 ( -8.778 2.623 0.804) 9.197 8.329 ( 5.086 12.073 -2.984) 13.436 8.700 ( 1.266 -0.797 -3.633) 3.929 8.854 ( -3.091 -0.176 3.037) 4.337 9.051 ( 3.089 -3.374 -1.303) 4.756 10.138 ( 4.037 -3.789 0.636) 5.573 10.564 ( -3.729 0.727 -0.394) 3.819 11.098 ( -0.047 -8.573 0.175) 8.575 11.361 ( -0.692 2.254 1.580) 2.838 11.469 ( -2.571 -2.344 -1.159) 3.667 11.829 ( 4.662 7.540 -0.146) 8.867 12.691 ( -3.106 6.324 -0.610) 7.071 13.346 ( 5.521 -4.521 -1.057) 7.214 13.530 ( -2.197 -3.844 2.817) 5.248 13.903 ( -3.274 1.770 -0.471) 3.751 14.067 ( 5.286 4.748 -0.830) 7.154 14.563 ( -6.571 0.798 -1.605) 6.811 14.657 ( -0.467 0.021 2.205) 2.254 14.931 ( 2.923 -0.845 -2.339) 3.838 15.085 ( -0.838 5.296 1.138) 5.481 15.303 ( -0.619 0.145 1.288) 1.437 15.338 ( 1.311 -0.581 -0.752) 1.619 15.515 ( 1.022 -3.360 0.283) 3.523 16.297 ( -0.908 -6.004 -0.102) 6.073 16.608 ( 0.439 4.788 -0.099) 4.810 24.175 ( 1.448 0.031 -0.018) 1.448 24.260 ( -2.751 -0.234 -0.067) 2.762 24.353 ( 1.667 -0.224 -0.073) 1.684 24.407 ( -0.591 -0.504 0.157) 0.792 25.573 ( 1.270 1.248 -0.126) 1.785 25.648 ( -1.826 0.408 0.185) 1.880 25.837 ( 0.009 -0.854 -0.213) 0.880 26.020 ( 0.738 3.436 0.196) 3.520 26.296 ( 0.099 -0.440 -0.060) 0.455 26.416 ( -0.026 -0.358 0.064) 0.365 27.643 ( -0.148 0.146 0.113) 0.237 28.062 ( 0.208 -4.162 -0.087) 4.168 28.397 ( -1.565 -4.531 0.431) 4.813 28.493 ( 2.992 6.197 -1.211) 6.988 28.872 ( -3.457 8.806 1.520) 9.581 29.072 ( 2.239 -13.103 -0.780) 13.316 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -1.391 -3.064 -0.600) 3.418 1.367 ( -0.766 4.362 0.692) 4.483 1.623 ( 3.770 16.851 1.510) 17.334 1.747 ( -2.313 21.376 0.217) 21.502 1.987 ( -3.325 -5.766 1.229) 6.768 2.187 ( -1.675 -8.149 -2.082) 8.576 2.672 ( -1.050 3.089 -2.063) 3.860 2.775 ( 1.046 -0.087 -1.214) 1.605 2.788 ( -0.196 11.057 1.607) 11.175 3.025 ( 3.589 0.325 1.006) 3.742 3.188 ( -1.050 -0.902 -2.071) 2.491 3.255 ( 0.153 -4.351 0.887) 4.443 3.414 ( 3.875 -5.324 -2.534) 7.055 3.518 ( -0.152 -3.003 2.429) 3.865 3.662 ( -3.557 2.160 -1.391) 4.388 3.887 ( -0.156 -1.003 1.426) 1.751 4.114 ( -3.929 17.794 -0.936) 18.246 4.149 ( 0.704 11.428 0.656) 11.469 4.598 ( 4.692 2.329 1.884) 5.567 4.765 ( -0.525 -3.040 -3.444) 4.624 4.909 ( 2.601 8.034 1.000) 8.503 4.973 ( -4.450 5.008 -0.209) 6.702 5.217 ( 3.174 -4.687 -4.314) 7.117 5.299 ( -6.253 -4.355 7.566) 10.739 5.448 ( 3.476 3.577 -0.012) 4.988 5.494 ( 8.251 -1.601 1.965) 8.631 5.653 ( -4.319 -6.226 -5.093) 9.130 5.679 ( -4.839 -3.739 3.180) 6.892 5.898 ( 0.564 0.590 -0.813) 1.152 6.166 ( -1.808 3.637 -1.446) 4.312 6.214 ( -0.401 2.829 2.717) 3.943 6.234 ( -1.555 2.037 -0.879) 2.709 6.340 ( -0.322 0.466 -0.159) 0.589 6.760 ( 4.610 3.327 -2.828) 6.350 6.782 ( 0.443 0.692 9.366) 9.402 6.897 ( -2.375 -4.372 -6.505) 8.189 7.012 ( -1.376 10.155 -1.279) 10.328 7.168 ( -1.581 6.316 0.094) 6.511 7.463 ( 4.518 6.063 -5.209) 9.182 7.570 ( -2.936 5.847 6.542) 9.252 7.642 ( 0.890 -7.966 -0.595) 8.038 7.870 ( 6.881 -2.014 -0.470) 7.185 7.962 ( -1.875 4.010 -0.369) 4.442 8.235 ( 0.117 -3.690 -2.607) 4.520 8.285 ( -6.842 -18.186 4.992) 20.062 8.745 ( -0.922 -4.470 -1.876) 4.934 8.865 ( 0.992 -0.904 0.364) 1.391 9.151 ( 2.613 -3.480 -0.799) 4.425 10.287 ( 6.439 -6.552 -0.296) 9.191 10.519 ( -5.143 -0.088 0.446) 5.164 11.306 ( 7.209 -5.733 -3.619) 9.896 11.345 ( 2.414 -1.916 2.162) 3.765 11.507 ( -9.396 -7.315 2.363) 12.140 11.744 ( 1.563 3.491 -0.695) 3.888 12.516 ( -3.960 7.582 -0.598) 8.575 13.485 ( 5.215 -0.568 -0.174) 5.249 13.598 ( 0.670 -7.512 1.950) 7.790 13.815 ( -4.191 3.172 -0.086) 5.257 14.030 ( 3.525 2.292 -0.162) 4.208 14.496 ( -6.917 0.151 -0.986) 6.989 14.657 ( 0.038 -0.202 -0.011) 0.206 14.943 ( 0.715 5.143 -1.891) 5.526 14.984 ( -0.663 -0.092 0.082) 0.674 15.284 ( -0.373 1.384 1.290) 1.929 15.339 ( 0.789 1.560 -0.261) 1.768 15.623 ( 1.251 -5.604 0.608) 5.774 16.397 ( 5.311 -1.445 2.244) 5.944 16.519 ( -4.966 1.469 -2.250) 5.646 24.187 ( 1.307 0.034 -0.167) 1.318 24.249 ( -1.865 -0.879 0.134) 2.066 24.362 ( 0.725 0.546 -0.228) 0.936 24.414 ( 0.102 -0.364 0.305) 0.486 25.548 ( 0.177 2.284 -0.097) 2.293 25.631 ( -1.311 -0.762 0.374) 1.562 25.863 ( 0.173 -1.400 0.126) 1.416 25.977 ( -1.093 0.996 -0.486) 1.557 26.317 ( 0.125 -1.673 0.249) 1.696 26.434 ( 0.182 -1.393 -0.071) 1.407 27.565 ( -0.123 7.340 0.715) 7.376 28.143 ( 2.452 -2.760 -1.701) 4.065 28.390 ( 2.206 5.847 -2.972) 6.920 28.472 ( -1.379 -4.142 0.556) 4.401 28.670 ( -2.205 8.998 3.830) 10.025 29.388 ( 2.988 -15.751 -0.505) 16.039 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -0.000 22.710 -0.000) 22.710 1.117 ( -0.000 22.691 -0.000) 22.691 1.377 ( -0.000 2.239 -0.000) 2.239 1.459 ( -0.000 4.936 -0.000) 4.936 1.996 ( -0.000 20.799 -0.000) 20.799 2.218 ( -0.000 3.341 -0.000) 3.341 2.536 ( -0.000 8.255 -0.000) 8.255 2.558 ( 0.000 -2.490 0.000) 2.490 2.835 ( 0.000 -3.251 0.000) 3.251 2.979 ( -0.000 4.594 -0.000) 4.594 3.147 ( -0.000 1.483 -0.000) 1.483 3.366 ( -0.000 6.881 -0.000) 6.881 3.441 ( 0.000 -9.664 0.000) 9.664 3.566 ( -0.000 5.496 -0.000) 5.496 3.734 ( 0.000 -8.942 0.000) 8.942 3.858 ( 0.000 -1.239 0.000) 1.239 3.885 ( -0.000 0.922 -0.000) 0.922 4.038 ( -0.000 3.659 -0.000) 3.659 4.487 ( -0.000 10.968 -0.000) 10.968 4.779 ( -0.000 8.264 -0.000) 8.264 4.802 ( -0.000 3.868 -0.000) 3.868 4.867 ( 0.000 -3.795 0.000) 3.795 5.275 ( -0.000 3.697 -0.000) 3.697 5.339 ( 0.000 -4.976 0.000) 4.976 5.430 ( 0.000 -4.993 0.000) 4.993 5.573 ( -0.000 5.853 -0.000) 5.853 5.656 ( -0.000 0.206 -0.000) 0.206 5.735 ( 0.000 -7.174 0.000) 7.174 5.840 ( -0.000 5.740 -0.000) 5.740 6.037 ( -0.000 7.810 -0.000) 7.810 6.229 ( 0.000 -4.636 0.000) 4.636 6.242 ( 0.000 -1.412 0.000) 1.412 6.306 ( -0.000 2.287 -0.000) 2.287 6.687 ( -0.000 4.297 -0.000) 4.297 6.800 ( -0.000 9.094 -0.000) 9.094 6.822 ( 0.000 -2.605 0.000) 2.605 6.936 ( -0.000 1.577 -0.000) 1.577 7.074 ( -0.000 2.413 -0.000) 2.413 7.386 ( -0.000 4.667 -0.000) 4.667 7.424 ( -0.000 4.351 -0.000) 4.351 7.708 ( -0.000 2.606 -0.000) 2.606 7.906 ( 0.000 -4.942 0.000) 4.942 7.981 ( 0.000 -1.694 0.000) 1.694 8.337 ( 0.000 -6.955 0.000) 6.955 8.602 ( 0.000 -14.030 0.000) 14.030 8.861 ( -0.000 2.589 -0.000) 2.589 8.874 ( 0.000 -9.107 0.000) 9.107 9.209 ( 0.000 -1.703 0.000) 1.703 10.480 ( -0.000 0.010 -0.000) 0.010 10.490 ( 0.000 -9.254 0.000) 9.254 11.354 ( -0.000 6.248 -0.000) 6.248 11.369 ( 0.000 -3.337 0.000) 3.337 11.720 ( 0.000 -15.964 0.000) 15.964 11.732 ( 0.000 -1.137 0.000) 1.137 12.354 ( -0.000 6.822 -0.000) 6.822 13.467 ( -0.000 2.252 -0.000) 2.252 13.710 ( -0.000 2.404 -0.000) 2.404 13.860 ( 0.000 -13.674 0.000) 13.674 14.031 ( 0.000 -0.126 0.000) 0.126 14.447 ( -0.000 0.374 -0.000) 0.374 14.660 ( -0.000 0.376 -0.000) 0.376 14.837 ( -0.000 4.548 -0.000) 4.548 14.979 ( -0.000 1.960 -0.000) 1.960 15.250 ( -0.000 1.968 -0.000) 1.968 15.289 ( -0.000 3.623 -0.000) 3.623 15.731 ( 0.000 -4.735 0.000) 4.735 16.374 ( -0.000 5.095 -0.000) 5.095 16.533 ( 0.000 -4.071 0.000) 4.071 24.196 ( 0.000 -0.497 0.000) 0.497 24.265 ( 0.000 -1.444 0.000) 1.444 24.345 ( -0.000 1.434 -0.000) 1.434 24.417 ( -0.000 0.239 -0.000) 0.239 25.498 ( -0.000 2.472 -0.000) 2.472 25.654 ( 0.000 -1.829 0.000) 1.829 25.888 ( 0.000 -1.011 0.000) 1.011 25.958 ( -0.000 0.230 -0.000) 0.230 26.369 ( 0.000 -3.888 0.000) 3.888 26.468 ( 0.000 -1.905 0.000) 1.905 27.382 ( -0.000 11.189 -0.000) 11.189 28.182 ( -0.000 0.389 -0.000) 0.389 28.314 ( -0.000 2.602 -0.000) 2.602 28.501 ( -0.000 7.435 -0.000) 7.435 28.539 ( 0.000 -3.219 0.000) 3.219 29.697 ( 0.000 -14.054 0.000) 14.054 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 24.316 0.000 6.719) 25.227 1.014 ( 24.792 0.000 7.395) 25.871 1.330 ( -2.112 -0.000 -3.675) 4.239 1.374 ( -0.889 -0.000 1.831) 2.035 1.753 ( 46.749 0.000 -8.746) 47.560 2.231 ( -10.037 -0.000 7.256) 12.385 2.254 ( -0.230 -0.000 1.783) 1.798 2.644 ( -8.916 -0.000 -6.639) 11.116 2.853 ( -6.378 -0.000 2.140) 6.728 2.911 ( -6.164 -0.000 2.054) 6.497 2.983 ( -0.362 -0.000 14.013) 14.017 3.284 ( 2.822 0.000 1.032) 3.005 3.368 ( 0.451 0.000 2.084) 2.132 3.616 ( -8.606 -0.000 4.462) 9.694 3.711 ( 0.551 0.000 -4.925) 4.955 3.813 ( 7.228 0.000 -16.710) 18.206 3.947 ( -3.924 -0.000 2.017) 4.412 4.102 ( 1.668 0.000 0.102) 1.671 4.410 ( 9.177 0.000 3.007) 9.657 4.476 ( -3.136 -0.000 3.439) 4.654 4.749 ( -7.941 -0.000 -4.857) 9.308 5.052 ( -4.363 -0.000 3.879) 5.838 5.179 ( -9.027 -0.000 -1.831) 9.210 5.300 ( -5.322 -0.000 -2.410) 5.842 5.305 ( 4.946 0.000 5.315) 7.261 5.481 ( -9.034 -0.000 -0.155) 9.035 5.608 ( 1.647 0.000 -1.429) 2.181 5.787 ( 7.811 0.000 -2.442) 8.184 6.144 ( 6.552 0.000 1.671) 6.761 6.166 ( 2.737 0.000 -2.052) 3.421 6.248 ( 2.098 0.000 0.473) 2.151 6.484 ( 2.914 0.000 -5.761) 6.456 6.516 ( 3.019 0.000 2.768) 4.096 6.662 ( 2.678 0.000 -2.338) 3.555 6.669 ( 2.227 0.000 0.323) 2.251 6.911 ( 1.139 0.000 -6.160) 6.265 7.029 ( 10.578 0.000 10.556) 14.944 7.055 ( -3.449 -0.000 0.271) 3.460 7.066 ( 0.233 0.000 1.191) 1.214 7.482 ( 4.325 0.000 -16.008) 16.582 7.712 ( 5.184 0.000 -1.973) 5.547 7.841 ( -4.942 -0.000 2.761) 5.661 8.126 ( -0.091 -0.000 -2.398) 2.399 8.342 ( -11.344 -0.000 -9.263) 14.645 8.473 ( -2.831 -0.000 1.224) 3.085 8.620 ( -12.249 -0.000 23.807) 26.773 9.045 ( -7.086 -0.000 3.495) 7.901 9.092 ( 4.376 0.000 -6.925) 8.192 10.219 ( -7.036 -0.000 2.546) 7.482 10.801 ( 2.763 0.000 -1.780) 3.287 10.976 ( -7.126 -0.000 0.695) 7.160 11.500 ( 1.368 0.000 -3.218) 3.497 11.753 ( -1.330 -0.000 1.732) 2.184 12.314 ( 14.791 0.000 -5.053) 15.630 12.555 ( 8.019 0.000 1.287) 8.122 13.005 ( -1.477 -0.000 5.813) 5.998 13.855 ( 5.741 0.000 -5.933) 8.256 13.898 ( -10.518 -0.000 -3.736) 11.162 14.168 ( 9.206 0.000 -2.668) 9.585 14.633 ( -6.890 -0.000 5.871) 9.052 14.731 ( 2.579 0.000 -3.284) 4.176 14.821 ( -1.034 -0.000 11.657) 11.703 15.144 ( -0.389 -0.000 19.649) 19.653 15.198 ( -0.724 -0.000 3.080) 3.163 15.341 ( 7.009 0.000 -20.938) 22.080 15.761 ( -3.398 -0.000 -3.506) 4.883 15.978 ( -9.554 -0.000 -1.884) 9.737 16.762 ( 4.747 0.000 0.561) 4.780 24.218 ( -1.972 -0.000 -0.542) 2.045 24.223 ( -0.255 -0.000 1.190) 1.217 24.347 ( -1.177 -0.000 -1.210) 1.688 24.388 ( 1.390 0.000 0.698) 1.555 25.511 ( 3.861 0.000 0.214) 3.867 25.830 ( -3.278 -0.000 -3.124) 4.528 25.935 ( -0.995 -0.000 0.250) 1.026 26.359 ( 2.921 0.000 -11.437) 11.804 26.481 ( -1.937 -0.000 2.068) 2.834 26.664 ( 2.545 0.000 2.110) 3.306 27.021 ( -0.713 -0.000 -0.559) 0.906 27.344 ( -2.434 -0.000 22.180) 22.313 28.148 ( 0.506 0.000 0.451) 0.678 28.345 ( 0.866 0.000 -10.936) 10.970 28.708 ( 5.762 0.000 -0.936) 5.837 29.634 ( -10.674 -0.000 1.682) 10.805 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 6.423 -2.920 6.388) 9.518 1.279 ( 9.497 -4.688 0.002) 10.591 1.346 ( 4.982 -2.224 -1.603) 5.686 1.511 ( 17.594 -10.679 0.266) 20.583 2.109 ( -1.141 3.794 -0.843) 4.051 2.141 ( -8.774 0.868 2.424) 9.144 2.468 ( 14.843 -11.010 -0.999) 18.508 2.502 ( 10.994 -4.834 -4.107) 12.692 2.707 ( -13.228 0.389 4.644) 14.024 2.916 ( -11.162 -5.769 -0.711) 12.585 3.074 ( 10.195 0.273 14.209) 17.491 3.318 ( 2.999 -0.471 0.157) 3.039 3.372 ( -0.325 0.716 1.764) 1.931 3.501 ( -3.433 3.192 1.824) 5.030 3.772 ( 0.310 -0.497 -4.538) 4.576 3.847 ( 3.167 -4.266 -9.608) 10.979 3.959 ( -4.761 -3.266 0.626) 5.808 4.183 ( 2.954 -6.452 -0.977) 7.163 4.352 ( -0.511 2.801 3.208) 4.289 4.566 ( -0.748 -5.054 0.884) 5.185 4.726 ( -1.618 -2.443 -4.805) 5.628 5.062 ( -2.998 -3.469 1.799) 4.925 5.133 ( -7.985 -2.622 0.817) 8.444 5.175 ( -5.205 5.050 -2.461) 7.659 5.345 ( 3.211 0.699 1.794) 3.744 5.405 ( -8.237 -0.205 1.774) 8.428 5.694 ( 5.116 -2.829 -1.010) 5.933 5.857 ( 4.280 -2.768 -3.250) 6.045 6.036 ( 1.108 10.648 -0.928) 10.745 6.163 ( 7.696 4.713 0.465) 9.037 6.280 ( 0.779 -0.695 -0.066) 1.046 6.396 ( 0.409 7.260 2.668) 7.745 6.458 ( 5.562 5.490 -1.043) 7.884 6.672 ( 3.455 -0.792 -2.372) 4.265 6.793 ( 2.174 -3.114 -8.941) 9.715 6.930 ( 3.024 -3.086 0.024) 4.321 7.019 ( -7.309 -0.725 3.781) 8.261 7.085 ( 1.734 -3.963 3.390) 5.495 7.188 ( 8.652 -2.402 9.341) 12.957 7.527 ( 3.454 -1.272 -13.095) 13.602 7.744 ( 1.258 0.640 -3.711) 3.970 7.819 ( -0.572 -0.625 5.488) 5.553 7.980 ( -5.659 9.698 -5.580) 12.538 8.228 ( -5.044 1.191 -0.276) 5.190 8.530 ( -6.162 -6.398 6.230) 10.850 8.717 ( -6.805 -11.844 5.176) 14.607 8.959 ( -4.373 2.591 0.758) 5.139 9.096 ( -0.142 2.069 -3.141) 3.764 10.161 ( -4.965 1.208 3.238) 6.049 10.745 ( -1.954 6.103 -1.816) 6.660 10.922 ( -2.741 -0.205 0.712) 2.839 11.487 ( 1.456 1.958 -2.827) 3.734 11.697 ( -1.415 4.424 1.307) 4.825 12.391 ( 10.980 7.917 -1.604) 13.631 12.614 ( 9.783 -2.939 -0.981) 10.262 13.092 ( -4.061 -8.514 5.779) 11.062 13.642 ( -5.221 10.918 -4.480) 12.905 13.948 ( 0.099 -1.014 -5.374) 5.469 14.221 ( 12.121 3.639 -0.137) 12.656 14.589 ( -3.660 -1.259 2.245) 4.475 14.780 ( -2.697 -1.700 1.998) 3.763 14.813 ( -1.343 -0.433 5.897) 6.064 15.180 ( 1.299 -1.533 9.636) 9.844 15.216 ( -0.755 -1.968 3.881) 4.416 15.324 ( 7.898 4.845 -10.968) 14.358 15.688 ( -4.281 3.300 -3.524) 6.452 15.946 ( -7.657 -4.516 -1.985) 9.109 16.791 ( 3.711 0.982 0.664) 3.896 24.185 ( -0.336 0.947 0.148) 1.016 24.247 ( -1.431 -1.651 0.572) 2.258 24.333 ( -0.556 0.264 -1.101) 1.262 24.393 ( 0.490 0.315 0.360) 0.685 25.560 ( 3.925 -1.192 0.655) 4.154 25.759 ( -2.335 3.552 -2.387) 4.875 25.896 ( -0.683 2.294 -0.535) 2.453 26.299 ( 5.065 5.014 -4.283) 8.315 26.413 ( -1.233 1.832 1.298) 2.561 26.680 ( 4.706 13.212 3.350) 14.419 27.020 ( -3.791 -14.979 -1.949) 15.574 27.601 ( -6.748 -15.776 11.016) 20.391 28.175 ( 0.207 -2.234 0.664) 2.340 28.394 ( 0.638 -5.578 -7.475) 9.349 28.741 ( 6.415 2.109 -1.125) 6.846 29.494 ( -11.296 4.863 1.653) 12.409 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -3.411 0.090 0.089) 3.413 1.347 ( 0.448 -1.700 -0.517) 1.832 1.606 ( 11.794 -8.700 2.979) 14.956 1.903 ( 15.678 -5.861 -4.953) 17.455 1.972 ( 2.249 1.614 -0.616) 2.836 2.093 ( -8.305 -6.547 1.470) 10.677 2.371 ( -9.252 -2.654 3.155) 10.129 2.589 ( -12.924 -2.832 3.376) 13.654 2.824 ( -10.903 4.987 -1.218) 12.051 3.102 ( 11.807 -1.982 2.524) 12.235 3.183 ( 12.882 -1.018 3.431) 13.370 3.309 ( -0.096 3.950 0.910) 4.055 3.409 ( 8.100 -8.853 1.813) 12.136 3.546 ( 1.628 -7.885 1.080) 8.123 3.728 ( -0.424 3.997 -9.339) 10.168 3.846 ( -2.554 2.286 2.361) 4.162 4.092 ( 2.289 -11.690 -0.146) 11.912 4.388 ( -1.446 -11.446 5.095) 12.612 4.409 ( 9.844 -6.304 -4.072) 12.378 4.594 ( -2.671 -0.939 -4.442) 5.267 4.809 ( 0.422 -5.480 -3.101) 6.311 4.967 ( -12.221 3.998 2.786) 13.157 5.131 ( -0.602 -2.624 3.595) 4.491 5.156 ( -4.216 -2.910 -2.896) 5.885 5.351 ( -6.532 -0.315 1.827) 6.790 5.354 ( 1.165 1.126 0.425) 1.675 5.697 ( 6.029 7.665 -0.933) 9.796 5.873 ( 0.322 5.126 -1.181) 5.270 6.000 ( 0.001 -9.784 -1.641) 9.921 6.090 ( 3.933 7.488 -3.255) 9.063 6.255 ( -0.209 2.494 0.254) 2.516 6.329 ( -2.134 1.628 2.186) 3.462 6.441 ( 6.803 1.105 3.500) 7.730 6.704 ( 0.329 -2.039 -4.097) 4.589 6.820 ( 3.572 1.751 -4.846) 6.270 6.939 ( -0.661 -0.916 -1.005) 1.512 7.094 ( -2.022 -5.639 0.764) 6.039 7.164 ( -0.548 -1.677 7.174) 7.387 7.333 ( 6.216 -6.023 7.134) 11.217 7.538 ( 2.885 1.909 -8.679) 9.343 7.712 ( -2.187 2.694 0.149) 3.473 7.750 ( -2.165 5.458 -4.101) 7.162 7.852 ( 1.043 -0.283 2.828) 3.028 8.166 ( -4.667 1.813 1.595) 5.255 8.589 ( -7.343 -4.677 2.350) 9.017 8.858 ( 1.499 -2.760 -2.003) 3.726 8.877 ( 1.070 4.100 -1.951) 4.665 9.020 ( -2.764 2.968 1.599) 4.360 10.102 ( -1.421 1.682 2.896) 3.638 10.600 ( -6.041 3.527 -0.981) 7.063 10.919 ( -0.804 -0.613 0.260) 1.044 11.454 ( 1.453 2.199 -1.877) 3.236 11.579 ( -1.637 6.182 0.928) 6.462 12.242 ( 6.422 12.746 -0.284) 14.275 12.789 ( 9.302 -3.531 -0.763) 9.979 13.227 ( -6.628 -8.403 4.839) 11.746 13.404 ( -2.271 7.544 -4.220) 8.937 13.941 ( 0.138 0.539 -2.717) 2.773 14.247 ( 11.600 4.465 0.039) 12.430 14.603 ( -1.793 -1.399 -3.520) 4.191 14.691 ( -7.762 3.236 7.462) 11.243 14.877 ( 0.779 -3.256 0.383) 3.370 15.239 ( 2.705 -0.906 10.032) 10.429 15.256 ( -0.863 -1.686 6.006) 6.297 15.290 ( 6.228 2.819 -13.977) 15.559 15.567 ( -4.316 4.403 -1.992) 6.479 16.005 ( -4.873 -7.336 -1.522) 8.937 16.784 ( 2.505 2.889 0.654) 3.879 24.177 ( 0.789 0.186 0.218) 0.840 24.252 ( -2.429 -0.516 0.018) 2.483 24.336 ( 0.993 -0.536 -0.382) 1.192 24.388 ( -0.644 0.046 0.059) 0.648 25.612 ( 2.869 -0.480 0.768) 3.009 25.680 ( -0.553 2.666 -1.050) 2.918 25.848 ( -1.208 1.528 -1.050) 2.213 26.262 ( 4.611 3.959 0.004) 6.077 26.356 ( -0.279 4.868 -0.500) 4.901 26.469 ( 0.084 7.171 1.298) 7.288 27.320 ( -1.161 -15.923 -1.824) 16.069 27.799 ( -5.242 -9.976 5.894) 12.718 28.232 ( -0.358 -3.546 0.543) 3.605 28.544 ( 0.838 -9.580 -3.654) 10.287 28.733 ( 5.833 3.919 -1.788) 7.251 29.272 ( -9.104 8.425 1.624) 12.510 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -2.291 0.162 -0.242) 2.309 1.393 ( 1.734 -1.737 0.358) 2.480 1.736 ( -0.198 -1.816 0.517) 1.899 1.913 ( 4.979 -0.474 -3.177) 5.925 2.073 ( 0.220 -1.284 0.100) 1.306 2.377 ( 4.721 -4.958 3.678) 7.772 2.432 ( -2.055 -11.993 -1.681) 12.283 2.560 ( -8.778 -2.741 0.731) 9.225 2.621 ( -8.019 -1.587 2.482) 8.543 3.112 ( 4.594 4.824 1.292) 6.785 3.177 ( 3.754 4.271 -1.251) 5.822 3.280 ( 2.126 0.382 0.682) 2.265 3.517 ( -1.058 8.005 -7.021) 10.701 3.602 ( 2.783 -0.363 6.381) 6.971 3.716 ( -2.154 -3.434 0.234) 4.061 3.803 ( -2.133 1.459 -0.897) 2.736 4.373 ( 7.549 -0.435 -1.110) 7.643 4.447 ( 3.371 -1.843 1.412) 4.093 4.681 ( 7.520 -4.703 -1.972) 9.086 4.771 ( 1.909 -20.696 -3.233) 21.034 4.826 ( -2.062 -2.162 -7.038) 7.646 4.917 ( -8.506 -5.848 11.922) 15.770 5.131 ( -2.782 2.515 -2.502) 4.508 5.190 ( -3.557 -5.128 3.155) 6.993 5.280 ( -1.117 3.489 -1.074) 3.818 5.346 ( 0.263 -1.288 0.202) 1.330 5.558 ( -0.654 7.216 0.647) 7.274 5.809 ( 0.857 3.883 -1.270) 4.175 5.971 ( 0.348 5.527 -2.404) 6.037 6.188 ( -0.104 -8.236 0.055) 8.237 6.214 ( 0.233 1.149 -1.147) 1.640 6.271 ( -2.504 1.812 0.649) 3.158 6.465 ( 2.352 3.031 2.775) 4.735 6.717 ( -2.183 -0.759 -1.387) 2.695 6.869 ( 8.000 -0.226 1.847) 8.213 6.966 ( 3.726 2.314 -8.328) 9.413 7.085 ( -8.064 -5.003 5.676) 11.058 7.264 ( -1.192 -7.321 2.048) 7.695 7.453 ( 3.429 4.501 -1.232) 5.791 7.522 ( 1.507 -4.044 0.968) 4.423 7.615 ( -3.346 1.439 -2.453) 4.392 7.760 ( 8.438 -0.738 -0.258) 8.475 7.855 ( -1.809 -0.256 3.778) 4.197 8.065 ( -8.149 2.893 0.215) 8.650 8.572 ( -1.836 3.856 -0.810) 4.347 8.767 ( 5.783 6.576 -4.861) 10.016 8.855 ( -3.028 3.706 3.269) 5.796 8.997 ( -0.503 -2.805 0.265) 2.862 10.108 ( 2.018 -1.847 1.151) 2.969 10.529 ( -4.463 -0.753 -0.478) 4.551 10.946 ( -1.045 -4.047 0.346) 4.194 11.428 ( 1.468 2.589 0.061) 2.977 11.456 ( -1.863 3.554 -0.329) 4.027 12.052 ( 3.360 11.024 -0.174) 11.526 12.812 ( 1.431 6.374 -0.035) 6.533 13.287 ( -0.217 -4.804 -1.698) 5.100 13.404 ( -1.262 -5.583 2.127) 6.106 13.922 ( -0.423 1.392 -0.843) 1.681 14.228 ( 6.674 6.456 -0.466) 9.297 14.535 ( -6.014 1.901 -0.746) 6.351 14.649 ( -0.783 -0.634 1.730) 2.002 14.928 ( 0.877 -1.345 -0.201) 1.618 15.211 ( 2.235 6.474 3.319) 7.611 15.289 ( 0.087 -1.286 -0.214) 1.307 15.317 ( 0.752 -2.194 -2.504) 3.413 15.483 ( -1.338 0.343 -0.031) 1.381 16.130 ( -2.016 -8.580 -0.612) 8.835 16.722 ( 1.117 5.142 0.304) 5.270 24.190 ( 1.852 -0.164 0.174) 1.868 24.233 ( -2.654 0.001 -0.194) 2.661 24.360 ( 1.557 -0.526 -0.034) 1.644 24.385 ( -1.268 -0.689 0.013) 1.443 25.617 ( 1.582 1.545 -0.121) 2.215 25.646 ( -0.812 0.923 0.156) 1.239 25.824 ( -0.551 -0.118 -0.483) 0.742 26.154 ( 1.943 8.900 0.768) 9.142 26.294 ( -0.265 0.330 -0.617) 0.749 26.416 ( -0.227 0.562 0.199) 0.638 27.560 ( -0.031 -8.842 -0.761) 8.874 27.938 ( -1.796 -7.525 1.848) 7.954 28.303 ( -0.508 -4.164 0.257) 4.203 28.634 ( 2.179 4.752 -0.033) 5.228 28.810 ( 2.499 -11.567 -2.939) 12.193 29.039 ( -5.016 9.164 1.782) 10.598 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 0.000 -2.381 0.000) 2.381 1.415 ( -0.000 0.795 -0.000) 0.795 1.815 ( 0.000 -6.693 0.000) 6.693 1.949 ( -0.000 11.804 -0.000) 11.804 2.018 ( 0.000 -6.895 0.000) 6.895 2.142 ( -0.000 18.835 -0.000) 18.835 2.606 ( 0.000 -6.827 0.000) 6.827 2.719 ( 0.000 -6.649 0.000) 6.649 2.806 ( 0.000 -12.764 0.000) 12.764 3.046 ( -0.000 3.535 -0.000) 3.535 3.145 ( 0.000 -0.127 0.000) 0.127 3.289 ( -0.000 3.593 -0.000) 3.593 3.391 ( 0.000 -1.579 0.000) 1.579 3.503 ( -0.000 7.867 -0.000) 7.867 3.718 ( -0.000 4.430 -0.000) 4.430 3.823 ( 0.000 -5.156 0.000) 5.156 4.257 ( -0.000 6.739 -0.000) 6.739 4.575 ( -0.000 8.932 -0.000) 8.932 4.633 ( -0.000 8.589 -0.000) 8.589 4.711 ( 0.000 -1.020 0.000) 1.020 5.040 ( -0.000 0.176 -0.000) 0.176 5.049 ( -0.000 4.335 -0.000) 4.335 5.091 ( 0.000 -8.874 0.000) 8.874 5.233 ( -0.000 0.296 -0.000) 0.296 5.399 ( 0.000 -18.863 0.000) 18.863 5.433 ( 0.000 -5.874 0.000) 5.874 5.479 ( 0.000 -1.221 0.000) 1.221 5.693 ( -0.000 8.257 -0.000) 8.257 5.901 ( -0.000 1.454 -0.000) 1.454 6.196 ( 0.000 -0.120 0.000) 0.120 6.217 ( -0.000 2.448 -0.000) 2.448 6.313 ( 0.000 -3.479 0.000) 3.479 6.369 ( -0.000 7.172 -0.000) 7.172 6.764 ( 0.000 -4.715 0.000) 4.715 6.848 ( -0.000 3.722 -0.000) 3.722 6.873 ( -0.000 5.186 -0.000) 5.186 7.165 ( -0.000 2.493 -0.000) 2.493 7.292 ( -0.000 6.099 -0.000) 6.099 7.466 ( 0.000 -7.566 0.000) 7.566 7.565 ( -0.000 1.451 -0.000) 1.451 7.616 ( 0.000 -2.427 0.000) 2.427 7.897 ( 0.000 -4.935 0.000) 4.935 7.904 ( 0.000 -8.070 0.000) 8.070 7.949 ( -0.000 0.184 -0.000) 0.184 8.374 ( -0.000 13.239 -0.000) 13.239 8.712 ( -0.000 1.697 -0.000) 1.697 8.823 ( 0.000 -2.451 0.000) 2.451 9.080 ( 0.000 -4.818 0.000) 4.818 10.190 ( 0.000 -5.185 0.000) 5.185 10.516 ( -0.000 0.727 -0.000) 0.727 11.097 ( 0.000 -12.192 0.000) 12.192 11.356 ( -0.000 2.877 -0.000) 2.877 11.444 ( 0.000 -0.569 0.000) 0.569 11.878 ( -0.000 8.492 -0.000) 8.492 12.656 ( -0.000 8.545 -0.000) 8.545 13.422 ( 0.000 -7.803 0.000) 7.803 13.493 ( 0.000 -3.490 0.000) 3.490 13.871 ( -0.000 3.480 -0.000) 3.480 14.126 ( -0.000 5.878 -0.000) 5.878 14.485 ( -0.000 1.088 -0.000) 1.088 14.655 ( 0.000 -0.119 0.000) 0.119 14.956 ( 0.000 -1.329 0.000) 1.329 15.078 ( -0.000 7.391 -0.000) 7.391 15.299 ( -0.000 0.191 -0.000) 0.191 15.350 ( 0.000 -0.741 0.000) 0.741 15.527 ( 0.000 -4.461 0.000) 4.461 16.287 ( 0.000 -8.254 0.000) 8.254 16.612 ( -0.000 6.490 -0.000) 6.490 24.202 ( -0.000 0.620 -0.000) 0.620 24.221 ( 0.000 -0.931 0.000) 0.931 24.370 ( -0.000 0.081 -0.000) 0.081 24.399 ( 0.000 -1.071 0.000) 1.071 25.595 ( -0.000 1.975 -0.000) 1.975 25.620 ( -0.000 0.483 -0.000) 0.483 25.837 ( 0.000 -1.203 0.000) 1.203 26.028 ( -0.000 4.722 -0.000) 4.722 26.297 ( 0.000 -0.602 0.000) 0.602 26.416 ( 0.000 -0.521 0.000) 0.521 27.642 ( -0.000 0.192 -0.000) 0.192 28.064 ( 0.000 -5.862 0.000) 5.862 28.384 ( 0.000 -4.353 0.000) 4.353 28.523 ( -0.000 6.795 -0.000) 6.795 28.838 ( -0.000 9.276 -0.000) 9.276 29.093 ( 0.000 -15.475 0.000) 15.475 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -2.638 -0.000 1.896) 3.249 1.301 ( 2.942 0.000 -2.545) 3.890 1.477 ( 14.624 0.000 9.836) 17.624 1.520 ( 21.368 0.000 1.700) 21.436 2.095 ( -4.773 -0.000 1.928) 5.148 2.166 ( 2.342 0.000 -1.970) 3.060 2.425 ( -6.571 -0.000 -3.884) 7.634 2.583 ( 23.788 0.000 -10.456) 25.985 2.589 ( -22.287 -0.000 1.186) 22.319 2.780 ( 5.475 0.000 6.667) 8.626 3.189 ( 10.299 0.000 14.721) 17.966 3.338 ( 2.479 0.000 0.764) 2.594 3.385 ( 0.768 0.000 0.870) 1.161 3.509 ( -4.354 -0.000 2.174) 4.866 3.733 ( 2.170 0.000 -2.934) 3.649 3.807 ( -15.208 -0.000 3.558) 15.619 3.838 ( 0.499 0.000 -14.832) 14.840 4.167 ( 5.281 0.000 -1.061) 5.387 4.291 ( -13.369 -0.000 1.263) 13.429 4.541 ( 4.388 0.000 2.508) 5.054 4.716 ( 3.223 0.000 -2.494) 4.075 4.997 ( -2.896 -0.000 0.876) 3.025 5.037 ( -5.757 -0.000 -0.420) 5.772 5.208 ( -4.318 -0.000 -3.040) 5.281 5.336 ( -6.760 -0.000 0.136) 6.762 5.399 ( 3.819 0.000 3.185) 4.973 5.640 ( 1.937 0.000 0.148) 1.943 5.906 ( 5.819 0.000 -1.627) 6.042 6.156 ( -0.962 -0.000 0.180) 0.979 6.279 ( 1.210 0.000 0.597) 1.349 6.294 ( 7.625 0.000 -0.598) 7.648 6.503 ( 0.740 0.000 -4.042) 4.109 6.569 ( 1.509 0.000 3.834) 4.120 6.699 ( 2.312 0.000 -3.207) 3.954 6.743 ( 5.716 0.000 -0.844) 5.778 6.908 ( -0.402 -0.000 -1.077) 1.150 6.985 ( -4.199 -0.000 0.090) 4.200 7.025 ( -2.504 -0.000 8.187) 8.561 7.246 ( 7.729 0.000 3.192) 8.362 7.515 ( 3.307 0.000 -15.955) 16.294 7.746 ( -1.339 -0.000 -3.025) 3.308 7.824 ( 2.423 0.000 4.126) 4.784 8.105 ( -1.021 -0.000 -2.978) 3.148 8.180 ( -2.710 -0.000 -7.682) 8.146 8.443 ( -13.491 -0.000 15.899) 20.851 8.453 ( -0.428 -0.000 2.466) 2.502 8.915 ( -7.224 -0.000 1.257) 7.333 9.132 ( 1.747 0.000 -2.529) 3.074 10.141 ( -2.846 -0.000 2.272) 3.642 10.833 ( 1.423 0.000 -1.612) 2.151 10.877 ( -4.075 -0.000 0.302) 4.086 11.514 ( 0.965 0.000 -2.153) 2.359 11.737 ( -0.955 -0.000 1.375) 1.674 12.564 ( 14.662 0.000 -5.071) 15.514 12.674 ( 4.860 0.000 0.697) 4.910 12.961 ( -5.805 -0.000 6.877) 9.000 13.711 ( -7.926 -0.000 -4.365) 9.048 13.942 ( 5.058 0.000 -3.889) 6.380 14.375 ( 13.731 0.000 -2.018) 13.879 14.531 ( -5.669 -0.000 3.932) 6.899 14.736 ( -2.490 -0.000 0.108) 2.492 14.798 ( -3.608 -0.000 6.809) 7.706 15.174 ( 0.553 0.000 2.554) 2.613 15.194 ( -0.482 -0.000 2.611) 2.655 15.429 ( 6.010 0.000 -2.095) 6.364 15.680 ( -4.540 -0.000 -4.208) 6.190 15.835 ( -5.763 -0.000 -1.336) 5.916 16.827 ( 2.517 0.000 0.255) 2.530 24.191 ( -1.025 -0.000 -0.338) 1.079 24.225 ( 0.164 0.000 1.126) 1.137 24.322 ( -1.169 -0.000 -1.150) 1.640 24.406 ( 0.616 0.000 0.362) 0.714 25.587 ( 4.537 0.000 1.367) 4.738 25.756 ( -4.117 -0.000 -3.316) 5.287 25.920 ( -0.713 -0.000 0.192) 0.738 26.382 ( 2.201 0.000 -6.224) 6.602 26.453 ( -1.876 -0.000 2.525) 3.145 26.710 ( 1.960 0.000 1.532) 2.488 27.007 ( -0.705 -0.000 -0.509) 0.870 27.356 ( -0.779 -0.000 9.017) 9.051 28.157 ( 0.400 0.000 0.368) 0.543 28.333 ( 0.091 0.000 -4.563) 4.564 28.819 ( 6.631 0.000 -1.023) 6.709 29.449 ( -10.080 -0.000 1.525) 10.195 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.869 -0.705 0.198) 2.007 1.315 ( -0.195 -0.858 -1.007) 1.337 1.622 ( 14.636 -3.244 6.810) 16.466 1.798 ( 7.482 -10.515 -0.040) 12.905 2.035 ( 2.539 3.507 -2.899) 5.211 2.111 ( 1.786 6.693 -1.712) 7.135 2.297 ( -10.889 2.896 0.774) 11.295 2.415 ( -14.711 -2.172 1.506) 14.947 2.746 ( -5.180 -5.427 -1.166) 7.593 3.128 ( 29.230 -11.533 -1.469) 31.458 3.279 ( 7.629 0.279 13.295) 15.331 3.352 ( 1.920 -0.803 -4.216) 4.702 3.372 ( -0.301 1.994 -0.866) 2.194 3.480 ( -0.278 -0.669 0.758) 1.048 3.761 ( -5.493 -5.365 -3.489) 8.434 3.797 ( -9.609 -8.315 2.102) 12.880 3.817 ( -3.501 -1.444 -3.606) 5.229 4.177 ( -6.035 -0.869 1.180) 6.210 4.283 ( 2.302 -7.132 -2.122) 7.789 4.631 ( 3.255 -4.178 1.667) 5.553 4.768 ( 6.412 -0.689 -3.245) 7.219 4.943 ( -9.116 1.227 0.871) 9.239 5.065 ( -0.477 -3.427 0.824) 3.557 5.100 ( -2.939 3.324 -1.038) 4.557 5.297 ( -3.361 -0.678 0.019) 3.429 5.401 ( 1.616 2.302 1.067) 3.008 5.758 ( 2.074 -8.062 0.039) 8.324 5.925 ( 3.669 1.760 -1.413) 4.307 6.021 ( -2.033 10.833 0.263) 11.025 6.269 ( 2.030 4.883 -0.132) 5.290 6.306 ( 4.297 2.778 -2.404) 5.654 6.372 ( -3.082 5.722 2.617) 7.007 6.580 ( 6.894 5.170 3.505) 9.303 6.679 ( -2.276 0.851 -4.127) 4.789 6.828 ( 3.516 -2.710 -6.109) 7.552 6.903 ( -5.839 -1.335 4.160) 7.292 6.967 ( 0.750 -3.935 0.258) 4.014 7.134 ( 2.303 -5.963 2.429) 6.838 7.294 ( 1.656 -0.843 4.706) 5.059 7.551 ( 1.787 -2.482 -8.886) 9.398 7.723 ( -1.983 1.226 -0.192) 2.339 7.848 ( 1.587 1.002 3.267) 3.767 7.903 ( -1.093 10.143 -4.273) 11.060 8.188 ( 0.255 1.430 0.111) 1.457 8.421 ( -6.374 -5.978 3.926) 9.580 8.662 ( -0.926 -14.985 0.969) 15.044 8.871 ( -3.742 -0.618 0.438) 3.818 9.103 ( 0.636 3.893 -1.063) 4.085 10.116 ( -1.292 0.878 1.512) 2.175 10.699 ( -1.790 8.984 -0.574) 9.178 10.908 ( 0.040 -1.337 -0.136) 1.344 11.501 ( 0.566 1.736 -1.103) 2.134 11.682 ( -0.544 4.727 0.628) 4.799 12.529 ( 4.363 11.814 -0.484) 12.603 12.766 ( 7.210 -5.425 -2.265) 9.304 13.021 ( -5.064 -8.142 4.712) 10.684 13.551 ( -2.837 8.994 -2.604) 9.783 13.960 ( 1.277 1.245 -2.070) 2.732 14.434 ( 10.325 3.769 0.442) 11.001 14.547 ( 0.623 -2.691 -2.438) 3.684 14.673 ( -9.958 1.914 5.678) 11.622 14.814 ( 0.154 -3.180 0.392) 3.208 15.202 ( 0.316 -2.156 0.104) 2.182 15.215 ( -0.212 -2.026 1.934) 2.809 15.434 ( 5.242 4.064 0.490) 6.651 15.603 ( -3.911 3.150 -2.721) 5.712 15.846 ( -2.943 -4.900 -0.916) 5.788 16.836 ( 1.280 0.933 0.195) 1.596 24.183 ( 0.003 -0.007 -0.042) 0.043 24.231 ( -0.561 -0.216 0.417) 0.731 24.321 ( -0.344 -0.873 -0.558) 1.091 24.400 ( 0.151 0.948 0.159) 0.973 25.633 ( 3.853 -0.263 1.727) 4.231 25.704 ( -3.208 1.156 -2.412) 4.177 25.884 ( -0.394 2.678 -0.192) 2.714 26.348 ( 1.852 4.141 -2.371) 5.118 26.397 ( -0.908 0.896 1.298) 1.820 26.750 ( 2.218 16.389 1.373) 16.596 26.965 ( -1.763 -17.136 -0.733) 17.242 27.551 ( -1.699 -12.820 3.425) 13.378 28.179 ( 0.102 -1.885 0.215) 1.900 28.388 ( 0.124 -5.949 -2.232) 6.355 28.844 ( 4.472 2.525 -0.745) 5.190 29.331 ( -6.356 4.566 0.972) 7.886 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -0.000 0.648 -0.000) 0.648 1.348 ( 0.000 -2.794 0.000) 2.794 1.742 ( -0.000 0.827 -0.000) 0.827 1.981 ( 0.000 -8.774 0.000) 8.774 1.985 ( -0.000 5.403 -0.000) 5.403 2.157 ( 0.000 -11.848 0.000) 11.848 2.260 ( 0.000 -5.194 0.000) 5.194 2.411 ( 0.000 -4.272 0.000) 4.272 2.710 ( -0.000 5.934 -0.000) 5.934 3.224 ( -0.000 4.175 -0.000) 4.175 3.282 ( -0.000 4.053 -0.000) 4.053 3.311 ( -0.000 2.348 -0.000) 2.348 3.537 ( 0.000 -4.425 0.000) 4.425 3.577 ( 0.000 -8.097 0.000) 8.097 3.701 ( -0.000 5.589 -0.000) 5.589 3.821 ( -0.000 0.480 -0.000) 0.480 4.173 ( 0.000 -30.877 0.000) 30.877 4.251 ( 0.000 -9.674 0.000) 9.674 4.509 ( 0.000 -13.900 0.000) 13.900 4.626 ( -0.000 9.045 -0.000) 9.045 4.806 ( -0.000 3.543 -0.000) 3.543 4.835 ( 0.000 -3.236 0.000) 3.236 5.105 ( 0.000 -2.509 0.000) 2.509 5.129 ( 0.000 -2.666 0.000) 2.666 5.296 ( 0.000 -0.393 0.000) 0.393 5.367 ( -0.000 1.718 -0.000) 1.718 5.763 ( -0.000 12.389 -0.000) 12.389 5.862 ( -0.000 1.212 -0.000) 1.212 6.000 ( 0.000 -9.336 0.000) 9.336 6.119 ( -0.000 9.069 -0.000) 9.069 6.264 ( -0.000 3.668 -0.000) 3.668 6.296 ( -0.000 1.590 -0.000) 1.590 6.555 ( -0.000 4.308 -0.000) 4.308 6.639 ( 0.000 -3.623 0.000) 3.623 6.879 ( 0.000 -2.825 0.000) 2.825 6.927 ( 0.000 -0.498 0.000) 0.498 7.068 ( 0.000 -4.351 0.000) 4.351 7.168 ( -0.000 1.034 -0.000) 1.034 7.400 ( 0.000 -7.628 0.000) 7.628 7.600 ( -0.000 7.856 -0.000) 7.856 7.600 ( 0.000 -1.214 0.000) 1.214 7.791 ( -0.000 0.845 -0.000) 0.845 7.855 ( -0.000 0.571 -0.000) 0.571 8.125 ( -0.000 4.778 -0.000) 4.778 8.515 ( 0.000 -5.378 0.000) 5.378 8.873 ( 0.000 -0.183 0.000) 0.183 8.873 ( 0.000 -4.548 0.000) 4.548 9.004 ( -0.000 5.233 -0.000) 5.233 10.100 ( -0.000 0.047 -0.000) 0.047 10.535 ( -0.000 5.196 -0.000) 5.196 10.917 ( 0.000 -0.041 0.000) 0.041 11.464 ( -0.000 1.884 -0.000) 1.884 11.566 ( -0.000 6.641 -0.000) 6.641 12.299 ( -0.000 12.874 -0.000) 12.874 12.889 ( 0.000 -1.558 0.000) 1.558 13.151 ( 0.000 -7.374 0.000) 7.374 13.384 ( -0.000 4.707 -0.000) 4.707 13.939 ( -0.000 0.860 -0.000) 0.860 14.401 ( -0.000 6.395 -0.000) 6.395 14.538 ( -0.000 2.250 -0.000) 2.250 14.622 ( 0.000 -1.695 0.000) 1.695 14.886 ( 0.000 -3.361 0.000) 3.361 15.250 ( 0.000 -2.332 0.000) 2.332 15.266 ( 0.000 -2.907 0.000) 2.907 15.361 ( -0.000 6.219 -0.000) 6.219 15.512 ( -0.000 3.452 -0.000) 3.452 15.958 ( 0.000 -7.773 0.000) 7.773 16.807 ( -0.000 2.925 -0.000) 2.925 24.191 ( 0.000 -0.548 0.000) 0.548 24.224 ( -0.000 0.349 -0.000) 0.349 24.345 ( 0.000 -1.518 0.000) 1.518 24.381 ( -0.000 0.806 -0.000) 0.806 25.646 ( -0.000 0.957 -0.000) 0.957 25.669 ( -0.000 1.033 -0.000) 1.033 25.834 ( -0.000 1.748 -0.000) 1.748 26.304 ( -0.000 1.307 -0.000) 1.307 26.352 ( -0.000 6.332 -0.000) 6.332 26.472 ( -0.000 9.087 -0.000) 9.087 27.306 ( 0.000 -16.706 0.000) 16.706 27.762 ( 0.000 -9.868 0.000) 9.868 28.230 ( 0.000 -3.265 0.000) 3.265 28.547 ( 0.000 -10.038 0.000) 10.038 28.794 ( -0.000 4.395 -0.000) 4.395 29.182 ( -0.000 7.714 -0.000) 7.714 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 -0.000) 0.000 1.657 ( 0.000 0.000 -0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.268 ( -0.000 -0.000 0.000) 0.000 2.300 ( 0.000 0.000 -0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 -0.000) 0.000 3.318 ( 0.000 0.000 -0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 -0.000) 0.000 3.506 ( -0.000 -0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.807 ( -0.000 -0.000 -0.000) 0.000 4.174 ( 0.000 0.000 -0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.290 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 -0.000) 0.000 6.582 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 -0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.316 ( 0.000 0.000 -0.000) 0.000 7.512 ( -0.000 -0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.859 ( 0.000 0.000 -0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.284 ( 0.000 0.000 -0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 10.121 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 11.520 ( 0.000 0.000 -0.000) 0.000 11.730 ( 0.000 0.000 0.000) 0.000 12.718 ( 0.000 0.000 0.000) 0.000 12.739 ( 0.000 0.000 0.000) 0.000 12.869 ( 0.000 0.000 0.000) 0.000 13.633 ( 0.000 0.000 0.000) 0.000 13.986 ( 0.000 0.000 -0.000) 0.000 14.481 ( 0.000 0.000 0.000) 0.000 14.598 ( 0.000 0.000 -0.000) 0.000 14.606 ( -0.000 -0.000 0.000) 0.000 14.780 ( 0.000 0.000 0.000) 0.000 15.181 ( 0.000 0.000 0.000) 0.000 15.194 ( -0.000 -0.000 -0.000) 0.000 15.503 ( 0.000 0.000 0.000) 0.000 15.612 ( -0.000 -0.000 -0.000) 0.000 15.782 ( 0.000 0.000 0.000) 0.000 16.850 ( 0.000 0.000 0.000) 0.000 24.181 ( 0.000 0.000 0.000) 0.000 24.229 ( 0.000 0.000 0.000) 0.000 24.309 ( 0.000 0.000 0.000) 0.000 24.412 ( 0.000 0.000 0.000) 0.000 25.668 ( 0.000 0.000 0.000) 0.000 25.677 ( -0.000 -0.000 -0.000) 0.000 25.914 ( 0.000 0.000 0.000) 0.000 26.397 ( 0.000 0.000 0.000) 0.000 26.436 ( 0.000 0.000 -0.000) 0.000 26.731 ( 0.000 0.000 0.000) 0.000 26.999 ( 0.000 0.000 0.000) 0.000 27.361 ( 0.000 0.000 0.000) 0.000 28.162 ( 0.000 0.000 0.000) 0.000 28.328 ( 0.000 0.000 0.000) 0.000 28.890 ( 0.000 0.000 0.000) 0.000 29.347 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( -9.982 -0.000 27.142) 28.920 0.575 ( 1.101 0.000 29.189) 29.209 1.099 ( -9.557 -0.000 41.672) 42.754 1.413 ( -2.515 -0.000 -0.284) 2.531 1.581 ( 0.993 0.000 20.790) 20.814 2.261 ( -0.336 -0.000 -3.853) 3.868 2.324 ( 10.278 0.000 -4.354) 11.162 2.781 ( -2.821 -0.000 -0.804) 2.933 2.796 ( 4.442 0.000 -4.437) 6.278 2.952 ( -3.151 -0.000 2.424) 3.976 3.062 ( 6.972 0.000 -3.295) 7.712 3.346 ( -2.403 -0.000 6.464) 6.896 3.359 ( 1.855 0.000 -0.231) 1.869 3.644 ( -9.182 -0.000 2.731) 9.579 3.845 ( 11.465 0.000 -1.996) 11.638 3.869 ( -8.836 -0.000 -2.436) 9.165 3.955 ( -0.399 -0.000 1.609) 1.658 4.109 ( -1.140 -0.000 2.271) 2.541 4.146 ( 5.175 0.000 3.152) 6.060 4.438 ( 0.628 0.000 -0.555) 0.839 4.818 ( 21.187 0.000 0.979) 21.209 4.947 ( 0.881 0.000 -8.739) 8.783 5.133 ( -0.485 -0.000 -22.460) 22.466 5.293 ( -1.856 -0.000 10.369) 10.534 5.340 ( 3.952 0.000 -9.948) 10.704 5.651 ( -3.833 -0.000 2.769) 4.729 5.688 ( -12.548 -0.000 -0.062) 12.548 5.774 ( -1.936 -0.000 3.983) 4.429 5.825 ( -5.986 -0.000 0.699) 6.026 5.960 ( 1.416 0.000 4.244) 4.474 6.122 ( -1.286 -0.000 -0.492) 1.377 6.223 ( 0.888 0.000 1.565) 1.800 6.443 ( 1.064 0.000 -1.394) 1.754 6.546 ( 7.265 0.000 -6.270) 9.596 6.606 ( -1.660 -0.000 0.563) 1.753 6.661 ( -2.302 -0.000 4.889) 5.404 6.714 ( 1.204 0.000 4.414) 4.575 7.125 ( 0.310 0.000 1.379) 1.413 7.203 ( 3.006 0.000 -2.524) 3.925 7.503 ( -5.507 -0.000 5.260) 7.616 7.522 ( 0.560 0.000 -7.296) 7.318 7.986 ( 6.126 0.000 -4.785) 7.774 8.005 ( -4.087 -0.000 -2.705) 4.901 8.139 ( 6.213 0.000 -5.539) 8.324 8.594 ( -1.751 -0.000 -0.007) 1.751 8.797 ( 0.032 0.000 -5.509) 5.509 9.203 ( 3.649 0.000 8.282) 9.050 10.028 ( -12.541 -0.000 -2.795) 12.849 10.545 ( 1.106 0.000 4.898) 5.021 10.749 ( -2.326 -0.000 8.410) 8.726 11.064 ( 2.246 0.000 -7.903) 8.216 11.789 ( 1.390 0.000 3.064) 3.365 11.844 ( -4.982 -0.000 16.398) 17.138 11.997 ( -4.291 -0.000 -1.570) 4.569 12.117 ( 5.761 0.000 -12.279) 13.563 13.005 ( 3.395 0.000 0.937) 3.522 13.441 ( -0.064 -0.000 -1.028) 1.030 13.910 ( 2.040 0.000 -0.886) 2.224 14.065 ( -2.940 -0.000 -19.865) 20.081 14.100 ( 7.446 0.000 -2.996) 8.026 14.610 ( 1.124 0.000 3.158) 3.352 14.778 ( 1.453 0.000 0.816) 1.666 14.992 ( 2.315 0.000 15.336) 15.510 15.324 ( -0.606 -0.000 11.865) 11.880 15.796 ( -1.316 -0.000 -3.555) 3.791 16.258 ( -3.056 -0.000 1.286) 3.316 16.541 ( 2.987 0.000 -6.314) 6.985 16.660 ( -13.920 -0.000 -3.163) 14.275 24.234 ( 0.758 0.000 0.386) 0.851 24.287 ( -1.732 -0.000 -0.529) 1.811 24.321 ( 2.827 0.000 0.775) 2.932 24.370 ( -0.797 -0.000 -0.169) 0.815 25.465 ( -0.874 -0.000 2.839) 2.971 25.697 ( 0.339 0.000 -0.717) 0.793 25.913 ( -2.340 -0.000 1.105) 2.588 25.969 ( 0.585 0.000 1.075) 1.224 26.528 ( 0.423 0.000 1.505) 1.563 26.606 ( 1.669 0.000 0.438) 1.726 26.816 ( 13.610 0.000 -2.904) 13.916 26.990 ( 0.327 0.000 -4.677) 4.688 28.175 ( -0.337 -0.000 3.943) 3.957 28.581 ( -0.148 -0.000 -2.697) 2.701 29.865 ( 0.975 0.000 2.220) 2.425 30.089 ( -18.231 -0.000 -1.406) 18.286 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 2.230 -19.815 15.326) 25.149 0.923 ( 3.717 -19.148 17.247) 26.037 1.345 ( 2.234 -5.551 -1.517) 6.173 1.408 ( -4.426 -6.680 5.943) 9.977 1.741 ( 6.553 -21.227 39.024) 44.905 2.211 ( -2.110 3.473 -2.963) 5.029 2.438 ( 6.582 -3.785 -1.333) 7.709 2.676 ( -2.826 7.365 -2.061) 8.153 2.842 ( 2.745 -2.813 -4.935) 6.308 2.949 ( -0.314 -0.491 3.040) 3.095 3.127 ( 6.697 -0.724 -1.712) 6.950 3.316 ( -3.516 0.884 3.235) 4.859 3.403 ( 1.241 -3.582 -2.355) 4.463 3.553 ( -5.572 3.955 0.996) 6.905 3.797 ( -7.133 -1.256 -0.323) 7.250 3.916 ( 3.732 2.342 3.313) 5.512 3.943 ( -1.486 0.492 1.843) 2.418 4.154 ( 1.885 3.855 6.240) 7.574 4.198 ( -0.939 -11.674 -2.421) 11.959 4.562 ( 2.329 -8.286 -2.347) 8.922 4.818 ( -2.794 2.880 -8.003) 8.953 5.014 ( 19.243 5.000 -2.304) 20.015 5.165 ( -4.172 -6.796 -14.952) 16.946 5.252 ( -2.671 -1.455 2.299) 3.812 5.420 ( -0.365 3.925 -3.822) 5.491 5.517 ( 0.721 0.903 2.392) 2.657 5.670 ( 0.173 -2.410 1.124) 2.665 5.760 ( -5.330 2.524 4.715) 7.551 5.851 ( 1.176 -2.129 -2.443) 3.448 5.965 ( 4.019 1.383 4.093) 5.901 6.113 ( 0.770 -4.818 -7.560) 8.998 6.296 ( -0.031 -2.556 3.949) 4.705 6.378 ( 4.951 4.298 -6.060) 8.928 6.491 ( 0.678 3.990 2.121) 4.569 6.675 ( 0.624 -3.517 1.080) 3.731 6.812 ( 0.503 -6.888 2.451) 7.328 7.001 ( 4.555 -14.670 -0.605) 15.373 7.090 ( 0.500 2.249 1.422) 2.707 7.283 ( 1.026 -5.502 -1.973) 5.934 7.392 ( -2.950 3.422 -1.970) 4.928 7.598 ( 0.619 -4.090 -1.318) 4.342 7.947 ( -2.278 2.318 -2.412) 4.048 8.008 ( 3.315 1.903 -3.063) 4.898 8.229 ( 1.893 -2.411 -16.163) 16.452 8.557 ( 0.142 1.601 -1.110) 1.953 8.752 ( 1.855 4.329 -4.683) 6.642 9.240 ( 1.458 -0.265 7.499) 7.644 9.486 ( -19.813 20.720 12.139) 31.133 10.540 ( -6.588 0.370 6.400) 9.192 10.721 ( 1.376 5.866 6.662) 8.982 11.104 ( -4.868 -5.703 -8.002) 10.966 11.638 ( -4.565 7.502 14.946) 17.335 11.772 ( 3.027 4.587 2.137) 5.896 12.008 ( 5.380 8.110 -1.319) 9.822 12.201 ( 5.005 -7.775 -5.532) 10.775 13.266 ( -7.864 -13.207 -6.712) 16.773 13.514 ( 10.196 -2.503 -7.889) 13.132 13.861 ( -3.797 10.412 -18.890) 21.901 13.959 ( 1.028 -0.162 -0.952) 1.410 14.205 ( 17.333 -1.549 -13.940) 22.297 14.648 ( 1.496 -1.684 1.259) 2.581 14.811 ( 2.008 -0.486 0.479) 2.121 15.063 ( 1.565 -2.480 13.075) 13.400 15.352 ( -2.264 -2.270 12.631) 13.031 15.753 ( -1.515 2.716 -3.408) 4.614 16.019 ( -14.131 22.235 29.511) 39.560 16.234 ( -8.010 -2.307 -1.588) 8.486 16.624 ( 3.062 0.041 -0.463) 3.097 24.218 ( -0.500 1.322 0.585) 1.530 24.276 ( -0.268 0.081 -0.725) 0.777 24.342 ( 1.262 -0.089 0.953) 1.584 24.383 ( -1.140 -1.385 -0.818) 1.971 25.482 ( 0.642 -1.400 2.252) 2.729 25.706 ( 5.041 4.000 -1.427) 6.591 25.906 ( -0.843 0.382 0.620) 1.114 25.983 ( 4.384 -0.641 0.676) 4.482 26.498 ( -1.089 2.429 4.132) 4.915 26.570 ( 2.577 5.883 2.515) 6.897 27.030 ( -1.936 -12.479 -10.639) 16.512 27.373 ( 10.993 -23.084 -26.813) 37.049 28.208 ( 0.586 -2.862 3.810) 4.801 28.568 ( 1.250 1.524 -2.508) 3.190 29.307 ( -24.965 23.646 33.548) 48.040 29.882 ( -8.858 5.773 1.078) 10.628 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 6.885 -12.854 1.319) 14.641 1.266 ( 1.771 -8.491 2.672) 9.076 1.380 ( -4.246 -7.215 0.484) 8.386 1.586 ( 4.009 -13.706 15.909) 21.378 2.036 ( -2.984 4.168 0.162) 5.129 2.346 ( 5.493 -1.106 6.182) 8.344 2.555 ( -1.332 -16.763 9.525) 19.326 2.614 ( 4.677 -4.079 -0.934) 6.276 2.877 ( 0.436 2.060 1.069) 2.362 2.975 ( -0.957 -2.416 -0.205) 2.607 3.180 ( 5.107 1.535 -2.301) 5.808 3.352 ( -1.769 -8.492 -2.815) 9.120 3.363 ( -4.192 7.509 -2.680) 9.008 3.532 ( 2.476 -5.442 -2.830) 6.615 3.639 ( -10.008 7.432 6.982) 14.288 3.940 ( 4.813 3.324 -0.460) 5.868 3.997 ( -1.146 -8.980 10.051) 13.527 4.135 ( 5.190 -0.041 6.041) 7.965 4.410 ( -4.910 -10.251 -2.280) 11.592 4.722 ( -1.723 -5.801 0.868) 6.113 4.744 ( -0.423 -0.951 -9.162) 9.221 5.085 ( 13.443 1.748 0.264) 13.559 5.218 ( -4.959 -3.662 -2.715) 6.736 5.279 ( -2.169 -1.241 -4.700) 5.323 5.376 ( 0.239 -0.426 -2.005) 2.064 5.440 ( -3.867 4.055 5.068) 7.555 5.656 ( 0.644 1.291 -1.789) 2.298 5.777 ( -2.744 -3.644 -0.722) 4.618 5.896 ( 4.644 0.773 -3.761) 6.026 5.994 ( 0.382 -2.637 3.428) 4.341 6.239 ( 3.801 -3.406 0.575) 5.136 6.310 ( 0.453 2.250 0.164) 2.301 6.341 ( 2.711 -1.425 0.447) 3.095 6.503 ( 3.182 -1.854 -6.407) 7.390 6.723 ( -2.192 -2.621 3.310) 4.758 6.913 ( 0.654 -2.031 1.205) 2.451 7.098 ( 2.001 -2.462 1.253) 3.411 7.213 ( 3.958 -4.508 6.758) 9.037 7.347 ( 1.563 -1.348 -7.888) 8.154 7.400 ( -4.043 -7.090 3.745) 8.980 7.661 ( 0.324 -1.166 -2.526) 2.800 7.872 ( -2.792 3.270 -1.595) 4.586 7.943 ( -2.329 3.952 -0.470) 4.611 8.207 ( 1.027 1.697 -13.550) 13.694 8.485 ( 4.865 10.388 -6.846) 13.359 8.708 ( 4.300 0.784 -3.352) 5.509 9.067 ( -12.555 10.243 4.407) 16.792 9.236 ( -1.222 2.499 5.287) 5.974 10.407 ( -10.944 5.196 7.590) 14.296 10.651 ( 5.472 4.454 4.678) 8.466 11.148 ( -9.767 -5.998 -6.740) 13.296 11.500 ( -4.069 5.530 9.978) 12.112 11.695 ( 5.395 6.619 2.199) 8.817 11.862 ( 5.965 10.552 -0.851) 12.151 12.413 ( 7.604 -8.050 -2.124) 11.275 13.368 ( -3.245 -4.344 -2.194) 5.849 13.521 ( -7.962 4.750 -12.329) 15.426 13.704 ( 7.695 -0.146 -13.721) 15.732 13.961 ( 0.522 0.603 -0.501) 0.942 14.376 ( 14.841 -2.131 -15.097) 21.277 14.692 ( 3.587 -0.369 0.294) 3.617 14.833 ( 1.142 -1.172 -1.173) 2.013 15.102 ( -1.185 0.654 9.231) 9.330 15.391 ( -4.324 -2.838 11.843) 12.923 15.645 ( -2.573 6.613 5.363) 8.894 15.741 ( -5.352 4.370 20.524) 21.656 16.224 ( -7.911 -4.126 -2.367) 9.231 16.640 ( 4.825 2.077 -0.170) 5.255 24.190 ( -1.182 0.763 0.409) 1.465 24.275 ( 1.851 0.551 -0.378) 1.968 24.346 ( -1.919 -0.551 0.211) 2.008 24.397 ( 0.006 -0.686 -0.291) 0.745 25.527 ( 1.532 -1.684 1.534) 2.745 25.661 ( 1.332 2.537 -0.562) 2.920 25.882 ( -0.960 1.003 0.515) 1.481 26.037 ( 6.121 0.963 1.013) 6.279 26.424 ( -1.559 3.878 5.593) 6.982 26.505 ( -0.392 1.991 3.429) 3.984 27.247 ( -0.835 -11.947 -10.332) 15.817 27.733 ( 4.893 -11.306 -26.273) 29.018 28.303 ( 1.655 -5.245 2.644) 6.103 28.540 ( 2.273 2.633 -1.568) 3.815 28.910 ( -14.388 6.008 26.464) 30.716 29.638 ( -7.536 11.527 1.239) 13.827 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 3.361 0.144 1.124) 3.547 1.330 ( -3.664 -1.433 -0.751) 4.005 1.557 ( -1.559 -8.553 0.539) 8.711 1.966 ( 1.894 -2.811 1.024) 3.541 2.000 ( 2.853 -13.551 13.188) 19.123 2.299 ( 3.794 -1.136 2.594) 4.734 2.710 ( -1.260 -2.906 -0.846) 3.278 2.767 ( -1.027 5.919 0.766) 6.056 2.876 ( 0.227 -4.872 5.128) 7.077 2.962 ( 0.804 3.494 -1.187) 3.777 3.146 ( -1.059 1.954 -5.676) 6.095 3.191 ( -1.222 9.451 -3.267) 10.074 3.363 ( -6.457 0.430 3.373) 7.298 3.621 ( 4.306 -6.254 5.702) 9.496 3.700 ( 2.320 -6.660 -2.610) 7.520 3.849 ( -1.498 5.563 -0.521) 5.785 4.272 ( 4.763 -9.367 8.090) 13.262 4.293 ( 4.811 -15.125 5.435) 16.776 4.447 ( -5.676 0.831 -0.200) 5.740 4.715 ( -2.777 -3.041 -3.468) 5.384 4.880 ( 1.341 -5.382 -2.008) 5.898 5.134 ( 3.024 5.174 6.898) 9.138 5.213 ( 2.469 -0.326 -4.022) 4.730 5.290 ( -4.298 -3.645 -2.040) 5.994 5.348 ( 1.267 3.168 5.049) 6.094 5.405 ( -4.650 -3.942 2.094) 6.445 5.636 ( -0.818 2.160 -5.531) 5.994 5.765 ( -1.426 3.204 0.064) 3.508 5.872 ( 1.696 1.848 -1.943) 3.173 6.116 ( 0.703 -8.945 -4.390) 9.989 6.252 ( 1.871 1.168 1.532) 2.686 6.328 ( 2.493 1.340 0.729) 2.923 6.411 ( 3.582 -2.039 4.398) 6.028 6.567 ( 2.113 -2.544 -3.945) 5.148 6.766 ( -0.991 -2.762 1.671) 3.377 6.905 ( -2.615 1.375 -1.715) 3.416 7.203 ( 2.180 -5.584 2.635) 6.548 7.306 ( 2.192 -1.497 5.603) 6.200 7.408 ( 2.110 -1.848 -6.734) 7.295 7.501 ( -5.189 -6.468 5.356) 9.872 7.633 ( 0.824 1.642 -1.152) 2.168 7.699 ( -6.796 7.604 -2.518) 10.504 7.959 ( -1.814 -5.983 -1.828) 6.514 8.169 ( 9.445 8.139 -14.038) 18.776 8.279 ( 2.477 8.263 -2.112) 8.881 8.725 ( 2.823 3.436 -5.364) 6.968 8.865 ( -5.978 1.462 1.007) 6.236 9.140 ( -3.491 4.843 3.153) 6.751 10.231 ( -6.996 4.757 6.142) 10.454 10.643 ( 2.714 1.076 4.892) 5.697 11.136 ( -8.449 -1.529 -4.356) 9.628 11.392 ( 0.096 3.411 5.120) 6.153 11.639 ( 1.559 3.476 8.052) 8.908 11.738 ( 4.997 6.071 -4.935) 9.283 12.610 ( 6.926 -5.255 -2.479) 9.040 13.265 ( -5.781 5.287 -11.405) 13.836 13.486 ( 0.137 -3.070 -3.138) 4.392 13.798 ( 4.816 -3.451 -10.839) 12.353 13.952 ( -0.240 0.174 -1.010) 1.052 14.486 ( 7.509 -0.783 -8.981) 11.732 14.728 ( 5.932 0.599 2.206) 6.357 14.871 ( -1.638 -1.448 -5.783) 6.183 15.055 ( -1.202 2.377 5.788) 6.371 15.409 ( -5.200 -1.865 5.881) 8.068 15.525 ( -1.102 4.210 11.189) 12.005 15.683 ( -3.254 1.312 17.041) 17.398 16.250 ( -4.808 -4.479 -2.423) 7.004 16.624 ( 3.556 3.179 -0.638) 4.812 24.170 ( -0.820 0.422 0.110) 0.929 24.287 ( 2.315 0.182 0.028) 2.322 24.333 ( -2.530 -0.280 -0.345) 2.569 24.408 ( 0.186 -0.342 0.048) 0.392 25.559 ( 0.749 -0.209 0.344) 0.850 25.650 ( 1.177 -0.373 0.276) 1.265 25.858 ( -1.024 0.562 0.754) 1.390 26.040 ( 3.782 3.125 0.580) 4.940 26.371 ( -2.022 0.557 6.689) 7.011 26.481 ( -0.828 0.759 5.482) 5.595 27.428 ( 0.732 -7.832 -11.664) 14.068 27.865 ( 2.056 -3.002 -20.456) 20.777 28.417 ( -0.026 -4.614 2.273) 5.143 28.502 ( 2.684 3.441 0.004) 4.363 28.839 ( -5.015 -4.201 14.572) 15.973 29.346 ( -6.455 11.865 2.962) 13.828 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -4.217 1.062 1.750) 4.688 1.340 ( 3.491 -0.196 2.647) 4.385 1.690 ( 1.905 -5.656 -1.941) 6.276 1.931 ( -2.700 0.052 2.385) 3.603 2.244 ( 0.050 1.679 13.311) 13.416 2.389 ( -4.255 1.115 2.062) 4.858 2.657 ( 0.078 6.749 -4.397) 8.055 2.692 ( 7.195 -1.880 -3.769) 8.337 2.830 ( 1.854 1.540 1.574) 2.879 2.974 ( -0.934 -2.521 1.766) 3.216 2.998 ( -2.662 5.818 2.969) 7.053 3.152 ( 1.380 -2.243 -4.387) 5.117 3.418 ( -6.046 -8.571 0.978) 10.534 3.594 ( 2.351 9.855 0.039) 10.131 3.768 ( 1.785 0.211 -1.581) 2.394 3.879 ( 0.445 -4.570 1.741) 4.910 4.289 ( -5.988 3.881 4.943) 8.680 4.446 ( 1.586 -0.888 -3.441) 3.892 4.598 ( 0.350 -6.921 7.481) 10.198 4.794 ( -1.745 -2.418 -1.285) 3.247 4.898 ( 1.048 4.384 -0.389) 4.524 5.041 ( 1.113 0.134 4.455) 4.594 5.221 ( 2.105 6.800 1.905) 7.368 5.262 ( -3.785 -0.390 4.352) 5.781 5.352 ( 2.186 -2.119 4.659) 5.566 5.475 ( 3.781 -1.913 -0.378) 4.254 5.617 ( -4.483 -5.251 -6.602) 9.553 5.686 ( 2.700 3.348 -0.450) 4.324 5.874 ( -3.275 -2.468 -3.851) 5.625 6.230 ( -1.596 1.292 -0.279) 2.073 6.271 ( 0.372 -3.480 -2.093) 4.078 6.310 ( 0.309 -0.230 2.561) 2.590 6.470 ( 1.870 1.099 4.199) 4.726 6.608 ( 4.383 0.162 -2.010) 4.824 6.788 ( -4.771 -1.904 0.873) 5.211 6.848 ( -0.502 1.478 -2.257) 2.744 7.239 ( -2.391 3.997 3.714) 5.957 7.357 ( -0.814 5.798 -0.474) 5.874 7.379 ( 0.493 -4.341 -2.387) 4.979 7.509 ( -2.447 3.017 -2.658) 4.707 7.621 ( 2.337 -4.079 3.081) 5.620 7.690 ( 2.222 -4.082 3.209) 5.648 7.942 ( 8.030 10.595 -12.731) 18.407 8.126 ( 0.214 -4.732 -4.282) 6.386 8.278 ( -2.979 -5.184 -1.157) 6.090 8.641 ( -2.977 1.110 -5.746) 6.566 8.862 ( 3.020 0.101 -1.987) 3.617 9.050 ( -2.018 1.229 2.757) 3.630 10.146 ( 0.060 1.290 4.844) 5.013 10.659 ( -1.317 -1.341 6.006) 6.293 11.076 ( 0.810 2.527 -2.776) 3.840 11.401 ( 1.602 -2.121 3.213) 4.170 11.591 ( -4.092 0.320 7.912) 8.913 11.718 ( 1.948 -0.504 -4.611) 5.031 12.683 ( -0.668 1.119 -4.305) 4.498 13.191 ( 1.301 -2.379 -10.077) 10.436 13.517 ( 3.538 1.604 -2.343) 4.536 13.857 ( 1.060 -0.913 -11.367) 11.453 13.949 ( -1.433 -0.763 -1.270) 2.062 14.520 ( 0.951 0.072 -5.348) 5.432 14.776 ( -5.790 3.011 0.695) 6.563 14.801 ( 4.615 -0.535 -1.725) 4.956 15.042 ( 1.209 1.331 -0.306) 1.824 15.401 ( -0.606 -0.861 0.996) 1.449 15.507 ( -0.999 -0.767 14.733) 14.787 15.667 ( -3.002 -0.287 17.674) 17.929 16.295 ( 0.325 -2.079 -1.354) 2.502 16.587 ( -0.006 1.825 -1.769) 2.542 24.161 ( -0.008 0.191 -0.105) 0.218 24.300 ( -0.428 -0.209 0.274) 0.550 24.321 ( 0.343 0.079 -0.504) 0.614 24.414 ( 0.115 -0.171 0.177) 0.271 25.561 ( -0.107 0.005 -0.058) 0.122 25.671 ( 0.124 -0.476 0.488) 0.693 25.851 ( -0.563 -0.569 1.327) 1.550 26.009 ( 0.428 1.470 -0.450) 1.596 26.373 ( -1.282 -0.979 8.052) 8.212 26.472 ( -0.780 0.241 6.065) 6.120 27.519 ( 1.900 -1.656 -12.131) 12.390 27.851 ( 2.574 3.447 -18.777) 19.264 28.451 ( 1.129 3.793 2.073) 4.468 28.481 ( -2.328 -3.179 2.306) 4.565 28.981 ( 0.729 -7.811 6.241) 10.025 29.118 ( -1.972 5.763 6.164) 8.666 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -2.413 -1.134 -1.385) 3.005 1.372 ( 3.998 1.091 2.918) 5.069 1.710 ( -2.526 8.187 4.977) 9.909 1.944 ( -4.294 5.741 9.387) 11.811 2.019 ( -1.999 5.231 3.442) 6.573 2.243 ( -6.156 2.816 1.249) 6.884 2.541 ( 3.958 7.535 -9.036) 12.413 2.719 ( 3.226 1.696 1.013) 3.783 2.880 ( -1.144 3.713 2.982) 4.897 2.997 ( 3.267 0.302 0.730) 3.361 3.122 ( 7.578 -14.531 0.823) 16.409 3.180 ( -1.455 1.116 -4.024) 4.422 3.359 ( -0.116 8.733 1.977) 8.954 3.593 ( -4.837 -8.885 -3.016) 10.557 3.708 ( -1.756 8.721 2.257) 9.177 3.892 ( 1.869 0.809 1.332) 2.434 4.184 ( -3.555 4.448 4.174) 7.060 4.338 ( -8.145 7.404 7.359) 13.241 4.567 ( -2.528 7.759 0.043) 8.161 4.716 ( 1.385 1.448 0.908) 2.200 4.872 ( 2.872 2.695 -2.872) 4.874 5.042 ( -4.463 4.219 0.276) 6.148 5.187 ( 3.416 -2.001 5.530) 6.801 5.319 ( 4.154 -3.725 0.471) 5.599 5.360 ( 3.357 0.984 -2.705) 4.422 5.567 ( 5.687 -0.838 1.269) 5.887 5.608 ( -2.431 0.761 1.003) 2.738 5.755 ( -0.696 -5.414 -2.202) 5.886 5.887 ( -6.258 -3.236 -3.806) 8.008 6.166 ( -3.668 2.151 -0.444) 4.275 6.228 ( -0.713 5.512 0.149) 5.560 6.359 ( -0.360 -0.754 4.194) 4.276 6.385 ( -4.501 2.760 3.511) 6.341 6.623 ( 1.889 1.250 -3.437) 4.117 6.788 ( -3.705 -0.990 -3.708) 5.335 6.891 ( 3.055 -4.876 3.761) 6.874 7.113 ( -2.905 5.614 2.587) 6.830 7.218 ( -0.293 6.680 0.276) 6.692 7.303 ( 1.074 10.802 -4.269) 11.664 7.538 ( 2.660 -4.955 -4.279) 7.067 7.730 ( 1.790 -0.309 -6.218) 6.478 7.747 ( 0.977 0.574 6.419) 6.518 7.893 ( 5.689 -2.828 1.058) 6.441 8.165 ( -0.294 -1.242 -6.813) 6.932 8.410 ( -5.920 -11.180 -6.802) 14.363 8.648 ( -2.564 -4.288 -5.376) 7.339 8.881 ( 4.906 0.830 -0.056) 4.976 9.097 ( 2.510 -5.408 2.748) 6.565 10.193 ( 6.966 -1.924 4.275) 8.397 10.686 ( -5.123 -3.563 7.391) 9.673 11.069 ( 9.406 2.616 -3.892) 10.510 11.460 ( -1.101 -2.946 4.963) 5.875 11.629 ( -0.964 -5.682 4.502) 7.313 11.749 ( -5.848 -4.876 -1.851) 7.835 12.571 ( -6.390 5.239 -4.340) 9.334 13.328 ( 5.656 -8.126 -8.544) 13.077 13.482 ( 7.500 5.982 -3.616) 10.252 13.818 ( -4.377 1.558 -11.759) 12.644 13.956 ( -0.743 -1.171 -0.972) 1.694 14.466 ( -7.540 2.522 -9.756) 12.586 14.665 ( -2.092 1.561 -1.169) 2.860 14.865 ( 1.840 0.040 -0.646) 1.951 15.014 ( 1.658 1.506 3.641) 4.275 15.421 ( 1.904 1.096 6.100) 6.484 15.561 ( -1.358 -4.078 12.794) 13.497 15.697 ( -2.157 -3.165 15.374) 15.844 16.323 ( 6.370 2.188 1.002) 6.809 16.560 ( -4.633 -1.620 -3.322) 5.927 24.163 ( 0.798 -0.146 -0.120) 0.820 24.291 ( -2.361 -0.569 0.154) 2.433 24.330 ( 2.195 0.590 -0.387) 2.305 24.417 ( 0.188 0.030 0.291) 0.347 25.556 ( -0.987 0.234 0.244) 1.043 25.672 ( -1.218 -0.601 1.070) 1.729 25.874 ( -0.228 -1.713 1.375) 2.208 25.996 ( -2.412 -0.961 -1.256) 2.885 26.399 ( -0.963 -1.555 8.252) 8.452 26.473 ( -0.454 -0.235 5.161) 5.186 27.483 ( 1.572 5.554 -9.864) 11.429 27.748 ( 6.140 8.256 -22.953) 25.153 28.373 ( -0.283 4.883 2.930) 5.702 28.522 ( -3.155 -3.393 0.895) 4.719 28.961 ( -1.868 1.938 14.508) 14.756 29.298 ( 7.675 -12.417 1.436) 14.668 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -4.304 10.380 -0.012) 11.237 1.367 ( 4.347 6.658 2.152) 8.237 1.410 ( -10.286 8.872 8.204) 15.869 1.580 ( -8.927 14.840 17.848) 24.869 2.118 ( 3.343 -5.151 -0.577) 6.168 2.261 ( -2.115 2.252 0.130) 3.092 2.393 ( -2.354 13.751 -1.449) 14.026 2.575 ( 1.075 7.260 3.985) 8.351 2.826 ( 1.968 2.207 -0.357) 2.978 2.934 ( 3.441 5.374 2.876) 6.999 3.113 ( -2.215 0.896 -5.471) 5.970 3.281 ( 3.465 2.451 -0.022) 4.245 3.453 ( 6.979 -7.471 -4.536) 11.184 3.484 ( 7.250 7.850 0.749) 10.712 3.694 ( -8.540 -7.880 0.474) 11.630 3.947 ( -2.122 -3.265 5.892) 7.062 4.076 ( -1.384 4.645 3.798) 6.157 4.146 ( -8.952 2.807 10.708) 14.237 4.402 ( 3.400 10.445 -3.086) 11.409 4.690 ( 1.279 6.285 -4.095) 7.609 4.798 ( -0.066 2.106 -1.752) 2.740 4.934 ( -5.184 1.733 -2.348) 5.949 5.269 ( 0.645 -3.576 3.202) 4.843 5.317 ( 3.388 0.781 -4.807) 5.933 5.474 ( 2.621 6.444 -8.076) 10.658 5.512 ( 1.172 0.460 5.064) 5.219 5.599 ( -0.295 -1.352 2.962) 3.269 5.840 ( -0.234 -3.474 0.595) 3.533 5.873 ( -7.759 -2.971 -2.102) 8.570 6.075 ( -2.970 6.320 2.442) 7.398 6.139 ( 0.846 -1.508 -2.918) 3.392 6.329 ( -3.211 0.641 -0.939) 3.406 6.361 ( -2.599 0.450 3.593) 4.457 6.579 ( -3.791 1.739 -1.663) 4.490 6.764 ( -2.565 2.335 -0.878) 3.578 6.919 ( -1.897 3.537 0.814) 4.095 7.052 ( -0.507 1.004 5.698) 5.808 7.120 ( 0.569 6.307 -1.569) 6.524 7.154 ( 7.572 1.315 -3.379) 8.395 7.573 ( -3.736 3.043 0.826) 4.889 7.711 ( 0.688 1.966 -2.795) 3.486 7.762 ( 2.929 -3.402 -4.629) 6.448 7.996 ( -0.689 -2.750 -0.577) 2.893 8.230 ( 3.653 -4.255 -5.440) 7.813 8.498 ( 0.337 -1.623 -11.616) 11.734 8.712 ( -4.910 -5.638 -4.142) 8.547 8.983 ( 9.931 -4.689 4.073) 11.713 9.269 ( 2.163 -9.584 7.209) 12.187 10.327 ( 10.203 -3.010 3.612) 11.235 10.729 ( -7.508 -5.594 9.157) 13.096 11.098 ( 12.593 4.683 -5.211) 14.411 11.544 ( -3.188 -7.313 6.735) 10.441 11.712 ( 0.587 -1.003 4.940) 5.075 11.844 ( -9.021 -12.418 -2.912) 15.622 12.393 ( -6.562 6.533 -2.479) 9.586 13.386 ( 7.419 7.236 -1.977) 10.550 13.552 ( 6.950 -4.073 -11.609) 14.130 13.754 ( -5.403 -5.092 -13.964) 15.815 13.980 ( 1.364 -1.156 -1.230) 2.170 14.279 ( -12.000 5.577 -15.078) 20.061 14.656 ( 0.437 0.146 0.287) 0.542 14.832 ( -1.177 1.961 -0.636) 2.374 15.022 ( 2.575 1.605 7.182) 7.797 15.394 ( 0.525 3.588 10.511) 11.119 15.675 ( -0.830 -7.152 11.205) 13.319 15.787 ( -2.115 -6.426 16.161) 17.520 16.325 ( 7.528 3.999 2.718) 8.947 16.561 ( -4.822 -3.116 -3.283) 6.613 24.180 ( 1.249 -0.693 0.030) 1.429 24.287 ( -1.922 -0.993 0.080) 2.165 24.329 ( 1.517 1.221 -0.351) 1.979 24.415 ( 0.292 0.541 0.228) 0.656 25.530 ( -1.966 1.210 1.430) 2.715 25.693 ( -2.468 -3.036 0.711) 3.977 25.905 ( -0.730 -1.601 1.392) 2.243 25.989 ( -4.412 -1.298 -1.540) 4.850 26.440 ( -1.105 -2.855 6.930) 7.576 26.489 ( 0.312 -0.862 3.325) 3.449 27.321 ( 0.254 10.267 -7.217) 12.552 27.568 ( 10.309 15.390 -29.467) 34.806 28.277 ( -1.011 4.523 3.266) 5.670 28.557 ( -2.789 -2.787 -0.812) 4.025 29.026 ( 1.530 -7.325 25.312) 26.395 29.617 ( 9.178 -12.093 0.509) 15.190 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -8.273 18.143 15.434) 25.215 0.943 ( -9.679 24.222 15.618) 30.402 1.357 ( -5.190 3.339 3.794) 7.244 1.463 ( -1.512 1.870 8.643) 8.972 1.679 ( -14.261 26.307 36.435) 47.148 2.227 ( 2.104 -3.153 -2.746) 4.681 2.293 ( 10.019 4.904 -8.267) 13.884 2.697 ( 1.607 -8.370 -1.811) 8.713 2.793 ( 4.308 2.615 -5.642) 7.566 2.944 ( 0.427 -1.805 3.501) 3.962 3.043 ( 2.200 3.553 -2.803) 5.032 3.315 ( 2.259 -2.361 0.841) 3.374 3.382 ( 2.158 3.231 -0.962) 4.002 3.657 ( 0.166 -4.081 -1.459) 4.337 3.760 ( 1.032 -2.698 3.559) 4.584 3.903 ( -3.881 0.859 0.643) 4.026 4.032 ( -3.830 1.194 4.198) 5.807 4.135 ( -1.784 -0.780 6.246) 6.543 4.201 ( 1.706 9.230 -2.570) 9.732 4.527 ( 1.765 8.604 -3.213) 9.352 4.743 ( 0.552 3.610 1.444) 3.927 4.936 ( -1.501 -3.889 -8.408) 9.385 5.247 ( 1.253 9.296 -15.960) 18.513 5.288 ( -3.668 0.314 5.857) 6.918 5.370 ( 6.050 0.548 -6.118) 8.621 5.545 ( -4.533 -5.009 4.841) 8.310 5.681 ( 1.679 -3.140 1.559) 3.887 5.831 ( -3.466 1.977 4.774) 6.222 5.877 ( -4.891 -2.929 1.112) 5.808 5.987 ( -6.078 -1.233 2.577) 6.717 6.179 ( -5.926 2.035 -8.441) 10.512 6.294 ( 0.132 2.272 -4.054) 4.649 6.313 ( 0.799 -3.196 -2.713) 4.267 6.541 ( -6.249 -3.219 5.279) 8.791 6.648 ( 1.136 6.734 0.662) 6.862 6.815 ( -0.208 7.106 2.141) 7.424 6.959 ( 0.177 13.027 -4.989) 13.951 7.073 ( 0.880 -2.949 1.795) 3.563 7.218 ( 6.057 2.151 -2.428) 6.871 7.479 ( -5.701 -0.593 -2.097) 6.103 7.620 ( -3.383 3.941 0.145) 5.196 7.895 ( 7.426 -3.935 -7.118) 11.014 8.009 ( -1.626 -0.846 -1.328) 2.263 8.231 ( 1.638 6.543 -13.169) 14.796 8.548 ( 2.335 -3.710 -0.322) 4.396 8.768 ( -1.747 -3.787 -5.139) 6.619 9.142 ( 6.920 -1.642 5.641) 9.077 9.603 ( 5.063 -22.667 15.803) 28.092 10.469 ( 9.338 -1.881 3.556) 10.168 10.784 ( -7.021 -4.237 9.497) 12.548 11.083 ( 9.006 5.431 -6.835) 12.543 11.686 ( -5.052 -9.268 14.685) 18.085 11.739 ( -0.166 -2.418 0.279) 2.439 11.992 ( -4.305 -8.000 -2.023) 9.308 12.211 ( -4.405 6.680 -3.895) 8.900 13.274 ( 14.553 16.177 -9.708) 23.827 13.518 ( -11.949 0.337 -11.631) 16.678 13.943 ( 2.514 -12.206 -15.798) 20.122 13.985 ( 1.758 6.002 -6.810) 9.246 14.068 ( -8.559 -0.747 -4.140) 9.537 14.634 ( -0.077 2.267 1.652) 2.806 14.796 ( -0.314 1.348 0.213) 1.400 14.998 ( 1.912 3.555 11.164) 11.871 15.341 ( -0.124 2.952 11.840) 12.203 15.782 ( -0.816 -3.081 -1.921) 3.722 16.073 ( 0.396 -23.594 26.058) 35.154 16.315 ( 1.079 0.238 2.569) 2.797 16.587 ( 0.468 -1.999 -0.178) 2.061 24.210 ( 1.074 -1.168 0.212) 1.601 24.297 ( -1.169 -1.283 -0.300) 1.762 24.310 ( 1.051 1.653 0.246) 1.974 24.399 ( 0.005 1.373 -0.256) 1.396 25.489 ( -1.942 1.229 2.436) 3.349 25.727 ( -8.105 -4.270 -1.803) 9.337 25.921 ( -1.219 -0.743 1.752) 2.261 25.966 ( -2.832 -0.219 -0.639) 2.912 26.507 ( -0.906 -2.302 2.345) 3.409 26.526 ( 1.451 -3.662 4.416) 5.918 27.092 ( -1.960 12.423 -10.791) 16.571 27.219 ( 13.267 27.021 -24.921) 39.079 28.202 ( -0.869 2.621 3.676) 4.598 28.577 ( -1.667 -1.517 -2.131) 3.102 29.402 ( 5.048 -26.562 31.306) 41.366 29.898 ( 9.575 -8.234 2.123) 12.805 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 18.360 0.000 12.325) 22.113 0.821 ( 16.907 0.000 22.047) 27.784 1.246 ( 10.994 0.000 10.117) 14.940 1.348 ( -4.429 -0.000 -2.114) 4.908 1.669 ( 5.856 0.000 39.639) 40.069 2.252 ( 0.629 0.000 -4.347) 4.392 2.449 ( 1.266 0.000 2.960) 3.220 2.699 ( -6.209 -0.000 -1.147) 6.314 2.831 ( 3.403 0.000 -6.320) 7.178 2.935 ( -2.268 -0.000 -0.074) 2.269 3.190 ( 5.026 0.000 -3.235) 5.978 3.288 ( -3.982 -0.000 8.089) 9.016 3.385 ( 1.036 0.000 1.024) 1.457 3.547 ( -2.365 -0.000 -1.531) 2.817 3.720 ( -5.602 -0.000 -0.350) 5.613 3.852 ( -8.506 -0.000 3.655) 9.258 3.989 ( 2.875 0.000 0.578) 2.933 4.078 ( -1.333 -0.000 -2.352) 2.704 4.300 ( 9.446 0.000 3.936) 10.233 4.479 ( 3.857 0.000 0.227) 3.863 4.781 ( -8.018 -0.000 -10.323) 13.071 5.049 ( -2.099 -0.000 -21.933) 22.033 5.202 ( 0.122 0.000 1.708) 1.712 5.350 ( -1.443 -0.000 -9.229) 9.341 5.364 ( 7.791 0.000 0.678) 7.820 5.554 ( 1.157 0.000 4.456) 4.604 5.605 ( -2.158 -0.000 2.985) 3.683 5.718 ( -3.115 -0.000 4.460) 5.440 5.971 ( 16.110 0.000 -14.337) 21.566 6.047 ( 6.117 0.000 2.990) 6.809 6.111 ( 0.666 0.000 -2.277) 2.372 6.280 ( 4.486 0.000 1.211) 4.646 6.479 ( 3.270 0.000 -0.210) 3.277 6.603 ( 1.149 0.000 -1.666) 2.024 6.642 ( -0.448 -0.000 2.678) 2.715 6.721 ( 11.546 0.000 -3.104) 11.956 6.801 ( 7.659 0.000 3.158) 8.285 7.115 ( -2.016 -0.000 1.621) 2.586 7.218 ( -0.621 -0.000 3.173) 3.233 7.426 ( -5.233 -0.000 2.355) 5.739 7.536 ( 3.085 0.000 -8.884) 9.405 7.926 ( -4.077 -0.000 -1.582) 4.373 8.061 ( 3.450 0.000 -3.527) 4.934 8.204 ( 1.736 0.000 -12.673) 12.791 8.550 ( -2.481 -0.000 1.138) 2.730 8.826 ( 5.716 0.000 -6.623) 8.749 9.234 ( -3.555 -0.000 8.236) 8.970 9.477 ( -36.007 -0.000 14.658) 38.876 10.447 ( -9.598 -0.000 6.956) 11.854 10.809 ( 3.049 0.000 7.465) 8.064 10.996 ( -5.792 -0.000 -8.395) 10.199 11.744 ( -6.877 -0.000 21.210) 22.297 11.842 ( -0.291 -0.000 5.676) 5.683 12.012 ( 7.076 0.000 -5.196) 8.779 12.262 ( 11.787 0.000 -14.622) 18.781 13.066 ( 2.722 0.000 3.194) 4.196 13.593 ( 10.559 0.000 -7.618) 13.020 13.906 ( -7.660 -0.000 -19.344) 20.805 13.995 ( 6.354 0.000 1.880) 6.626 14.302 ( 14.738 0.000 -21.698) 26.230 14.650 ( 2.455 0.000 0.988) 2.646 14.845 ( 6.061 0.000 -0.754) 6.107 15.066 ( 1.010 0.000 15.878) 15.910 15.325 ( -2.702 -0.000 11.040) 11.366 15.759 ( -1.872 -0.000 -2.912) 3.462 16.129 ( -9.704 -0.000 -1.111) 9.767 16.149 ( -31.440 -0.000 25.120) 40.243 16.627 ( 6.547 0.000 -4.403) 7.889 24.244 ( 0.202 0.000 1.049) 1.069 24.247 ( -2.400 -0.000 -0.745) 2.513 24.351 ( -1.249 -0.000 -0.846) 1.509 24.369 ( 2.125 0.000 0.641) 2.220 25.483 ( 2.154 0.000 2.865) 3.584 25.863 ( -3.403 -0.000 -0.074) 3.403 25.892 ( 7.987 0.000 -7.930) 11.255 26.029 ( 9.303 0.000 -1.745) 9.465 26.534 ( -0.297 -0.000 2.161) 2.181 26.646 ( 2.501 0.000 1.177) 2.765 26.981 ( 0.028 0.000 -4.914) 4.914 27.052 ( 14.314 0.000 -18.592) 23.464 28.193 ( 1.126 0.000 4.548) 4.685 28.598 ( 2.954 0.000 -3.069) 4.260 29.294 ( -50.739 -0.000 38.651) 63.784 29.822 ( -6.406 -0.000 2.712) 6.956 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 17.973 -14.061 4.912) 23.342 1.117 ( 12.756 -9.245 8.917) 18.102 1.298 ( -4.762 0.051 -1.588) 5.020 1.447 ( 6.103 -8.056 6.645) 12.096 2.035 ( 12.334 -15.496 23.158) 30.472 2.196 ( 4.213 -1.750 5.282) 6.979 2.427 ( -8.077 0.459 3.274) 8.727 2.612 ( -5.004 1.875 -0.329) 5.354 2.886 ( 1.611 -1.001 -4.829) 5.188 2.926 ( -0.414 -2.462 -2.060) 3.237 3.171 ( -5.577 -2.457 -0.693) 6.133 3.295 ( 4.517 2.243 6.129) 7.937 3.390 ( -1.878 0.698 -2.164) 2.949 3.519 ( 1.553 0.877 -6.815) 7.044 3.667 ( -7.958 2.117 4.997) 9.633 3.869 ( -1.268 -5.863 6.325) 8.717 4.016 ( 1.173 0.438 1.329) 1.826 4.136 ( -2.901 -8.463 -3.240) 9.515 4.283 ( 9.212 5.649 3.359) 11.316 4.613 ( 3.421 -6.112 1.769) 7.224 4.696 ( -7.691 -0.583 -9.999) 12.628 5.057 ( -2.838 -4.853 -16.368) 17.307 5.198 ( -4.264 -1.650 5.336) 7.026 5.244 ( 2.606 3.248 -5.177) 6.644 5.398 ( 0.608 1.998 4.509) 4.969 5.536 ( 2.614 4.131 1.405) 5.087 5.637 ( -6.248 -2.663 4.691) 8.254 5.744 ( 2.907 -1.782 -0.635) 3.469 5.942 ( 7.448 8.500 -1.876) 11.456 6.081 ( 7.038 2.495 1.800) 7.681 6.169 ( 8.583 -5.236 -7.929) 12.804 6.314 ( 1.006 -0.503 1.766) 2.093 6.421 ( 2.150 5.762 0.439) 6.165 6.562 ( 5.427 2.254 -4.455) 7.374 6.671 ( -0.498 -1.266 2.615) 2.948 6.870 ( 4.731 -5.001 2.072) 7.189 7.072 ( 1.751 -5.152 0.130) 5.443 7.111 ( 2.487 -6.573 1.554) 7.198 7.263 ( -1.463 -3.765 5.079) 6.489 7.352 ( -1.602 1.048 -6.546) 6.820 7.612 ( 1.297 -4.066 -5.825) 7.221 7.886 ( -3.153 0.933 -1.028) 3.445 8.013 ( -2.748 5.592 -1.442) 6.395 8.200 ( -0.443 -0.726 -12.114) 12.144 8.574 ( 1.839 -2.934 -1.248) 3.681 8.813 ( 6.177 5.780 -6.606) 10.733 9.113 ( -20.635 7.532 6.993) 23.053 9.226 ( -7.689 -1.078 7.029) 10.473 10.386 ( -9.889 0.515 7.590) 12.476 10.781 ( 1.010 4.754 5.504) 7.342 10.962 ( -6.922 -3.192 -6.253) 9.860 11.619 ( -1.884 7.306 13.843) 15.766 11.796 ( -1.363 3.328 7.708) 8.505 12.131 ( 9.237 4.735 -4.835) 11.451 12.335 ( 10.953 -4.799 -9.464) 15.250 13.193 ( -1.395 -8.714 1.234) 8.911 13.581 ( -0.721 7.621 -8.730) 11.611 13.774 ( 0.458 2.687 -16.294) 16.521 14.036 ( 7.618 2.631 0.872) 8.107 14.419 ( 10.165 -2.771 -19.524) 22.185 14.697 ( 3.656 -2.246 -0.752) 4.356 14.875 ( 5.503 2.290 -0.521) 5.983 15.099 ( -1.554 -0.797 11.605) 11.736 15.324 ( -4.054 -1.462 9.528) 10.457 15.717 ( -1.930 2.432 -0.604) 3.163 15.832 ( -13.480 8.722 28.377) 32.604 16.073 ( -9.188 -3.092 -1.446) 9.801 16.690 ( 4.588 -0.572 -3.019) 5.522 24.201 ( -1.154 1.329 0.199) 1.771 24.275 ( -0.342 -1.637 0.273) 1.694 24.330 ( -1.401 0.708 -0.804) 1.764 24.388 ( 0.979 -0.368 0.488) 1.154 25.524 ( 3.352 -1.137 2.760) 4.489 25.757 ( 0.279 5.843 -1.418) 6.020 25.896 ( -0.508 1.346 -0.657) 1.582 26.114 ( 9.026 0.094 -1.052) 9.088 26.490 ( -1.083 2.455 4.892) 5.579 26.627 ( 3.407 9.670 0.130) 10.253 26.972 ( -1.845 -11.972 -8.742) 14.939 27.449 ( 5.070 -18.384 -23.418) 30.201 28.242 ( 1.985 -3.059 4.646) 5.906 28.608 ( 4.007 1.801 -2.485) 5.047 28.897 ( -26.249 5.374 33.340) 42.772 29.716 ( -10.589 4.830 1.698) 11.762 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -3.193 -1.706 -2.842) 4.602 1.304 ( 2.771 -3.413 -0.859) 4.480 1.394 ( 10.971 -10.393 3.350) 15.479 1.773 ( 11.505 -15.359 16.416) 25.254 1.980 ( -2.722 4.304 -0.734) 5.145 2.301 ( -9.277 1.783 2.114) 9.681 2.580 ( -5.754 -4.659 1.905) 7.645 2.737 ( 11.510 -14.282 10.272) 21.023 2.843 ( -4.229 1.974 2.280) 5.194 2.983 ( 0.107 -1.135 -8.511) 8.587 3.217 ( -3.259 0.557 4.885) 5.899 3.277 ( 0.966 -2.628 -1.077) 2.999 3.343 ( 1.883 3.792 -5.627) 7.042 3.547 ( -2.160 1.307 4.108) 4.821 3.565 ( 2.004 -6.056 -2.365) 6.804 3.952 ( -2.663 4.141 3.075) 5.805 4.071 ( 6.641 -9.854 5.053) 12.912 4.259 ( 1.688 -4.133 3.207) 5.497 4.340 ( 3.690 -4.411 -2.145) 6.138 4.651 ( -4.867 -2.234 -1.602) 5.590 4.768 ( 2.137 -6.694 -1.835) 7.262 5.107 ( -5.056 -5.460 -8.266) 11.122 5.196 ( -6.439 -0.085 0.471) 6.456 5.231 ( 1.403 -1.339 2.976) 3.552 5.386 ( 1.446 1.979 5.029) 5.595 5.461 ( 2.159 4.703 -0.710) 5.223 5.610 ( -2.677 0.011 1.391) 3.017 5.774 ( 2.774 2.014 -2.082) 4.011 5.940 ( 2.181 -3.362 -4.718) 6.190 6.050 ( 3.493 5.324 4.623) 7.868 6.292 ( -1.127 2.171 1.632) 2.941 6.339 ( 5.043 -3.806 -1.532) 6.501 6.411 ( 4.341 -1.968 5.563) 7.326 6.553 ( 5.000 0.881 -9.075) 10.399 6.714 ( -0.760 -2.420 4.275) 4.972 6.931 ( 1.463 1.709 -1.441) 2.672 7.134 ( 1.561 -3.807 1.147) 4.272 7.273 ( -1.165 -6.924 2.437) 7.433 7.335 ( -0.941 -3.569 2.853) 4.665 7.382 ( 3.960 -3.155 -3.987) 6.444 7.652 ( -0.713 -0.264 -4.784) 4.844 7.783 ( -5.679 7.200 -2.164) 9.422 7.897 ( -1.535 0.415 1.144) 1.959 8.199 ( 0.111 -0.547 -6.453) 6.478 8.591 ( 8.737 9.655 -10.961) 17.020 8.769 ( 1.483 -1.862 -0.565) 2.446 8.836 ( -12.132 6.270 -1.709) 13.763 9.174 ( -6.470 1.551 4.106) 7.819 10.265 ( -7.204 4.257 7.077) 10.959 10.704 ( -1.864 2.996 3.932) 5.284 10.971 ( -6.627 -4.272 -3.094) 8.470 11.498 ( 0.592 6.031 8.220) 10.212 11.714 ( -3.102 4.200 9.875) 11.171 12.012 ( 10.423 12.495 -7.402) 17.876 12.560 ( 9.636 -7.359 -4.984) 13.109 13.340 ( -5.627 9.400 -11.610) 15.963 13.345 ( -2.598 -8.444 0.025) 8.835 13.782 ( 4.666 -1.005 -11.544) 12.492 14.036 ( 8.100 4.088 -0.972) 9.125 14.508 ( 4.458 -1.508 -10.385) 11.402 14.783 ( 4.084 -2.176 -3.306) 5.687 14.866 ( 4.069 2.467 0.330) 4.770 15.080 ( -3.120 1.254 5.680) 6.601 15.331 ( -4.763 -2.088 5.827) 7.810 15.615 ( -3.161 5.132 11.136) 12.662 15.704 ( -4.213 1.914 17.238) 17.848 16.090 ( -6.530 -5.838 -1.136) 8.833 16.710 ( 3.606 1.964 -2.371) 4.742 24.176 ( -0.360 0.660 0.168) 0.771 24.297 ( -2.592 -1.032 -0.207) 2.798 24.309 ( 1.310 0.377 -0.235) 1.384 24.400 ( -0.116 -0.378 0.329) 0.514 25.576 ( 3.330 -0.345 1.669) 3.741 25.675 ( 0.325 2.595 -0.076) 2.616 25.863 ( -1.329 1.008 0.133) 1.674 26.165 ( 7.475 2.894 1.000) 8.078 26.409 ( -1.602 5.256 4.287) 6.969 26.504 ( -0.760 2.567 3.414) 4.338 27.211 ( -0.237 -13.082 -10.507) 16.781 27.718 ( 0.520 -10.460 -20.531) 23.048 28.341 ( 1.356 -4.220 4.494) 6.312 28.597 ( 4.703 2.781 -1.450) 5.653 28.735 ( -11.238 -1.545 20.237) 23.200 29.481 ( -10.383 9.193 1.626) 13.962 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -4.845 -0.098 1.938) 5.219 1.366 ( 3.368 -1.139 1.591) 3.895 1.610 ( 7.377 -5.220 -2.892) 9.489 1.897 ( -5.511 0.441 0.516) 5.553 2.151 ( 4.321 -9.650 14.376) 17.846 2.358 ( 3.779 -9.175 3.169) 10.417 2.602 ( -9.062 -3.215 2.517) 9.939 2.705 ( -6.898 4.675 0.245) 8.337 2.894 ( -2.321 -3.328 0.922) 4.161 2.954 ( -0.738 3.889 -4.261) 5.816 3.157 ( 3.357 6.568 7.996) 10.879 3.195 ( 3.044 4.443 -4.102) 6.770 3.317 ( 1.248 2.583 -7.652) 8.173 3.673 ( 0.147 -8.420 2.908) 8.909 3.744 ( 2.860 -5.260 0.279) 5.994 3.823 ( -0.917 5.696 -1.105) 5.874 4.304 ( -1.784 0.313 4.623) 4.965 4.401 ( 4.817 -10.550 2.375) 11.838 4.457 ( 7.774 -6.944 -2.781) 10.788 4.713 ( 2.343 -5.182 4.042) 6.977 4.870 ( -2.390 -4.583 -1.938) 5.521 5.134 ( -2.334 2.682 3.284) 4.840 5.192 ( -3.930 -6.720 0.450) 7.797 5.277 ( 1.106 -2.889 2.548) 4.007 5.341 ( -2.652 1.675 4.070) 5.139 5.398 ( -1.558 2.443 0.650) 2.969 5.585 ( -0.576 1.602 -2.413) 2.952 5.724 ( -1.117 3.024 -2.209) 3.908 5.920 ( 3.024 5.645 0.132) 6.405 6.126 ( 1.799 -8.751 -4.557) 10.029 6.236 ( -2.887 1.554 0.091) 3.280 6.351 ( -0.689 2.534 2.456) 3.596 6.507 ( 5.260 -0.809 6.422) 8.341 6.645 ( 7.229 -2.807 -4.452) 8.942 6.724 ( -4.975 -0.979 1.007) 5.169 6.888 ( 1.722 2.505 -3.315) 4.497 7.230 ( -0.229 -4.569 4.258) 6.250 7.321 ( 0.734 0.984 -5.411) 5.549 7.406 ( -5.569 -3.905 1.996) 7.089 7.474 ( 4.123 -2.118 1.326) 4.822 7.630 ( -2.389 -0.824 -1.930) 3.180 7.646 ( 2.956 2.473 0.516) 3.888 7.914 ( -1.733 -2.358 -2.069) 3.584 8.198 ( -4.408 -1.177 -1.987) 4.976 8.388 ( 10.337 15.412 -11.283) 21.719 8.657 ( -5.282 3.675 -5.489) 8.458 8.848 ( 1.924 -2.971 -1.758) 3.952 9.075 ( -4.505 3.338 2.721) 6.232 10.165 ( -2.099 1.590 5.776) 6.348 10.646 ( -4.180 0.783 4.000) 5.839 11.005 ( -4.674 -4.784 -0.921) 6.751 11.431 ( 2.643 2.849 4.692) 6.092 11.610 ( -5.035 4.156 10.536) 12.394 11.867 ( 8.650 9.647 -7.706) 15.076 12.709 ( 5.028 -0.301 -4.673) 6.871 13.163 ( -2.298 1.530 -11.837) 12.155 13.474 ( -1.022 -5.976 0.410) 6.077 13.825 ( 1.815 -1.262 -9.923) 10.166 14.024 ( 8.378 4.331 -3.156) 9.945 14.526 ( -0.267 0.612 -4.996) 5.040 14.777 ( -5.509 2.406 -1.600) 6.221 14.864 ( 5.940 1.608 1.054) 6.243 15.064 ( 1.152 -0.050 -0.928) 1.480 15.339 ( -3.465 -2.668 1.155) 4.523 15.540 ( -1.084 2.274 14.759) 14.972 15.667 ( -3.295 0.869 16.417) 16.767 16.172 ( -3.467 -7.069 -0.702) 7.905 16.672 ( 2.335 4.292 -2.324) 5.411 24.169 ( 0.635 0.307 0.005) 0.705 24.278 ( -2.870 -0.240 -0.293) 2.895 24.330 ( 1.882 -0.389 -0.007) 1.922 24.404 ( -0.674 -0.505 0.213) 0.869 25.584 ( 1.822 1.462 0.024) 2.336 25.662 ( 0.066 -0.176 0.821) 0.842 25.841 ( -1.020 0.080 0.792) 1.294 26.112 ( 3.829 6.835 0.000) 7.835 26.354 ( -1.629 -0.389 6.310) 6.529 26.479 ( -1.083 0.522 6.003) 6.122 27.415 ( 1.379 -8.650 -12.356) 15.145 27.833 ( 0.079 -4.200 -17.328) 17.830 28.408 ( -1.898 -2.412 5.073) 5.929 28.565 ( 4.318 4.689 -0.455) 6.391 28.814 ( -1.303 -9.371 9.378) 13.321 29.226 ( -7.871 8.403 3.768) 12.114 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -2.619 -0.184 2.262) 3.465 1.411 ( 2.577 -0.084 2.051) 3.295 1.764 ( 6.452 -3.803 0.637) 7.516 1.896 ( -0.640 -4.171 -0.791) 4.294 2.207 ( -13.951 5.162 2.134) 15.028 2.258 ( -1.960 12.585 12.242) 17.666 2.612 ( -2.494 -0.590 -2.867) 3.846 2.806 ( -4.212 -6.515 2.977) 8.310 2.884 ( 12.002 -3.535 -0.830) 12.539 2.938 ( -1.089 -1.504 1.294) 2.263 3.074 ( 4.278 4.930 0.509) 6.547 3.206 ( 5.641 -1.026 -3.800) 6.878 3.293 ( -6.241 -3.508 -1.674) 7.352 3.642 ( 3.346 8.138 -0.781) 8.834 3.752 ( -5.321 2.421 5.046) 7.723 3.863 ( -1.612 -5.860 -0.157) 6.079 4.256 ( 0.813 3.828 4.148) 5.702 4.434 ( 1.339 3.242 -7.719) 8.478 4.655 ( 0.127 2.122 2.476) 3.263 4.748 ( 0.169 0.331 5.642) 5.655 4.973 ( 4.761 3.159 0.035) 5.714 5.062 ( 0.102 0.552 2.689) 2.747 5.203 ( -3.723 1.128 5.386) 6.644 5.300 ( 5.253 -1.745 1.014) 5.627 5.409 ( 0.598 -3.483 4.496) 5.719 5.448 ( -6.236 -10.831 0.272) 12.501 5.549 ( -0.748 -0.591 -3.047) 3.193 5.661 ( -2.943 0.365 -2.750) 4.044 5.860 ( 2.399 2.638 -1.569) 3.896 6.174 ( -3.593 1.829 -1.505) 4.304 6.263 ( -0.308 -2.033 -3.197) 3.801 6.319 ( 0.002 -1.088 3.221) 3.400 6.464 ( -3.644 6.678 5.950) 9.658 6.672 ( 0.609 1.032 -5.200) 5.336 6.754 ( 3.553 -1.151 -2.642) 4.575 6.874 ( 2.785 -0.010 2.519) 3.755 7.216 ( -0.089 5.065 0.423) 5.083 7.341 ( -1.141 5.169 2.762) 5.971 7.394 ( 1.970 -5.326 -2.903) 6.378 7.494 ( 1.005 3.078 -1.875) 3.741 7.701 ( -1.971 -7.038 2.021) 7.583 7.710 ( 5.785 -3.344 -1.600) 6.871 7.920 ( -3.861 -0.675 -6.826) 7.871 8.143 ( -7.292 -0.806 0.069) 7.337 8.238 ( 6.492 6.054 -4.953) 10.165 8.593 ( 0.031 0.283 -7.085) 7.091 8.901 ( 0.716 -1.490 0.481) 1.721 9.034 ( 0.387 -2.400 -0.042) 2.432 10.196 ( 3.400 -3.060 5.071) 6.829 10.609 ( -5.116 -0.491 4.889) 7.093 11.083 ( 0.466 -5.915 -1.734) 6.182 11.447 ( 1.570 -0.480 6.149) 6.364 11.509 ( -5.201 1.093 4.503) 6.966 11.774 ( 4.121 5.204 -4.179) 7.844 12.638 ( -1.975 6.245 -4.536) 7.967 13.226 ( 4.785 -6.375 -10.765) 13.395 13.546 ( -0.633 -2.043 -0.812) 2.288 13.815 ( -1.047 1.715 -8.870) 9.094 14.007 ( 7.438 3.937 -3.411) 9.081 14.453 ( -6.673 3.319 -6.078) 9.617 14.677 ( -2.411 2.104 -1.714) 3.631 14.900 ( 4.306 0.677 0.551) 4.394 15.048 ( -0.563 1.261 0.088) 1.383 15.402 ( 0.226 -4.506 1.846) 4.875 15.530 ( -1.111 0.246 14.679) 14.723 15.658 ( -2.772 -0.712 16.078) 16.331 16.291 ( -0.367 -6.896 -0.361) 6.915 16.586 ( 0.557 5.349 -2.245) 5.828 24.174 ( 1.508 0.159 -0.069) 1.518 24.259 ( -2.756 -0.455 -0.025) 2.794 24.351 ( 1.725 -0.055 -0.157) 1.733 24.409 ( -0.674 -0.614 0.100) 0.917 25.572 ( 1.273 1.152 -0.026) 1.717 25.655 ( -1.883 0.214 0.495) 1.959 25.847 ( -0.139 -1.028 1.195) 1.583 26.021 ( 0.762 4.024 -0.325) 4.109 26.373 ( -1.070 -1.289 7.981) 8.155 26.472 ( -0.967 0.054 6.077) 6.153 27.519 ( 1.659 -1.817 -12.092) 12.339 27.851 ( 2.883 0.910 -18.903) 19.143 28.434 ( -2.078 -1.657 2.642) 3.747 28.496 ( 1.914 4.969 1.331) 5.488 28.979 ( -2.885 -1.039 7.644) 8.236 29.125 ( 0.822 -7.551 5.227) 9.220 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.014 -1.086 -0.451) 1.176 1.402 ( -1.265 2.020 0.944) 2.563 1.709 ( 0.070 16.929 7.113) 18.363 1.871 ( -5.412 14.417 10.585) 18.686 2.023 ( -2.302 -2.623 2.261) 4.158 2.135 ( -1.325 -7.839 -0.369) 7.959 2.579 ( 3.897 5.167 -7.359) 9.800 2.774 ( 1.404 3.981 1.788) 4.584 2.888 ( -0.150 5.879 6.274) 8.600 3.025 ( 0.188 -0.750 -2.462) 2.580 3.130 ( 0.812 -0.206 -0.736) 1.115 3.262 ( 1.095 -4.034 -0.085) 4.181 3.403 ( 4.688 -9.429 0.121) 10.531 3.539 ( 2.106 4.748 -3.063) 6.030 3.654 ( -5.615 1.715 5.213) 7.851 3.911 ( -0.494 0.617 0.891) 1.191 4.144 ( -1.817 7.526 3.364) 8.441 4.259 ( -3.307 11.908 9.882) 15.824 4.547 ( 1.266 2.975 -5.106) 6.044 4.759 ( 2.535 1.724 0.043) 3.066 4.910 ( 1.657 5.568 -1.665) 6.043 4.968 ( -3.320 6.113 1.190) 7.058 5.200 ( -1.465 -2.507 2.953) 4.141 5.381 ( 0.072 2.201 -3.458) 4.100 5.453 ( 2.859 -2.855 3.851) 5.582 5.515 ( -0.521 -1.307 -1.660) 2.176 5.596 ( -3.786 -2.749 0.904) 4.765 5.722 ( -1.542 -6.144 -0.265) 6.340 5.863 ( 3.317 -0.003 -2.521) 4.167 6.098 ( -2.460 1.996 -3.226) 4.522 6.218 ( -0.738 5.150 -0.844) 5.271 6.315 ( -3.615 1.397 3.904) 5.501 6.357 ( -0.651 0.571 2.856) 2.985 6.616 ( -1.563 3.606 -5.149) 6.477 6.776 ( 1.948 0.593 -1.789) 2.711 6.945 ( 1.492 -1.989 3.100) 3.974 7.101 ( 0.630 5.853 4.228) 7.247 7.219 ( 0.008 6.058 3.948) 7.231 7.335 ( 4.431 8.307 -7.279) 11.900 7.564 ( 0.146 -4.094 -1.378) 4.323 7.725 ( -3.571 1.173 1.959) 4.239 7.782 ( 5.298 1.459 -6.353) 8.400 7.930 ( -0.637 -3.446 -2.553) 4.336 8.159 ( -0.325 -3.732 -4.280) 5.688 8.292 ( -4.597 -11.448 -1.749) 12.460 8.605 ( 0.695 -2.065 -7.842) 8.139 8.966 ( 2.731 -4.540 4.687) 7.074 9.141 ( 2.148 -5.583 -0.191) 5.985 10.333 ( 6.364 -5.619 4.958) 9.831 10.585 ( -7.120 -1.785 6.355) 9.709 11.239 ( 10.548 -3.935 -4.121) 11.989 11.413 ( -5.647 -1.701 1.293) 6.038 11.565 ( -5.524 -6.989 5.339) 10.385 11.724 ( 1.290 1.364 0.077) 1.879 12.483 ( -1.910 7.039 -2.104) 7.591 13.403 ( 5.601 -7.275 -10.145) 13.683 13.546 ( -2.021 -0.631 -4.391) 4.875 13.724 ( -0.636 5.102 -8.943) 10.316 14.009 ( 5.946 1.446 -1.571) 6.317 14.289 ( -6.643 5.635 -11.905) 14.752 14.655 ( 0.284 -0.180 -0.268) 0.430 14.874 ( 0.633 3.173 -3.237) 4.576 15.056 ( 0.877 -0.917 6.784) 6.901 15.458 ( -0.200 0.950 11.019) 11.062 15.562 ( -2.167 -4.385 9.500) 10.685 15.693 ( -2.294 -3.226 13.898) 14.450 16.424 ( 1.879 -6.003 0.066) 6.291 16.476 ( -1.146 5.366 -1.690) 5.741 24.186 ( 1.625 0.006 0.123) 1.630 24.250 ( -2.132 -0.897 -0.051) 2.314 24.359 ( 1.203 0.583 -0.055) 1.338 24.415 ( -0.489 -0.405 -0.154) 0.653 25.553 ( 0.417 1.811 0.595) 1.951 25.639 ( -2.197 -0.864 0.374) 2.390 25.872 ( -0.226 -1.394 0.927) 1.689 25.974 ( -0.054 1.260 -0.046) 1.262 26.398 ( -1.513 -1.456 8.104) 8.372 26.478 ( -0.496 -0.633 4.806) 4.872 27.471 ( 0.229 5.948 -9.934) 11.580 27.809 ( 7.293 5.478 -24.651) 26.285 28.379 ( 0.490 5.774 1.624) 6.018 28.484 ( -1.451 -2.544 0.768) 3.028 28.951 ( -4.199 -1.515 17.103) 17.676 29.404 ( 3.503 -14.797 1.768) 15.308 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -1.563 14.833 2.052) 15.055 1.273 ( -5.716 11.807 9.430) 16.155 1.414 ( 0.812 8.443 -2.026) 8.720 1.544 ( -2.410 10.426 17.496) 20.509 2.088 ( -4.745 -0.429 5.104) 6.982 2.237 ( 2.796 7.762 5.588) 9.964 2.490 ( 8.752 6.996 -5.906) 12.666 2.590 ( -1.457 5.907 4.321) 7.463 2.853 ( 1.421 -0.069 1.214) 1.870 2.986 ( 0.625 4.138 1.046) 4.314 3.106 ( 3.192 0.575 -2.512) 4.102 3.329 ( 2.735 1.597 -2.130) 3.816 3.495 ( 2.046 4.725 -4.972) 7.158 3.499 ( -8.759 -5.094 3.611) 10.757 3.718 ( 7.867 -7.063 -1.255) 10.647 3.872 ( -4.904 -2.025 4.171) 6.749 4.032 ( -5.198 8.342 8.698) 13.124 4.092 ( -0.750 -1.347 7.593) 7.748 4.451 ( 1.669 10.538 -3.247) 11.152 4.708 ( 2.147 6.876 -5.514) 9.072 4.831 ( -5.233 1.577 -2.208) 5.894 4.861 ( 8.640 1.320 -0.613) 8.761 5.258 ( -1.369 -2.550 2.750) 3.992 5.364 ( 2.377 0.268 -5.051) 5.589 5.391 ( -7.943 4.315 -6.270) 11.001 5.496 ( -1.437 1.724 1.665) 2.794 5.648 ( 0.840 -2.882 0.598) 3.061 5.784 ( 0.375 -1.223 -1.706) 2.132 5.854 ( 0.143 0.950 1.870) 2.102 6.020 ( -3.037 5.803 0.792) 6.597 6.179 ( 3.578 -1.001 -1.813) 4.134 6.295 ( 0.763 0.739 -4.746) 4.863 6.335 ( -1.803 0.181 3.177) 3.657 6.502 ( -2.525 4.444 -1.387) 5.296 6.751 ( -0.800 3.125 0.814) 3.327 6.906 ( -0.409 3.491 2.311) 4.207 7.064 ( 1.004 1.372 2.675) 3.169 7.144 ( 2.255 4.733 3.439) 6.270 7.281 ( 7.573 1.103 -6.398) 9.975 7.485 ( -6.186 5.760 2.792) 8.901 7.679 ( -1.957 3.535 -0.951) 4.151 7.848 ( 6.084 -4.811 -6.199) 9.929 7.973 ( -1.455 -2.165 -1.093) 2.829 8.239 ( -0.079 -3.573 -11.023) 11.588 8.473 ( -0.863 -7.994 -4.441) 9.186 8.662 ( 1.376 -3.711 -5.891) 7.097 9.144 ( 4.930 -8.010 8.449) 12.644 9.255 ( -5.046 -8.486 4.706) 10.937 10.508 ( 8.797 -2.880 3.950) 10.064 10.587 ( -10.788 -7.304 8.493) 15.552 11.253 ( 2.735 6.262 -6.111) 9.167 11.540 ( 2.845 -6.585 5.963) 9.329 11.622 ( -7.346 -7.865 -0.385) 10.770 11.806 ( 1.854 -7.560 3.083) 8.372 12.336 ( 0.889 7.664 -0.518) 7.733 13.442 ( -2.024 1.987 -2.727) 3.934 13.602 ( 3.793 7.954 -11.066) 14.146 13.669 ( -1.400 -12.767 -16.634) 21.015 14.015 ( -4.328 1.028 -1.573) 4.718 14.145 ( 10.177 5.757 -13.349) 17.745 14.663 ( 0.540 0.316 0.024) 0.626 14.822 ( 0.274 1.797 -1.107) 2.129 15.077 ( 1.134 1.094 9.191) 9.325 15.414 ( -1.987 3.402 13.598) 14.157 15.672 ( -1.885 -7.047 5.436) 9.097 15.776 ( -4.325 -7.004 19.802) 21.445 16.355 ( -5.262 3.876 -1.789) 6.776 16.549 ( 4.557 -3.487 1.142) 5.851 24.201 ( 0.450 -0.510 0.488) 0.837 24.260 ( -0.543 -1.308 -0.477) 1.495 24.350 ( 0.861 1.206 0.511) 1.568 24.411 ( -0.821 0.352 -0.615) 1.084 25.514 ( -0.292 2.125 1.594) 2.672 25.652 ( -1.059 -1.717 -0.295) 2.038 25.894 ( -0.722 -1.186 0.812) 1.608 25.966 ( 1.572 0.364 0.635) 1.734 26.435 ( -1.444 -3.126 6.489) 7.347 26.500 ( -0.003 -1.380 3.353) 3.626 27.289 ( -1.006 10.808 -9.299) 14.294 27.676 ( 9.701 13.278 -29.832) 34.064 28.278 ( 0.377 5.043 2.701) 5.733 28.527 ( -0.341 -2.509 -1.262) 2.829 29.045 ( -7.617 -11.253 27.199) 30.404 29.708 ( 0.233 -13.824 0.803) 13.849 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 19.259 0.000 -3.572) 19.587 1.213 ( 21.893 0.000 13.925) 25.946 1.256 ( -5.092 -0.000 -2.264) 5.573 1.435 ( 11.732 0.000 2.178) 11.932 2.000 ( 15.603 0.000 27.877) 31.946 2.277 ( 5.499 0.000 0.219) 5.504 2.338 ( -12.752 -0.000 4.128) 13.403 2.561 ( -8.704 -0.000 1.507) 8.833 2.863 ( -4.727 -0.000 -1.711) 5.027 2.871 ( -3.624 -0.000 -7.763) 8.567 3.103 ( -3.636 -0.000 -2.990) 4.707 3.396 ( -0.305 -0.000 0.045) 0.309 3.397 ( 7.750 0.000 11.214) 13.631 3.514 ( 0.779 0.000 -12.382) 12.407 3.687 ( -10.212 -0.000 4.215) 11.048 3.708 ( 2.602 0.000 5.010) 5.646 4.001 ( -1.834 -0.000 3.032) 3.544 4.068 ( 1.377 0.000 -4.145) 4.367 4.471 ( 8.628 0.000 3.291) 9.234 4.544 ( -6.920 -0.000 2.544) 7.372 4.596 ( -0.824 -0.000 -9.100) 9.137 4.972 ( -0.455 -0.000 -17.902) 17.908 5.140 ( -5.493 -0.000 6.503) 8.512 5.241 ( -7.534 -0.000 -5.115) 9.107 5.463 ( 3.470 0.000 8.447) 9.132 5.539 ( -6.683 -0.000 5.615) 8.729 5.610 ( 2.977 0.000 1.951) 3.560 5.761 ( 6.390 0.000 1.251) 6.512 6.119 ( 1.388 0.000 -2.762) 3.091 6.180 ( 7.410 0.000 1.976) 7.669 6.181 ( 10.662 0.000 -10.993) 15.315 6.355 ( 4.099 0.000 -3.992) 5.722 6.552 ( 4.983 0.000 -0.649) 5.025 6.624 ( 1.316 0.000 -1.333) 1.873 6.665 ( 2.470 0.000 3.673) 4.426 6.855 ( 5.132 0.000 3.610) 6.274 6.995 ( 11.491 0.000 -5.945) 12.938 7.062 ( -4.350 -0.000 0.892) 4.441 7.246 ( 4.317 0.000 6.915) 8.152 7.313 ( -7.764 -0.000 -2.704) 8.221 7.568 ( 3.091 0.000 -11.770) 12.169 7.866 ( -2.250 -0.000 -0.969) 2.450 8.093 ( 1.299 0.000 0.211) 1.316 8.132 ( -5.288 -0.000 -10.018) 11.328 8.531 ( -0.401 -0.000 2.979) 3.005 8.932 ( 5.383 0.000 -8.592) 10.139 9.001 ( -21.568 -0.000 11.376) 24.384 9.112 ( -11.558 -0.000 3.912) 12.202 10.312 ( -7.675 -0.000 7.173) 10.505 10.863 ( 1.473 0.000 7.967) 8.102 10.865 ( -5.871 -0.000 -9.351) 11.041 11.696 ( -4.417 -0.000 18.867) 19.377 11.840 ( -1.701 -0.000 7.241) 7.438 12.190 ( 14.082 0.000 -7.421) 15.917 12.422 ( 10.213 0.000 -14.120) 17.427 13.099 ( -0.645 -0.000 3.251) 3.314 13.712 ( -8.381 -0.000 -14.046) 16.356 13.729 ( 7.738 0.000 -6.265) 9.956 14.152 ( 10.553 0.000 0.814) 10.584 14.426 ( 5.810 0.000 -18.781) 19.659 14.694 ( 2.376 0.000 0.245) 2.389 14.962 ( 7.589 0.000 -5.763) 9.529 15.082 ( -4.205 -0.000 13.509) 14.149 15.285 ( -4.350 -0.000 6.742) 8.024 15.721 ( -2.124 -0.000 1.263) 2.471 15.828 ( -14.190 -0.000 25.263) 28.976 15.958 ( -8.909 -0.000 -0.363) 8.917 16.718 ( 5.029 0.000 -4.868) 6.999 24.208 ( -1.767 -0.000 -0.513) 1.840 24.247 ( -0.227 -0.000 1.230) 1.251 24.326 ( -1.199 -0.000 -0.965) 1.539 24.399 ( 1.115 0.000 0.447) 1.201 25.552 ( 4.591 0.000 3.954) 6.059 25.798 ( -3.896 -0.000 -0.197) 3.901 25.919 ( -0.075 -0.000 -2.596) 2.597 26.194 ( 8.184 0.000 -4.054) 9.133 26.530 ( -0.827 -0.000 3.160) 3.267 26.692 ( 2.224 0.000 0.748) 2.346 26.967 ( -0.081 -0.000 -4.939) 4.940 27.182 ( 6.593 0.000 -21.016) 22.026 28.238 ( 2.476 0.000 6.100) 6.583 28.668 ( 5.919 0.000 -3.258) 6.756 28.746 ( -25.088 -0.000 32.580) 41.120 29.668 ( -11.334 -0.000 1.754) 11.469 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.233 -2.220 -2.174) 3.116 1.222 ( 2.943 -3.520 -4.667) 6.544 1.434 ( 20.686 -2.441 7.402) 22.105 1.663 ( 14.191 -9.440 13.321) 21.632 2.090 ( -1.271 7.013 -0.956) 7.190 2.185 ( -13.750 -1.177 2.376) 14.003 2.452 ( -5.234 -4.476 -1.214) 6.993 2.599 ( 12.598 -11.482 14.240) 22.211 2.792 ( -6.531 -3.400 2.816) 7.883 2.878 ( -5.998 -3.278 -3.302) 7.591 3.114 ( 2.549 -2.428 -9.525) 10.155 3.347 ( -1.884 2.397 -5.551) 6.333 3.429 ( 5.040 2.829 12.439) 13.717 3.530 ( 3.064 0.582 -11.812) 12.216 3.577 ( -2.500 2.006 5.855) 6.675 3.878 ( -1.121 -9.023 6.352) 11.091 4.010 ( -2.144 -2.160 3.400) 4.563 4.116 ( 3.054 -4.924 -5.984) 8.329 4.423 ( -5.708 -0.391 3.541) 6.728 4.528 ( 1.920 0.383 -4.550) 4.953 4.682 ( 3.029 -4.480 0.727) 5.456 5.005 ( 1.028 -3.676 -11.197) 11.830 5.120 ( -6.961 -0.854 3.549) 7.860 5.158 ( -5.611 -1.232 -1.535) 5.946 5.449 ( -1.345 2.443 8.045) 8.515 5.494 ( -4.350 1.325 6.831) 8.206 5.675 ( 6.585 -0.199 0.485) 6.606 5.805 ( 4.653 -0.824 -1.311) 4.904 6.019 ( 1.928 8.866 -0.666) 9.098 6.194 ( 5.190 3.579 1.447) 6.468 6.304 ( 2.555 -1.567 1.937) 3.569 6.354 ( 6.946 1.167 -7.130) 10.022 6.486 ( 5.367 5.708 1.081) 7.909 6.614 ( 2.556 1.261 -4.877) 5.649 6.694 ( 1.392 0.346 5.343) 5.532 6.953 ( 3.448 -2.552 1.484) 4.539 7.060 ( -3.447 -3.708 1.162) 5.195 7.126 ( -0.509 -4.232 0.178) 4.266 7.290 ( -2.277 -4.366 -10.447) 11.549 7.348 ( 8.709 -2.805 5.679) 10.769 7.605 ( 0.953 -2.413 -10.581) 10.894 7.845 ( -1.365 1.518 -2.537) 3.257 7.941 ( -3.775 6.949 0.923) 7.962 8.172 ( -0.336 -1.937 -3.535) 4.045 8.598 ( 0.091 -5.594 1.709) 5.850 8.790 ( -15.399 2.687 0.587) 15.642 8.892 ( 1.685 6.126 -5.832) 8.624 9.087 ( -7.306 -3.583 1.462) 8.268 10.259 ( -6.979 0.503 6.635) 9.643 10.738 ( -5.136 4.966 -2.574) 7.593 10.909 ( 0.852 -1.114 2.897) 3.219 11.630 ( -1.207 5.242 14.196) 15.181 11.782 ( -2.285 4.151 7.854) 9.172 12.291 ( 10.252 6.489 -8.375) 14.743 12.500 ( 10.692 -5.274 -10.206) 15.694 13.156 ( -4.833 -6.595 -0.226) 8.179 13.501 ( -2.564 10.539 -8.768) 13.947 13.800 ( 4.779 -0.219 -8.582) 9.826 14.207 ( 11.277 3.905 -0.721) 11.955 14.476 ( 2.109 -2.862 -11.511) 12.047 14.746 ( 1.891 -2.762 -0.916) 3.470 14.970 ( 2.372 3.390 2.022) 4.605 15.063 ( -2.713 -0.605 2.130) 3.502 15.265 ( -4.558 -1.218 3.759) 6.032 15.678 ( -3.685 2.957 7.200) 8.612 15.728 ( -5.295 2.405 19.742) 20.581 15.933 ( -6.223 -4.180 0.812) 7.540 16.753 ( 3.492 0.075 -4.571) 5.753 24.186 ( -0.545 0.603 -0.064) 0.816 24.257 ( -1.623 -0.939 0.237) 1.890 24.317 ( 0.018 -0.138 -0.330) 0.358 24.401 ( 0.311 0.422 0.400) 0.660 25.605 ( 4.661 -0.404 3.838) 6.051 25.733 ( -2.157 2.929 -0.130) 3.640 25.883 ( -0.566 2.194 -1.069) 2.505 26.246 ( 5.974 0.215 -0.263) 5.984 26.485 ( -1.044 2.375 5.492) 6.074 26.681 ( 2.904 13.735 -3.109) 14.379 26.923 ( -1.351 -12.845 -6.924) 14.655 27.442 ( 0.616 -15.180 -18.358) 23.829 28.297 ( 2.424 -2.621 7.195) 8.032 28.605 ( -13.146 -0.933 21.709) 25.396 28.707 ( 5.355 1.560 -1.572) 5.795 29.520 ( -11.915 4.790 0.896) 12.873 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -2.802 -1.153 0.749) 3.121 1.331 ( 1.200 -4.193 -0.906) 4.454 1.644 ( 14.280 -0.797 0.228) 14.304 1.900 ( -0.886 2.892 1.591) 3.418 2.058 ( 8.248 -7.054 11.273) 15.649 2.136 ( -7.263 -10.501 3.459) 13.228 2.453 ( -7.545 -4.228 5.505) 10.252 2.673 ( -11.422 -3.156 3.176) 12.268 2.797 ( -11.368 2.634 -1.987) 11.837 3.013 ( 7.894 -0.695 -6.361) 10.162 3.247 ( 3.420 -1.804 -2.582) 4.650 3.294 ( 1.703 2.167 -5.379) 6.044 3.434 ( 6.317 1.548 7.327) 9.798 3.535 ( 1.800 -1.343 -11.039) 11.265 3.626 ( 5.562 -8.102 7.822) 12.560 3.898 ( -3.775 2.475 2.057) 4.961 4.160 ( 0.578 -11.935 5.924) 13.337 4.291 ( 7.038 -9.092 -7.276) 13.607 4.496 ( 3.944 -5.041 5.163) 8.223 4.519 ( -4.729 -3.538 -2.527) 6.424 4.779 ( -1.136 -2.375 0.160) 2.637 5.020 ( -3.010 -2.610 0.293) 3.994 5.103 ( -3.736 -2.517 -0.255) 4.512 5.209 ( -2.979 -4.905 2.323) 6.191 5.381 ( -6.096 1.563 2.352) 6.718 5.437 ( 0.184 3.657 7.515) 8.359 5.687 ( 7.230 5.007 0.675) 8.821 5.826 ( 3.265 6.066 -2.182) 7.227 5.951 ( -0.019 -4.939 -2.496) 5.534 6.120 ( 3.269 6.914 3.977) 8.620 6.258 ( -1.652 3.132 -0.650) 3.600 6.386 ( -0.247 1.346 2.160) 2.557 6.526 ( 7.224 -3.264 3.571) 8.694 6.649 ( 7.219 -0.504 -7.611) 10.502 6.673 ( -5.090 0.412 2.242) 5.577 6.959 ( 1.989 2.611 -0.149) 3.285 7.136 ( -2.363 -5.863 3.922) 7.439 7.229 ( -3.013 -6.708 -0.767) 7.394 7.338 ( 2.339 -1.256 -10.651) 10.977 7.460 ( 2.462 -2.633 5.234) 6.355 7.626 ( 0.173 0.903 -6.723) 6.786 7.734 ( 2.120 4.419 0.426) 4.920 7.889 ( -0.611 -0.256 -0.007) 0.663 8.164 ( -3.264 1.354 -1.038) 3.683 8.595 ( -10.100 1.897 -2.701) 10.626 8.706 ( 6.454 3.546 -8.832) 11.499 8.815 ( 1.326 0.120 -4.066) 4.278 9.072 ( -5.075 0.069 1.389) 5.262 10.189 ( -3.904 1.858 5.698) 7.153 10.608 ( -6.911 2.129 0.277) 7.237 10.935 ( 0.678 -0.712 3.163) 3.312 11.541 ( 1.327 5.083 9.103) 10.510 11.674 ( -3.774 5.231 9.360) 11.367 12.148 ( 7.032 12.300 -9.282) 16.938 12.713 ( 9.627 -5.639 -6.775) 13.052 13.157 ( -8.841 1.349 -11.837) 14.836 13.373 ( 1.986 -0.802 1.669) 2.715 13.824 ( 3.508 -0.016 -8.656) 9.339 14.211 ( 11.584 5.523 -2.566) 13.087 14.512 ( -1.446 -0.840 -5.586) 5.830 14.769 ( -3.485 0.914 -0.592) 3.651 14.923 ( -1.506 0.743 5.958) 6.190 15.075 ( 4.118 -0.011 -6.016) 7.290 15.260 ( -4.201 -2.106 -0.247) 4.706 15.598 ( -2.385 3.130 14.319) 14.850 15.684 ( -2.735 1.530 14.960) 15.285 16.003 ( -3.187 -6.872 1.579) 7.738 16.752 ( 2.064 2.210 -4.031) 5.039 24.180 ( 0.707 0.132 0.045) 0.720 24.247 ( -2.508 -0.234 -0.453) 2.559 24.334 ( 1.266 -0.787 0.233) 1.509 24.393 ( -0.683 0.193 0.349) 0.791 25.635 ( 2.231 1.416 1.025) 2.834 25.679 ( 0.334 1.516 1.377) 2.075 25.843 ( -0.654 1.106 0.492) 1.376 26.284 ( 5.439 2.496 2.028) 6.319 26.388 ( -1.778 8.026 1.914) 8.441 26.495 ( -1.272 2.541 3.551) 4.549 27.189 ( 0.848 -13.959 -10.483) 17.477 27.660 ( -1.445 -10.366 -16.120) 19.220 28.362 ( -1.086 -1.836 8.608) 8.868 28.638 ( -3.577 -7.750 12.262) 14.941 28.698 ( 6.028 4.227 -1.990) 7.627 29.304 ( -9.735 7.183 1.283) 12.166 ======================= Grid point 90 (40/114) ======================= q-point: ( 0.62 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -1.868 -0.183 3.880) 4.310 1.408 ( 0.856 -2.469 1.067) 2.823 1.729 ( 1.917 -2.091 -0.427) 2.869 1.856 ( 5.352 -0.276 -2.576) 5.946 2.163 ( -3.925 -2.037 7.560) 8.758 2.445 ( -7.257 -10.730 3.303) 13.368 2.488 ( 5.732 2.631 7.830) 10.054 2.587 ( -5.033 -3.393 1.985) 6.386 2.734 ( -11.954 -8.587 6.472) 16.078 3.014 ( 3.648 2.058 -7.041) 8.193 3.190 ( 1.090 4.530 -1.160) 4.801 3.244 ( 1.802 2.295 -5.378) 6.119 3.381 ( 6.528 9.152 -2.605) 11.540 3.664 ( -0.968 -8.815 -3.914) 9.694 3.736 ( -3.221 1.260 3.220) 4.725 3.834 ( 0.752 3.438 4.195) 5.476 4.355 ( 6.236 -1.338 -0.839) 6.433 4.447 ( 1.810 2.731 -1.497) 3.602 4.608 ( 7.655 -10.838 -4.479) 14.005 4.756 ( -0.347 -0.090 3.628) 3.646 4.816 ( -2.539 -22.294 2.706) 22.601 5.093 ( -5.415 -0.765 -0.112) 5.470 5.110 ( -2.798 -3.844 5.297) 7.118 5.253 ( -3.406 -2.746 4.862) 6.541 5.324 ( -2.091 -0.339 3.048) 3.712 5.362 ( 0.546 4.048 3.459) 5.352 5.594 ( -1.322 6.636 2.833) 7.336 5.747 ( 4.655 4.997 -4.084) 7.958 5.971 ( 2.373 4.986 1.702) 5.778 6.140 ( 0.453 -4.941 -3.662) 6.167 6.203 ( 0.681 0.244 -1.349) 1.531 6.339 ( -1.381 1.970 4.936) 5.491 6.557 ( -4.495 4.796 6.411) 9.182 6.649 ( 0.360 -0.758 -5.063) 5.132 6.756 ( 6.308 -5.093 -7.685) 11.171 6.929 ( 3.159 2.650 1.285) 4.319 7.210 ( -3.478 -3.755 5.874) 7.791 7.310 ( -4.219 -6.852 0.102) 8.048 7.355 ( 4.151 0.847 -7.968) 9.024 7.528 ( -3.026 -2.881 0.463) 4.204 7.583 ( 2.904 2.166 -0.134) 3.625 7.740 ( 5.338 0.944 -1.541) 5.636 7.892 ( -1.299 -1.302 -0.216) 1.852 8.054 ( -9.197 3.216 -0.848) 9.780 8.485 ( 3.103 6.704 -7.308) 10.391 8.646 ( 6.120 4.814 -6.956) 10.441 8.861 ( -0.337 -2.232 -2.054) 3.052 9.008 ( -3.056 1.063 0.096) 3.236 10.169 ( -0.428 -1.461 4.959) 5.187 10.553 ( -4.695 -1.487 2.026) 5.326 10.968 ( -0.824 -3.002 2.667) 4.099 11.495 ( 2.732 2.370 6.587) 7.515 11.545 ( -4.908 5.165 9.013) 11.489 11.962 ( 4.357 10.398 -8.949) 14.394 12.759 ( 2.360 6.032 -5.272) 8.351 13.126 ( 1.456 -5.506 -12.638) 13.862 13.449 ( -2.256 -4.857 1.258) 5.501 13.835 ( 2.126 0.725 -7.855) 8.170 14.189 ( 9.974 6.396 -2.763) 12.166 14.449 ( -6.383 2.657 -4.947) 8.502 14.701 ( -1.882 2.161 0.352) 2.887 14.934 ( 0.755 -1.139 3.985) 4.213 15.071 ( 0.410 2.509 -7.326) 7.754 15.303 ( -0.623 -5.004 -0.587) 5.076 15.557 ( -1.663 1.596 15.596) 15.765 15.657 ( -2.346 0.779 15.844) 16.036 16.134 ( -0.847 -8.002 1.096) 8.121 16.692 ( 0.867 4.630 -3.479) 5.856 24.191 ( 1.885 -0.068 -0.011) 1.886 24.228 ( -2.600 -0.187 -0.262) 2.620 24.361 ( 1.595 -0.443 0.093) 1.658 24.387 ( -1.308 -0.577 0.184) 1.442 25.615 ( 1.570 1.660 -0.025) 2.285 25.656 ( -1.052 1.304 0.740) 1.832 25.836 ( 0.252 -0.247 1.686) 1.723 26.153 ( 0.656 8.968 -1.382) 9.098 26.353 ( -0.340 -1.093 6.679) 6.777 26.474 ( -1.290 0.284 6.327) 6.463 27.415 ( 2.310 -8.959 -12.787) 15.783 27.788 ( -0.387 -5.991 -15.563) 16.681 28.387 ( -1.940 -1.658 6.287) 6.785 28.632 ( 2.769 5.870 -0.379) 6.501 28.840 ( 2.174 -10.752 6.048) 12.526 29.109 ( -6.125 5.311 4.351) 9.201 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.776 -1.095 3.536) 3.782 1.427 ( -1.070 0.656 0.772) 1.474 1.797 ( -4.285 -5.579 -0.900) 7.092 1.986 ( 5.993 -5.906 -3.023) 8.941 2.019 ( -1.293 12.363 5.753) 13.697 2.260 ( -0.685 14.296 12.475) 18.986 2.583 ( 0.205 -5.187 -2.348) 5.698 2.730 ( -4.542 -6.524 1.679) 8.125 2.874 ( -4.903 -9.753 2.848) 11.281 3.025 ( -0.223 -0.216 -0.605) 0.680 3.135 ( 3.817 3.129 -0.381) 4.950 3.248 ( 0.127 5.089 -2.656) 5.742 3.293 ( 6.577 -5.501 -5.544) 10.211 3.629 ( -5.659 3.817 2.435) 7.247 3.731 ( 3.953 7.529 5.577) 10.170 3.818 ( -3.455 -6.728 0.380) 7.573 4.302 ( 2.707 7.257 4.223) 8.822 4.476 ( 3.230 0.185 -6.856) 7.581 4.607 ( -2.676 8.852 -0.373) 9.255 4.809 ( 2.345 0.560 3.133) 3.953 4.988 ( -3.960 3.436 -1.212) 5.381 5.064 ( -0.873 1.084 3.745) 3.995 5.168 ( -0.450 -0.321 3.372) 3.417 5.308 ( -4.030 -2.107 4.978) 6.743 5.371 ( 0.948 -10.659 0.765) 10.728 5.456 ( -2.535 -11.069 0.756) 11.380 5.514 ( 0.978 -2.620 3.023) 4.118 5.658 ( 2.816 7.772 -3.733) 9.071 5.912 ( 2.632 2.947 1.517) 4.232 6.130 ( 0.756 2.258 -5.041) 5.575 6.256 ( 0.260 -0.502 -0.433) 0.712 6.322 ( -0.719 0.276 1.680) 1.848 6.419 ( -2.210 5.739 5.614) 8.327 6.621 ( -2.583 0.275 -7.524) 7.960 6.831 ( 3.465 1.912 -3.005) 4.970 6.928 ( 1.544 -0.593 3.047) 3.466 7.235 ( 1.213 3.366 2.298) 4.252 7.338 ( -0.010 4.154 3.895) 5.695 7.421 ( 1.327 -4.968 -2.354) 5.655 7.523 ( 2.453 3.437 -2.298) 4.807 7.628 ( -3.172 -11.852 -4.828) 13.185 7.735 ( -2.936 1.636 -4.494) 5.612 7.946 ( 6.447 1.899 -0.592) 6.747 7.956 ( -9.788 -7.203 0.084) 12.153 8.330 ( 2.908 10.263 -3.712) 11.294 8.621 ( 4.982 2.191 -6.890) 8.781 8.879 ( -3.087 -3.695 2.759) 5.549 9.059 ( 1.923 -5.124 -2.195) 5.897 10.238 ( -1.632 -5.526 5.033) 7.650 10.560 ( -0.034 0.023 3.987) 3.987 11.081 ( -0.225 -9.906 -1.464) 10.017 11.425 ( -3.920 3.826 6.200) 8.273 11.511 ( 2.102 -0.396 6.931) 7.253 11.805 ( 0.589 6.861 -7.093) 9.886 12.623 ( 1.610 7.567 -3.039) 8.311 13.271 ( 2.950 -7.632 -13.271) 15.590 13.494 ( -3.759 -2.210 -0.878) 4.448 13.804 ( 1.923 3.210 -6.643) 7.624 14.121 ( 1.825 5.709 -0.373) 6.005 14.343 ( 1.032 3.757 -9.706) 10.459 14.664 ( 0.412 1.033 0.256) 1.141 14.957 ( 2.872 3.405 -2.958) 5.347 15.017 ( -3.303 -2.104 1.874) 4.342 15.413 ( 0.121 -5.725 2.664) 6.316 15.528 ( -3.301 1.422 13.521) 13.991 15.659 ( -1.818 -0.732 16.364) 16.481 16.285 ( -0.086 -7.430 -0.193) 7.433 16.592 ( 0.578 5.497 -2.216) 5.955 24.204 ( -0.004 0.435 0.130) 0.454 24.219 ( 0.104 -0.844 -0.148) 0.863 24.372 ( 0.326 0.091 0.170) 0.379 24.396 ( -0.403 -0.927 -0.294) 1.053 25.598 ( 0.696 1.780 0.350) 1.943 25.622 ( -0.850 0.583 0.078) 1.033 25.852 ( 0.150 -0.812 1.485) 1.699 26.024 ( -0.260 4.145 -0.621) 4.199 26.376 ( -1.058 -0.796 8.058) 8.166 26.470 ( -0.977 -0.178 5.961) 6.043 27.516 ( 1.631 -0.902 -12.088) 12.230 27.854 ( 2.914 -2.174 -18.898) 19.245 28.416 ( -0.676 -1.981 2.800) 3.496 28.525 ( 0.810 6.399 0.461) 6.466 28.946 ( -2.588 2.373 8.886) 9.555 29.148 ( -0.005 -12.835 4.692) 13.666 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 2.220 -0.325 0.438) 2.286 1.372 ( -1.458 3.684 -0.575) 4.004 1.654 ( -8.242 12.903 4.657) 16.004 1.859 ( 2.662 13.863 8.207) 16.329 1.998 ( -0.521 1.725 4.655) 4.991 2.203 ( 6.058 -6.411 1.372) 8.927 2.651 ( 5.778 1.847 -4.597) 7.611 2.776 ( -0.833 -0.676 2.301) 2.539 2.886 ( -2.178 7.935 7.311) 11.007 2.993 ( -2.440 -2.760 -2.591) 4.504 3.161 ( 1.563 0.573 -3.578) 3.947 3.221 ( -2.494 -6.317 -2.433) 7.214 3.476 ( -0.128 -4.611 -1.860) 4.974 3.549 ( -3.318 0.015 7.954) 8.618 3.634 ( 5.840 5.499 -0.641) 8.047 3.885 ( -2.478 -2.208 1.211) 3.533 4.170 ( 4.082 9.127 3.913) 10.737 4.243 ( -1.455 16.799 9.811) 19.508 4.542 ( -2.690 -0.693 -2.415) 3.681 4.779 ( -0.892 2.171 -4.721) 5.272 4.874 ( -1.715 6.581 -2.328) 7.188 5.014 ( 6.321 4.132 4.082) 8.584 5.191 ( 0.827 -3.218 -1.490) 3.641 5.315 ( -3.421 -1.957 2.946) 4.921 5.448 ( -6.653 -2.584 2.530) 7.572 5.468 ( -3.245 7.461 -1.616) 8.296 5.615 ( 4.317 -3.184 -3.056) 6.174 5.735 ( 2.431 -8.178 0.983) 8.588 5.888 ( -0.728 2.011 -1.568) 2.652 6.099 ( 2.932 3.251 -3.797) 5.795 6.206 ( 0.684 2.790 -0.373) 2.897 6.296 ( 0.470 0.171 1.949) 2.012 6.363 ( 1.008 2.109 2.158) 3.182 6.576 ( -1.098 2.839 -4.990) 5.845 6.784 ( -1.033 2.645 0.467) 2.878 6.949 ( -1.553 0.226 0.717) 1.726 7.147 ( 2.909 5.697 3.869) 7.476 7.247 ( 1.730 4.707 6.979) 8.594 7.395 ( 3.398 4.542 -8.538) 10.251 7.544 ( -1.612 2.318 2.702) 3.908 7.656 ( -3.784 -1.430 0.387) 4.064 7.817 ( -2.751 -6.531 -6.551) 9.651 7.939 ( 3.909 3.931 -1.798) 5.828 8.103 ( -0.429 -11.523 -10.532) 15.617 8.263 ( -0.157 -5.256 0.673) 5.301 8.649 ( 5.695 -1.044 -6.448) 8.666 8.964 ( -4.291 -7.051 4.425) 9.365 9.166 ( 0.188 -4.563 0.520) 4.597 10.350 ( -6.730 -8.111 6.274) 12.266 10.562 ( 3.651 0.793 4.668) 5.979 11.286 ( -6.851 -5.413 -6.159) 10.685 11.381 ( 2.775 -5.510 2.512) 6.662 11.534 ( 2.617 0.459 6.699) 7.207 11.733 ( -0.455 -1.405 -0.695) 1.633 12.506 ( 4.612 7.190 -0.975) 8.598 13.407 ( -5.799 -7.479 -12.849) 15.958 13.478 ( 1.595 0.385 -4.592) 4.877 13.740 ( 3.611 4.813 -7.045) 9.265 14.014 ( -4.895 3.141 -1.400) 5.982 14.318 ( 12.165 3.324 -11.498) 17.065 14.667 ( 1.270 -0.342 0.706) 1.493 14.881 ( 1.190 3.985 -4.824) 6.369 15.068 ( -1.539 -2.881 7.475) 8.157 15.465 ( -3.276 2.598 14.275) 14.875 15.533 ( -2.387 -6.097 4.367) 7.870 15.691 ( -2.479 -2.235 15.967) 16.313 16.347 ( -5.425 0.536 -2.918) 6.184 16.550 ( 4.881 -0.815 0.789) 5.012 24.192 ( -1.400 -0.165 0.355) 1.453 24.245 ( 2.002 -0.661 -0.248) 2.123 24.367 ( -0.766 0.323 0.277) 0.876 24.405 ( -0.147 -0.162 -0.559) 0.600 25.558 ( -0.428 1.992 0.851) 2.208 25.626 ( 0.995 -0.518 -0.195) 1.139 25.869 ( -0.471 -0.944 0.888) 1.379 25.989 ( 1.788 0.228 0.494) 1.869 26.388 ( -1.922 -1.094 7.453) 7.775 26.480 ( -0.630 -0.855 4.970) 5.083 27.448 ( 0.242 6.855 -10.812) 12.805 27.859 ( 5.115 3.299 -23.474) 24.250 28.399 ( 1.265 5.835 0.961) 6.048 28.476 ( 0.352 -2.451 0.501) 2.527 28.901 ( -6.257 -0.734 17.579) 18.674 29.419 ( -2.287 -14.521 2.210) 14.865 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -3.941 -0.000 -1.461) 4.203 1.221 ( 6.413 0.000 -5.243) 8.284 1.621 ( 19.962 0.000 8.594) 21.733 1.699 ( 12.667 0.000 9.751) 15.986 2.118 ( -10.414 -0.000 0.665) 10.435 2.131 ( 0.978 0.000 -0.652) 1.176 2.335 ( -4.935 -0.000 -6.700) 8.322 2.574 ( 3.192 0.000 8.652) 9.222 2.614 ( -19.916 -0.000 1.073) 19.945 2.890 ( 15.754 0.000 6.674) 17.109 3.095 ( 0.806 0.000 -16.325) 16.345 3.363 ( -2.737 -0.000 -4.665) 5.409 3.425 ( -3.571 -0.000 -4.193) 5.508 3.558 ( -5.654 -0.000 5.131) 7.634 3.649 ( 12.988 0.000 0.270) 12.991 3.791 ( 4.662 0.000 8.773) 9.934 3.924 ( -10.637 -0.000 8.036) 13.331 4.106 ( 4.191 0.000 -5.625) 7.014 4.279 ( -14.202 -0.000 -1.869) 14.325 4.593 ( 3.661 0.000 2.752) 4.580 4.690 ( 5.787 0.000 -0.297) 5.795 4.946 ( 1.143 0.000 -9.983) 10.048 5.071 ( -4.153 -0.000 6.680) 7.866 5.118 ( -3.661 -0.000 -4.252) 5.611 5.436 ( -6.434 -0.000 8.735) 10.849 5.520 ( 0.185 0.000 8.675) 8.677 5.661 ( 1.788 0.000 1.927) 2.629 5.887 ( 6.666 0.000 0.681) 6.700 6.126 ( 0.111 0.000 -2.867) 2.869 6.291 ( 4.138 0.000 -1.120) 4.287 6.310 ( 6.344 0.000 1.997) 6.651 6.405 ( 3.942 0.000 -7.092) 8.114 6.618 ( 0.800 0.000 -4.721) 4.789 6.653 ( 3.736 0.000 3.528) 5.138 6.741 ( 4.596 0.000 4.963) 6.764 6.927 ( 1.461 0.000 2.812) 3.169 6.979 ( -4.619 -0.000 -0.245) 4.626 7.102 ( -2.429 -0.000 -2.195) 3.274 7.148 ( -2.780 -0.000 -8.431) 8.878 7.451 ( 15.464 0.000 4.061) 15.988 7.581 ( 2.247 0.000 -12.758) 12.954 7.838 ( -0.819 -0.000 -2.771) 2.890 8.017 ( -4.456 -0.000 -7.379) 8.620 8.128 ( 2.071 0.000 5.449) 5.830 8.536 ( -0.734 -0.000 4.494) 4.553 8.653 ( -17.911 -0.000 5.771) 18.818 8.901 ( -10.996 -0.000 -2.118) 11.199 9.036 ( 5.098 0.000 -6.808) 8.506 10.212 ( -5.685 -0.000 5.126) 7.655 10.764 ( -2.622 -0.000 -9.693) 10.041 10.912 ( 1.519 0.000 9.639) 9.758 11.684 ( -2.235 -0.000 16.561) 16.711 11.823 ( -2.359 -0.000 7.391) 7.759 12.429 ( 14.922 0.000 -8.634) 17.240 12.532 ( 6.357 0.000 -14.548) 15.876 13.031 ( -7.984 -0.000 -0.637) 8.009 13.590 ( -1.685 -0.000 -6.893) 7.096 13.840 ( 6.818 0.000 -6.201) 9.217 14.349 ( 11.514 0.000 -0.749) 11.539 14.434 ( -0.089 -0.000 -10.207) 10.207 14.730 ( 1.292 0.000 1.161) 1.737 14.975 ( -11.115 -0.000 9.062) 14.341 15.064 ( 5.814 0.000 -6.542) 8.752 15.215 ( -4.612 -0.000 0.616) 4.653 15.684 ( -3.436 -0.000 7.911) 8.625 15.743 ( -2.951 -0.000 18.023) 18.263 15.842 ( -4.317 -0.000 1.929) 4.729 16.774 ( 2.900 0.000 -5.685) 6.382 24.185 ( -0.701 -0.000 -0.240) 0.741 24.239 ( -0.925 -0.000 0.125) 0.934 24.312 ( -0.063 -0.000 0.275) 0.282 24.411 ( 0.267 0.000 0.120) 0.293 25.652 ( 4.998 0.000 4.878) 6.984 25.732 ( -3.471 -0.000 1.154) 3.658 25.907 ( -0.464 -0.000 -1.931) 1.986 26.296 ( 4.739 0.000 -1.563) 4.990 26.524 ( -0.910 -0.000 4.368) 4.462 26.719 ( 0.656 0.000 -0.699) 0.959 26.956 ( 0.385 0.000 -4.533) 4.549 27.190 ( 0.668 0.000 -19.762) 19.773 28.305 ( 2.589 0.000 9.782) 10.119 28.505 ( -11.428 -0.000 19.592) 22.681 28.781 ( 7.475 0.000 -2.994) 8.053 29.464 ( -11.405 -0.000 -0.101) 11.406 ======================= Grid point 97 (44/114) ======================= q-point: ( 0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -1.528 -1.252 -0.436) 2.023 1.277 ( 2.845 -1.997 -2.553) 4.313 1.789 ( 12.114 0.085 6.785) 13.885 1.850 ( -3.503 -8.595 6.209) 11.167 1.972 ( -0.547 3.049 -2.435) 3.940 2.110 ( 2.943 4.993 1.471) 5.979 2.350 ( -2.238 -2.621 5.077) 6.136 2.468 ( -16.720 -4.146 2.582) 17.419 2.683 ( -4.263 -6.937 -3.883) 9.021 3.051 ( 1.587 0.561 -13.724) 13.827 3.204 ( 18.538 -8.972 1.559) 20.654 3.298 ( -1.241 0.947 -8.267) 8.413 3.423 ( -3.462 -1.770 -4.520) 5.962 3.526 ( -0.838 -1.112 5.909) 6.070 3.721 ( 10.827 2.954 4.039) 11.928 3.863 ( -0.938 -1.439 5.704) 5.957 3.911 ( -13.980 -9.949 8.864) 19.313 4.181 ( 0.404 -3.599 -5.941) 6.958 4.211 ( -2.898 -5.794 -0.154) 6.481 4.673 ( 2.598 -3.823 2.318) 5.171 4.725 ( 6.486 1.229 -2.145) 6.941 4.981 ( -5.422 -3.292 1.109) 6.439 5.036 ( 1.787 2.460 -3.423) 4.578 5.097 ( -2.476 -3.076 2.731) 4.801 5.376 ( -4.579 2.029 7.282) 8.838 5.500 ( -1.289 2.236 8.725) 9.099 5.753 ( 1.759 -6.106 -0.176) 6.357 5.900 ( 5.741 2.898 -0.009) 6.431 6.016 ( -1.621 9.221 -0.629) 9.384 6.275 ( 4.299 4.476 0.137) 6.207 6.315 ( -0.218 2.887 2.413) 3.769 6.429 ( 0.616 2.463 0.631) 2.616 6.578 ( 2.893 2.892 -3.438) 5.344 6.652 ( 3.216 0.378 -1.351) 3.509 6.738 ( 3.175 3.894 2.687) 5.698 6.977 ( -4.939 -5.102 3.941) 8.121 6.987 ( -0.013 -2.926 1.629) 3.349 7.101 ( -2.251 -4.666 -5.970) 7.905 7.234 ( -1.585 -6.304 -8.386) 10.611 7.517 ( 7.522 3.250 -3.064) 8.748 7.640 ( 6.595 -1.187 -2.385) 7.113 7.828 ( 1.231 1.443 -3.739) 4.193 7.902 ( -1.150 4.220 0.058) 4.374 8.167 ( -0.555 0.247 1.226) 1.369 8.491 ( -11.307 -1.035 3.055) 11.758 8.657 ( -0.708 -7.453 -1.403) 7.617 8.833 ( -3.863 -0.792 -4.354) 5.874 9.051 ( 1.626 1.191 -4.290) 4.740 10.169 ( -4.875 0.325 4.089) 6.371 10.665 ( -1.292 6.238 -4.964) 8.076 10.946 ( 1.137 -0.448 7.392) 7.492 11.648 ( -0.757 3.866 14.168) 14.706 11.760 ( -2.292 4.626 7.225) 8.879 12.409 ( 5.344 10.113 -11.421) 16.164 12.660 ( 10.616 -6.997 -9.051) 15.607 13.005 ( -10.576 -4.707 -6.026) 13.050 13.496 ( 3.008 7.566 -2.331) 8.469 13.867 ( 4.681 1.671 -7.209) 8.757 14.396 ( 9.074 3.208 -3.242) 10.156 14.458 ( -0.274 -2.001 -5.542) 5.899 14.746 ( -3.526 -0.471 2.385) 4.283 14.883 ( -8.006 -0.421 6.093) 10.070 15.110 ( 5.053 -0.450 -5.791) 7.699 15.186 ( -4.607 -1.239 -2.634) 5.449 15.647 ( -2.261 2.171 12.454) 12.842 15.720 ( -1.118 2.101 13.493) 13.701 15.873 ( -1.307 -4.729 4.060) 6.369 16.785 ( 1.528 0.441 -5.561) 5.783 24.183 ( 0.112 -0.161 -0.016) 0.197 24.229 ( -1.304 0.051 -0.556) 1.418 24.324 ( 0.648 -0.864 0.817) 1.354 24.402 ( -0.195 0.850 0.082) 0.876 25.671 ( -0.708 0.969 0.733) 1.407 25.714 ( 1.980 1.037 4.745) 5.245 25.877 ( 0.251 2.055 -0.573) 2.148 26.324 ( 3.069 0.255 1.240) 3.320 26.482 ( -1.033 2.116 6.230) 6.660 26.698 ( 0.098 16.542 -6.691) 17.844 26.897 ( 0.351 -14.442 -5.645) 15.510 27.389 ( -1.434 -13.942 -15.937) 21.223 28.340 ( -1.630 -0.749 12.131) 12.263 28.501 ( -2.447 -4.746 12.899) 13.960 28.815 ( 5.952 2.426 -2.352) 6.844 29.334 ( -8.086 4.052 -0.809) 9.080 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.366 -0.807 2.646) 2.791 1.346 ( 0.549 -3.494 -0.533) 3.577 1.735 ( -4.782 1.859 0.346) 5.142 1.956 ( 4.438 1.970 -2.533) 5.476 2.048 ( 2.659 -6.033 4.865) 8.194 2.165 ( -2.386 -10.350 3.816) 11.286 2.396 ( -9.761 -7.559 10.263) 16.054 2.488 ( -0.973 -4.369 7.215) 8.491 2.700 ( 2.650 3.453 -1.270) 4.534 3.011 ( -3.022 -0.044 -13.480) 13.815 3.247 ( -1.404 0.927 -5.251) 5.514 3.313 ( -0.267 3.802 -3.579) 5.228 3.494 ( -0.143 -6.286 -7.094) 9.480 3.577 ( 1.976 2.941 5.152) 6.253 3.771 ( 5.294 3.120 3.030) 6.851 3.856 ( -1.162 -0.321 4.451) 4.611 4.195 ( 0.290 -26.915 2.827) 27.065 4.263 ( -5.358 -8.873 0.153) 10.366 4.435 ( 3.637 -13.162 -5.428) 14.694 4.664 ( 4.034 8.326 3.141) 9.770 4.745 ( 1.100 0.127 -2.625) 2.849 4.992 ( -2.265 -4.126 9.711) 10.791 5.072 ( 0.296 -1.933 -1.490) 2.458 5.171 ( -1.599 -4.942 2.428) 5.734 5.312 ( -1.613 1.792 2.584) 3.534 5.448 ( -1.583 2.896 7.486) 8.182 5.775 ( 0.501 11.206 1.465) 11.313 5.845 ( -0.195 1.266 -0.993) 1.620 5.959 ( 2.902 -5.468 -2.868) 6.822 6.184 ( 2.590 7.118 4.442) 8.781 6.256 ( 1.447 3.309 -0.249) 3.620 6.364 ( -2.868 1.840 4.844) 5.922 6.535 ( -7.488 0.550 -1.096) 7.588 6.680 ( 6.351 -2.295 1.367) 6.890 6.731 ( 4.216 2.698 -6.555) 8.247 7.003 ( 2.666 0.809 2.268) 3.592 7.100 ( -2.225 -7.147 3.908) 8.444 7.143 ( -6.222 -2.923 -3.389) 7.665 7.311 ( -3.587 -6.462 -8.678) 11.399 7.515 ( 4.766 2.230 -5.381) 7.526 7.658 ( 3.183 2.000 3.127) 4.890 7.815 ( 4.541 2.688 0.620) 5.313 7.856 ( -2.839 0.640 0.926) 3.054 8.089 ( -3.371 4.340 -2.907) 6.217 8.490 ( -1.031 -3.578 -2.650) 4.570 8.764 ( 2.355 -1.732 -7.318) 7.880 8.836 ( 2.979 0.544 -3.593) 4.699 9.015 ( -1.474 1.899 -1.338) 2.752 10.134 ( -3.985 -0.454 3.548) 5.355 10.548 ( 1.043 3.710 -0.142) 3.856 10.958 ( -0.068 0.479 5.892) 5.912 11.579 ( -0.229 4.129 10.603) 11.381 11.642 ( -1.992 6.257 7.623) 10.061 12.199 ( 1.575 12.188 -10.144) 15.935 12.842 ( 4.110 -1.256 -5.127) 6.689 12.997 ( -3.037 -5.695 -13.174) 14.670 13.409 ( 1.561 2.829 1.241) 3.461 13.862 ( 3.187 1.027 -7.753) 8.445 14.369 ( -0.472 4.874 -2.463) 5.481 14.447 ( 2.488 2.292 -5.236) 6.234 14.710 ( -2.945 -0.400 5.161) 5.956 14.880 ( -3.132 -2.237 0.707) 3.913 15.110 ( -1.795 1.492 -6.984) 7.364 15.216 ( 1.991 -3.696 -2.581) 4.928 15.603 ( -1.411 2.547 15.050) 15.329 15.688 ( -0.931 1.981 14.551) 14.714 15.991 ( 0.984 -6.857 3.305) 7.675 16.759 ( 0.066 2.382 -4.950) 5.493 24.191 ( -0.382 -0.503 0.025) 0.632 24.219 ( 0.264 0.149 -0.544) 0.623 24.352 ( 0.416 -1.187 0.632) 1.407 24.383 ( -0.249 0.730 0.143) 0.784 25.643 ( -0.940 0.731 0.320) 1.233 25.694 ( 0.431 2.740 1.662) 3.234 25.854 ( 1.430 1.127 2.395) 3.008 26.337 ( -2.684 3.188 2.660) 4.944 26.374 ( 2.408 9.230 -0.505) 9.552 26.480 ( -1.538 1.350 4.459) 4.906 27.191 ( 2.643 -14.507 -10.661) 18.196 27.594 ( -1.513 -10.744 -14.856) 18.397 28.349 ( -2.848 -1.377 9.471) 9.985 28.647 ( 1.185 -7.189 9.006) 11.585 28.786 ( 3.058 3.165 -0.417) 4.421 29.186 ( -2.407 6.110 0.079) 6.567 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 1.829 -0.462 4.783) 5.142 1.390 ( -3.054 -1.949 -0.229) 3.630 1.719 ( 0.135 -1.397 -0.487) 1.485 1.963 ( 1.832 0.621 1.403) 2.389 2.145 ( 0.863 -2.145 5.474) 5.942 2.344 ( -3.827 -9.393 0.843) 10.178 2.483 ( -6.878 -6.025 4.072) 10.009 2.593 ( 2.152 -3.707 2.475) 4.950 2.670 ( 5.257 0.404 7.662) 9.301 2.988 ( -2.892 -1.497 -7.474) 8.152 3.209 ( -1.501 1.208 -6.410) 6.693 3.247 ( 1.069 2.314 2.182) 3.355 3.445 ( -0.154 6.420 -4.095) 7.616 3.628 ( -0.380 -2.990 -1.208) 3.247 3.709 ( -0.122 1.830 -0.558) 1.918 3.858 ( 0.418 1.369 5.845) 6.018 4.363 ( -5.945 -6.335 -0.383) 8.697 4.493 ( 1.457 7.211 4.389) 8.567 4.692 ( 7.066 -5.601 -10.041) 13.495 4.726 ( -7.696 -13.061 2.569) 15.376 4.781 ( 0.934 -12.533 -1.204) 12.625 5.036 ( -2.449 0.306 10.869) 11.145 5.141 ( 5.398 -5.441 -1.347) 7.782 5.211 ( -2.220 -0.385 6.634) 7.006 5.312 ( 0.172 -2.084 0.045) 2.091 5.379 ( -0.506 3.724 5.109) 6.342 5.569 ( -0.740 7.081 1.521) 7.280 5.808 ( 1.657 4.477 -0.931) 4.863 6.006 ( 1.403 3.942 -0.764) 4.253 6.157 ( 2.433 -1.792 -0.955) 3.169 6.237 ( 2.371 -0.034 0.303) 2.390 6.334 ( -0.598 0.583 5.546) 5.609 6.459 ( -5.640 0.703 2.475) 6.199 6.653 ( 0.706 5.479 -7.552) 9.357 6.823 ( 2.827 -5.319 -3.728) 7.084 6.968 ( -1.210 4.126 0.751) 4.365 7.162 ( -1.834 -7.371 5.446) 9.347 7.249 ( -2.451 -8.269 -0.180) 8.626 7.397 ( -1.545 -5.843 -9.952) 11.643 7.481 ( 3.934 4.612 -0.890) 6.127 7.639 ( -1.008 2.199 2.398) 3.406 7.763 ( -1.228 4.132 -1.127) 4.456 7.813 ( -4.820 0.034 1.530) 5.057 8.032 ( 6.459 1.119 -3.327) 7.351 8.514 ( 2.309 4.379 -6.546) 8.207 8.742 ( 5.123 5.173 -6.268) 9.607 8.814 ( -4.250 0.799 -0.932) 4.424 8.996 ( 1.906 -1.837 -0.597) 2.713 10.133 ( -4.234 -2.809 3.729) 6.303 10.568 ( 5.367 -1.430 2.422) 6.060 10.963 ( -0.849 -2.050 3.071) 3.789 11.488 ( -3.401 5.110 6.152) 8.691 11.558 ( 1.790 2.460 9.380) 9.861 11.965 ( -1.354 10.604 -9.134) 14.061 12.763 ( -0.860 5.447 -4.871) 7.358 13.150 ( 5.155 -6.292 -12.851) 15.209 13.408 ( -2.219 -2.709 0.601) 3.553 13.858 ( 2.468 1.282 -7.431) 7.934 14.209 ( -8.239 5.622 -1.659) 10.112 14.437 ( 8.010 3.015 -6.366) 10.667 14.706 ( 1.707 1.661 3.767) 4.457 14.905 ( -4.633 -4.015 0.018) 6.131 15.040 ( -1.336 2.623 -6.954) 7.552 15.316 ( 2.072 -4.465 0.111) 4.924 15.558 ( -2.379 2.474 14.222) 14.630 15.668 ( -1.413 1.013 17.377) 17.463 16.151 ( 2.411 -7.435 1.358) 7.933 16.682 ( -1.023 4.347 -3.892) 5.924 24.186 ( -1.885 -0.236 -0.183) 1.909 24.234 ( 2.729 -0.136 -0.075) 2.733 24.362 ( -1.640 -0.375 0.106) 1.686 24.387 ( 1.362 -0.485 0.198) 1.459 25.620 ( -1.761 1.348 0.241) 2.231 25.650 ( 1.087 1.457 0.409) 1.863 25.854 ( 0.863 0.473 2.556) 2.739 26.127 ( -2.750 7.905 -2.414) 8.711 26.372 ( 0.213 -0.058 7.272) 7.275 26.468 ( -1.101 0.078 6.254) 6.350 27.432 ( 3.401 -8.360 -12.700) 15.580 27.746 ( 0.345 -7.737 -15.957) 17.737 28.375 ( -1.224 -2.162 5.835) 6.342 28.639 ( -1.918 5.155 0.289) 5.508 28.911 ( 2.932 -9.771 6.796) 12.258 29.062 ( 0.571 6.288 3.356) 7.150 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 3.127 -1.101 4.045) 5.230 1.377 ( -4.583 -0.426 0.141) 4.605 1.705 ( -3.362 3.112 -1.826) 4.931 1.961 ( -1.367 -1.009 2.119) 2.717 2.175 ( 5.379 5.097 8.526) 11.296 2.330 ( 5.832 8.687 6.697) 12.422 2.611 ( 3.741 -8.188 -2.969) 9.479 2.676 ( -1.415 -5.202 -2.319) 5.869 2.809 ( -2.237 -9.777 2.579) 10.356 2.983 ( -2.317 -0.288 0.300) 2.354 3.144 ( -7.086 4.182 3.397) 8.901 3.166 ( -2.870 0.161 -6.835) 7.415 3.422 ( 6.117 2.542 -1.021) 6.703 3.578 ( -1.050 -0.663 0.836) 1.497 3.762 ( -1.897 -2.859 1.438) 3.720 3.826 ( 4.515 4.242 1.923) 6.486 4.366 ( 1.815 6.681 5.989) 9.154 4.425 ( -5.222 -4.570 -0.672) 6.972 4.605 ( 0.086 12.962 1.414) 13.039 4.807 ( -1.209 1.698 -5.052) 5.465 4.926 ( -1.303 -1.485 -1.147) 2.284 5.039 ( -3.072 -3.632 6.748) 8.256 5.189 ( 1.377 0.604 1.630) 2.217 5.306 ( -0.305 1.216 9.055) 9.142 5.338 ( -3.574 -1.675 1.234) 4.136 5.415 ( 1.329 -10.599 -1.343) 10.766 5.598 ( 5.949 -6.484 -0.121) 8.800 5.678 ( -0.467 8.225 -3.621) 8.999 5.928 ( -1.054 3.478 -1.549) 3.950 6.190 ( 5.928 1.237 -4.217) 7.379 6.266 ( 0.276 0.811 2.050) 2.222 6.307 ( -0.813 1.818 0.951) 2.206 6.424 ( 0.992 1.938 5.122) 5.565 6.576 ( 0.057 0.606 -5.577) 5.610 6.843 ( -0.797 3.590 -3.191) 4.869 6.908 ( -4.481 -1.701 2.351) 5.338 7.254 ( -0.429 0.091 5.192) 5.210 7.358 ( 1.120 0.785 0.803) 1.586 7.397 ( -2.478 0.043 -1.471) 2.882 7.567 ( 0.408 -8.308 -2.929) 8.819 7.606 ( 0.683 -0.304 -0.474) 0.886 7.657 ( -2.290 3.785 -2.283) 4.978 7.845 ( 1.378 -9.373 -5.337) 10.873 8.085 ( 7.021 2.829 -4.040) 8.580 8.324 ( -1.868 9.996 -2.825) 10.554 8.680 ( 1.669 1.088 -5.357) 5.716 8.838 ( -0.918 -3.560 0.354) 3.694 9.071 ( -0.456 -4.015 0.551) 4.078 10.178 ( -4.713 -5.000 4.696) 8.323 10.620 ( 3.579 1.198 5.096) 6.341 11.074 ( 0.180 -8.796 -2.478) 9.140 11.390 ( -1.447 2.864 4.135) 5.234 11.571 ( 2.041 -0.461 9.477) 9.705 11.761 ( -2.995 6.389 -7.370) 10.203 12.665 ( 3.169 5.024 -2.806) 6.569 13.238 ( -2.266 -3.686 -12.203) 12.947 13.469 ( 1.798 -2.928 -2.546) 4.276 13.835 ( 3.168 2.546 -7.454) 8.490 14.039 ( -6.675 4.504 -2.191) 8.345 14.451 ( 8.638 2.139 -7.439) 11.599 14.694 ( 3.265 1.522 2.515) 4.393 14.920 ( -6.080 -1.361 -4.527) 7.701 15.010 ( 2.050 -0.460 1.354) 2.499 15.414 ( -0.757 -4.541 1.460) 4.829 15.502 ( -2.896 2.438 14.065) 14.565 15.668 ( -2.306 -0.332 17.823) 17.975 16.289 ( 0.579 -3.789 -1.178) 4.010 16.592 ( 0.036 2.643 -1.760) 3.176 24.174 ( -1.496 -0.216 -0.051) 1.513 24.262 ( 2.864 -0.100 0.069) 2.866 24.352 ( -1.968 -0.276 -0.171) 1.995 24.405 ( 0.842 -0.221 0.003) 0.871 25.576 ( -1.507 1.137 0.109) 1.891 25.649 ( 2.002 0.728 0.295) 2.150 25.855 ( -0.267 -0.141 1.614) 1.642 26.013 ( -0.616 1.996 -0.760) 2.223 26.376 ( -1.285 0.159 8.130) 8.233 26.470 ( -0.781 -0.317 5.948) 6.008 27.516 ( 1.867 0.504 -12.125) 12.279 27.855 ( 2.610 -3.937 -18.774) 19.359 28.424 ( 0.731 -2.671 2.647) 3.831 28.519 ( -1.736 5.197 1.060) 5.580 28.947 ( 0.310 6.276 7.768) 9.991 29.143 ( -1.978 -12.052 5.308) 13.317 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -1.113 -0.000 -1.288) 1.702 1.288 ( 3.092 0.000 -1.700) 3.528 1.719 ( -12.883 -0.000 5.303) 13.932 1.760 ( -7.070 -0.000 1.215) 7.173 2.155 ( 8.466 0.000 1.252) 8.558 2.176 ( 1.714 0.000 -1.234) 2.112 2.300 ( -8.117 -0.000 3.325) 8.772 2.342 ( 10.743 0.000 0.597) 10.760 2.555 ( -0.716 -0.000 -2.540) 2.639 3.006 ( -5.179 -0.000 -20.947) 21.577 3.267 ( -3.289 -0.000 5.730) 6.607 3.306 ( 11.686 0.000 -7.845) 14.075 3.338 ( -4.046 -0.000 -7.634) 8.640 3.511 ( 2.231 0.000 4.776) 5.271 3.637 ( -19.352 -0.000 14.046) 23.912 3.799 ( 3.482 0.000 2.365) 4.209 3.942 ( 8.551 0.000 10.361) 13.434 4.161 ( 0.391 0.000 -1.085) 1.154 4.171 ( 4.180 0.000 -5.133) 6.619 4.592 ( -3.959 -0.000 1.252) 4.152 4.758 ( 1.727 0.000 0.436) 1.781 4.963 ( 3.027 0.000 -2.206) 3.746 5.034 ( -1.925 -0.000 5.875) 6.182 5.106 ( 2.444 0.000 -5.043) 5.604 5.386 ( -1.441 -0.000 10.006) 10.109 5.508 ( -3.958 -0.000 7.154) 8.176 5.672 ( -0.772 -0.000 1.264) 1.481 5.970 ( 1.748 0.000 1.761) 2.482 6.113 ( -0.131 -0.000 -2.993) 2.996 6.327 ( 0.026 0.000 3.659) 3.659 6.382 ( 0.448 0.000 1.088) 1.176 6.479 ( 6.111 0.000 -4.016) 7.312 6.576 ( -3.792 -0.000 -1.796) 4.195 6.732 ( 3.546 0.000 2.351) 4.255 6.832 ( 1.938 0.000 0.243) 1.953 6.866 ( -7.615 -0.000 0.177) 7.617 6.933 ( 0.131 0.000 -0.402) 0.423 6.972 ( -2.902 -0.000 -1.682) 3.354 7.178 ( 1.293 0.000 -9.591) 9.677 7.593 ( 3.104 0.000 -12.082) 12.474 7.749 ( 14.108 0.000 14.548) 20.265 7.811 ( -1.441 -0.000 -4.621) 4.840 7.961 ( 1.766 0.000 -14.723) 14.828 8.181 ( 1.133 0.000 8.403) 8.479 8.403 ( -11.338 -0.000 5.138) 12.448 8.504 ( -4.076 -0.000 3.930) 5.662 8.789 ( 0.400 0.000 -5.790) 5.804 9.085 ( 2.659 0.000 -6.173) 6.722 10.144 ( -3.031 -0.000 2.659) 4.032 10.731 ( 1.631 0.000 -9.162) 9.306 10.957 ( 0.230 0.000 11.468) 11.471 11.701 ( -0.490 -0.000 15.554) 15.561 11.798 ( -2.553 -0.000 7.245) 7.681 12.562 ( 1.391 0.000 -15.350) 15.412 12.646 ( 12.172 0.000 -8.875) 15.064 12.838 ( -12.459 -0.000 -3.864) 13.045 13.614 ( 4.966 0.000 -1.764) 5.270 13.923 ( 4.162 0.000 -6.963) 8.112 14.389 ( -2.275 -0.000 -6.140) 6.548 14.521 ( 7.571 0.000 -4.123) 8.621 14.684 ( -10.818 -0.000 4.812) 11.840 14.827 ( -2.722 -0.000 4.237) 5.036 15.121 ( -2.976 -0.000 -4.153) 5.109 15.141 ( 1.906 0.000 -3.691) 4.154 15.672 ( -0.543 -0.000 13.414) 13.425 15.767 ( 0.476 0.000 12.911) 12.919 15.819 ( 0.870 0.000 3.574) 3.678 16.790 ( 0.586 0.000 -6.234) 6.261 24.182 ( 0.372 0.000 0.093) 0.384 24.219 ( -1.065 -0.000 -0.898) 1.393 24.324 ( 1.029 0.000 1.390) 1.729 24.410 ( -0.372 -0.000 -0.256) 0.451 25.657 ( -3.459 -0.000 0.807) 3.552 25.770 ( 4.553 0.000 7.652) 8.904 25.898 ( 0.133 0.000 -1.844) 1.848 26.360 ( 3.026 0.000 -0.225) 3.034 26.523 ( -0.634 -0.000 5.609) 5.645 26.707 ( -1.483 -0.000 -2.508) 2.913 26.960 ( 1.208 0.000 -3.912) 4.094 27.113 ( -3.463 -0.000 -21.167) 21.449 28.321 ( -5.020 -0.000 12.768) 13.719 28.474 ( 3.538 0.000 13.737) 14.186 28.874 ( 1.999 0.000 -1.751) 2.657 29.325 ( -2.025 -0.000 -2.442) 3.172 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 1.150 -2.736 -0.030) 2.968 1.314 ( 1.659 -0.751 -1.170) 2.165 1.593 ( -17.640 -3.636 3.802) 18.408 1.818 ( -6.959 -10.629 1.309) 12.771 2.074 ( -4.281 2.560 1.512) 5.212 2.165 ( -2.756 2.151 3.124) 4.689 2.269 ( 10.551 4.477 -1.639) 11.578 2.489 ( 9.810 -1.880 8.932) 13.400 2.701 ( 7.816 -7.497 -5.598) 12.192 2.942 ( -5.798 -1.183 -17.582) 18.551 3.175 ( -15.731 -3.395 0.961) 16.122 3.317 ( -3.884 -0.959 -6.037) 7.242 3.386 ( -2.526 -4.286 -5.090) 7.118 3.526 ( -10.520 -0.090 12.057) 16.001 3.766 ( 12.904 -14.270 1.065) 19.268 3.828 ( 0.068 0.164 2.292) 2.299 3.974 ( 8.133 3.786 8.485) 12.348 4.174 ( 2.770 -1.391 0.299) 3.114 4.256 ( 2.360 -6.015 -4.482) 7.864 4.612 ( -5.666 -5.183 -0.826) 7.723 4.834 ( 0.095 -3.690 2.128) 4.261 4.964 ( 5.601 1.482 3.486) 6.762 5.066 ( 0.185 1.155 -0.758) 1.394 5.076 ( 1.000 -1.855 -1.302) 2.478 5.365 ( 1.313 2.846 6.358) 7.088 5.472 ( -4.025 0.807 8.185) 9.157 5.745 ( -2.011 -6.443 -0.945) 6.815 5.952 ( -1.421 1.826 2.095) 3.121 6.005 ( 2.076 9.498 -1.250) 9.802 6.314 ( -1.550 2.048 3.268) 4.157 6.323 ( -1.100 3.850 0.148) 4.007 6.394 ( -2.681 5.515 2.324) 6.557 6.540 ( -3.729 4.405 0.491) 5.792 6.709 ( 1.805 2.206 -2.542) 3.819 6.820 ( 5.181 -1.156 -3.433) 6.321 6.924 ( -2.389 -6.560 4.468) 8.289 6.980 ( -0.650 -3.129 1.432) 3.502 7.055 ( -1.138 -6.664 -4.163) 7.939 7.153 ( -5.218 -0.105 -8.217) 9.734 7.593 ( 4.905 1.435 -11.316) 12.417 7.731 ( -0.023 3.727 1.471) 4.007 7.866 ( -0.203 0.524 8.712) 8.730 7.942 ( 8.290 4.033 -5.378) 10.673 8.135 ( -2.043 4.208 0.050) 4.678 8.371 ( -2.114 -5.691 -0.560) 6.097 8.647 ( 0.123 -10.285 -0.219) 10.288 8.830 ( 4.603 -2.231 -3.305) 6.090 9.071 ( 2.090 2.696 -4.887) 5.960 10.118 ( -1.431 0.891 2.084) 2.681 10.675 ( 3.817 5.850 -4.595) 8.361 10.971 ( -1.021 0.103 9.339) 9.396 11.676 ( -0.263 4.115 13.830) 14.431 11.741 ( -1.973 4.217 7.255) 8.620 12.412 ( -1.333 10.559 -12.344) 16.299 12.767 ( -7.489 -4.100 -2.466) 8.887 12.841 ( 5.477 -7.986 -12.760) 16.019 13.568 ( 5.229 8.327 -0.854) 9.869 13.914 ( 2.754 2.230 -7.679) 8.457 14.353 ( -7.269 1.322 -4.890) 8.859 14.546 ( 2.890 0.001 -5.985) 6.646 14.624 ( -5.864 -2.159 5.150) 8.098 14.840 ( 0.304 -0.929 2.655) 2.829 15.072 ( -5.685 0.025 -6.249) 8.448 15.191 ( 3.856 -2.236 -1.085) 4.588 15.667 ( 0.446 2.566 15.629) 15.845 15.753 ( 1.276 2.576 11.537) 11.890 15.901 ( 3.016 -4.758 4.506) 7.214 16.777 ( -0.790 0.645 -6.045) 6.130 24.184 ( -0.171 0.224 0.029) 0.283 24.218 ( 0.475 -0.654 -0.777) 1.121 24.341 ( 0.836 -0.486 1.326) 1.641 24.396 ( -0.442 0.745 -0.241) 0.899 25.630 ( -3.037 -0.187 1.244) 3.287 25.772 ( 2.111 3.764 3.818) 5.762 25.894 ( 1.502 0.791 1.719) 2.416 26.362 ( 0.682 1.668 1.849) 2.581 26.479 ( -1.195 1.750 6.928) 7.244 26.649 ( -3.097 15.275 -8.892) 17.944 26.908 ( 2.628 -14.289 -6.425) 15.885 27.317 ( -2.058 -14.422 -16.087) 21.703 28.302 ( -4.545 -1.279 9.828) 10.903 28.578 ( 5.749 -3.892 15.408) 16.899 28.843 ( -3.053 2.157 -0.902) 3.845 29.298 ( 5.305 4.006 -2.618) 7.145 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 2.561 -1.438 3.620) 4.662 1.334 ( -1.968 -1.135 -2.218) 3.175 1.619 ( -7.134 -9.029 4.551) 12.374 1.993 ( 1.660 -1.938 -0.501) 2.601 2.042 ( -12.236 -11.840 5.679) 17.949 2.101 ( -1.365 0.890 5.066) 5.321 2.319 ( 5.748 -2.466 -1.526) 6.438 2.609 ( 7.901 -1.161 5.223) 9.542 2.835 ( 9.278 0.920 -1.617) 9.463 2.915 ( -2.359 -1.137 -8.660) 9.047 3.161 ( -8.756 -5.058 -3.019) 10.553 3.272 ( -2.383 0.277 -7.336) 7.718 3.420 ( -8.470 2.686 5.331) 10.362 3.512 ( -5.636 -11.895 1.321) 13.229 3.802 ( 0.305 2.572 -2.170) 3.379 3.893 ( 3.033 6.397 6.431) 9.565 4.157 ( -1.589 -10.906 5.250) 12.208 4.313 ( 2.634 -11.969 -2.655) 12.540 4.433 ( -3.126 -11.880 -1.923) 12.434 4.647 ( -0.555 -1.883 0.498) 2.025 4.829 ( 3.347 3.878 -2.044) 5.515 5.010 ( 2.085 -1.853 8.487) 8.934 5.095 ( 2.305 -3.005 -0.007) 3.787 5.182 ( 3.745 -5.079 -1.911) 6.593 5.334 ( 2.942 2.935 2.565) 4.883 5.424 ( -2.720 1.621 6.446) 7.182 5.709 ( -5.233 7.016 0.150) 8.754 5.866 ( 1.447 2.914 -1.562) 3.609 6.002 ( 1.543 -4.170 -0.179) 4.450 6.202 ( -3.123 5.131 3.982) 7.206 6.255 ( -3.053 0.413 0.962) 3.227 6.347 ( 0.022 0.589 4.189) 4.230 6.431 ( -2.729 2.714 3.189) 4.999 6.689 ( -2.533 -0.155 -7.742) 8.148 6.842 ( 7.410 3.540 1.657) 8.377 7.012 ( -7.211 0.783 -3.129) 7.900 7.045 ( 0.671 -4.259 2.813) 5.147 7.092 ( 0.612 -5.312 0.474) 5.368 7.191 ( -6.882 -9.068 -7.674) 13.728 7.598 ( 6.208 2.114 -7.951) 10.307 7.656 ( -3.608 2.546 1.351) 4.618 7.816 ( -2.919 2.835 1.237) 4.253 7.894 ( 4.309 6.602 7.579) 10.935 8.091 ( 4.720 0.669 -6.095) 7.738 8.502 ( 2.468 -5.696 -6.933) 9.307 8.773 ( 1.410 -2.498 -5.661) 6.346 8.869 ( 0.083 3.358 -2.877) 4.423 9.036 ( 4.986 2.560 0.361) 5.616 10.095 ( -0.151 0.806 2.399) 2.536 10.632 ( 7.528 2.176 0.607) 7.860 10.954 ( -2.005 0.838 6.102) 6.478 11.581 ( -1.682 6.063 7.865) 10.072 11.651 ( -0.080 4.450 9.951) 10.901 12.152 ( -3.982 11.983 -9.591) 15.857 12.738 ( -9.494 -2.220 -5.976) 11.436 13.076 ( 10.379 -8.716 -10.033) 16.863 13.435 ( 1.563 7.169 -0.707) 7.371 13.888 ( 1.924 1.393 -8.767) 9.084 14.204 ( -11.149 3.619 -2.491) 11.983 14.550 ( 4.724 2.593 -7.053) 8.876 14.681 ( -3.198 -5.741 4.846) 8.166 14.846 ( 0.295 0.970 -1.432) 1.754 15.016 ( -4.921 -0.380 -5.316) 7.254 15.280 ( 3.972 -3.043 1.234) 5.154 15.622 ( -0.795 3.779 14.814) 15.309 15.724 ( 0.422 3.039 15.364) 15.667 16.050 ( 4.884 -6.417 2.814) 8.541 16.728 ( -2.223 2.429 -5.187) 6.144 24.173 ( -0.896 0.248 -0.192) 0.949 24.247 ( 2.377 -0.916 -0.421) 2.581 24.346 ( -1.044 0.161 0.595) 1.212 24.391 ( 0.835 -0.246 0.271) 0.912 25.614 ( -2.432 -0.223 0.939) 2.616 25.703 ( 0.401 3.718 1.072) 3.891 25.889 ( 1.262 1.478 3.359) 3.880 26.253 ( -6.379 8.488 -2.459) 10.899 26.415 ( 1.286 4.091 3.687) 5.656 26.470 ( -0.864 0.342 4.942) 5.029 27.230 ( 4.880 -14.462 -10.686) 18.632 27.537 ( -0.329 -11.725 -16.866) 20.544 28.320 ( -2.686 -2.647 6.972) 7.926 28.684 ( -1.307 1.272 4.901) 5.229 28.806 ( 0.932 -3.539 9.139) 9.844 29.247 ( 8.524 7.477 -1.176) 11.399 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 2.899 -0.246 3.791) 4.779 1.324 ( -2.722 -0.927 -0.711) 2.962 1.731 ( 0.160 -2.413 0.472) 2.464 1.955 ( -1.526 1.968 5.377) 5.926 2.118 ( -7.521 -8.518 9.202) 14.622 2.293 ( -1.803 -12.354 1.214) 12.544 2.470 ( 4.809 -8.728 -4.541) 10.951 2.664 ( 3.885 1.354 0.633) 4.162 2.834 ( 11.654 7.185 2.643) 13.944 2.921 ( -2.738 -2.885 -4.152) 5.750 3.113 ( -5.827 2.953 -2.275) 6.918 3.246 ( -3.290 5.637 4.141) 7.730 3.385 ( -2.609 -10.103 -4.853) 11.508 3.650 ( 0.268 9.448 -0.517) 9.466 3.708 ( 0.493 -4.716 -1.641) 5.018 3.870 ( -0.171 -2.414 3.701) 4.422 4.252 ( -5.850 -4.631 4.406) 8.664 4.463 ( -6.294 -2.969 3.934) 7.994 4.616 ( -4.412 -7.778 5.599) 10.550 4.737 ( -3.149 -8.731 -1.978) 9.490 4.811 ( 6.177 0.771 -7.991) 10.130 5.070 ( 3.257 -0.261 9.214) 9.776 5.126 ( -3.532 -0.074 1.634) 3.893 5.291 ( 1.885 0.356 1.598) 2.497 5.324 ( 2.368 -1.862 -3.189) 4.387 5.418 ( 7.106 0.072 3.232) 7.807 5.591 ( 2.255 1.572 0.970) 2.915 5.795 ( -2.181 5.021 -1.514) 5.680 5.992 ( -3.335 4.482 -1.985) 5.929 6.190 ( 0.764 -3.228 0.371) 3.337 6.254 ( -1.434 -1.778 1.746) 2.875 6.347 ( 0.269 0.904 4.522) 4.619 6.413 ( -0.429 -1.938 2.955) 3.560 6.631 ( -1.081 2.642 -6.806) 7.381 6.843 ( 0.838 0.632 1.578) 1.895 6.890 ( -5.773 3.689 -1.658) 7.049 7.162 ( -1.900 -6.332 2.483) 7.061 7.224 ( -0.266 -7.406 -0.767) 7.451 7.320 ( -2.526 -9.992 -4.400) 11.206 7.535 ( -0.561 4.434 -7.116) 8.403 7.651 ( 6.424 0.757 5.851) 8.723 7.739 ( -0.914 2.690 -5.115) 5.851 7.807 ( 2.110 4.506 5.255) 7.237 8.144 ( 5.555 -0.976 -5.487) 7.869 8.503 ( -1.871 7.838 -8.885) 11.995 8.713 ( -4.140 5.435 -2.911) 7.427 8.816 ( 3.488 -0.958 -3.306) 4.901 9.045 ( 2.694 0.903 2.534) 3.807 10.105 ( 1.173 -1.052 3.627) 3.954 10.683 ( 4.248 1.253 5.257) 6.873 10.968 ( 2.189 -3.525 -0.491) 4.178 11.461 ( -1.106 4.919 4.043) 6.462 11.605 ( 0.694 2.033 10.566) 10.782 11.877 ( -5.916 10.134 -7.450) 13.900 12.694 ( -5.419 -1.126 -5.108) 7.532 13.237 ( 7.646 2.540 -11.010) 13.643 13.397 ( 1.848 -5.034 -0.953) 5.447 13.871 ( 0.966 0.583 -9.290) 9.358 14.048 ( -8.189 3.251 -2.150) 9.069 14.528 ( 2.614 1.751 -6.377) 7.111 14.752 ( -3.453 -3.623 4.148) 6.500 14.811 ( 0.622 1.945 -4.254) 4.719 15.007 ( -0.941 -1.739 -1.912) 2.751 15.366 ( 2.958 -2.220 2.519) 4.475 15.555 ( -1.855 3.585 13.171) 13.776 15.688 ( -1.667 2.077 17.791) 17.990 16.220 ( 5.014 -5.598 0.820) 7.560 16.637 ( -3.049 3.474 -3.737) 5.944 24.162 ( -0.664 0.044 -0.187) 0.692 24.284 ( 2.863 -0.346 -0.137) 2.887 24.330 ( -1.960 -0.065 0.032) 1.962 24.407 ( 0.865 -0.352 0.310) 0.984 25.584 ( -2.046 1.085 0.117) 2.319 25.671 ( 0.801 0.504 1.004) 1.380 25.870 ( 0.217 1.385 2.260) 2.660 26.059 ( -3.907 4.915 -2.370) 6.711 26.390 ( -0.371 1.082 7.901) 7.983 26.468 ( -0.640 0.010 5.751) 5.787 27.464 ( 3.488 -6.745 -11.525) 13.801 27.725 ( 2.564 -8.958 -18.866) 21.041 28.372 ( -0.688 -3.435 4.516) 5.716 28.584 ( -3.937 4.295 0.763) 5.876 28.949 ( -0.537 -7.043 11.068) 13.130 29.153 ( 7.830 9.531 1.334) 12.407 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.148 0.000 -2.465) 2.469 1.301 ( -5.755 -0.000 -2.668) 6.344 1.438 ( -13.947 -0.000 6.689) 15.468 1.549 ( -15.531 -0.000 4.483) 16.165 2.049 ( -3.610 -0.000 -2.432) 4.353 2.186 ( 0.655 0.000 0.382) 0.759 2.568 ( 19.769 0.000 -1.228) 19.807 2.580 ( 9.450 0.000 10.544) 14.159 2.598 ( 7.984 0.000 -10.500) 13.190 2.841 ( -6.791 -0.000 -18.472) 19.681 2.872 ( -34.464 -0.000 17.691) 38.740 3.262 ( -2.082 -0.000 -6.523) 6.847 3.339 ( 0.337 0.000 -6.648) 6.657 3.501 ( -2.099 -0.000 5.676) 6.051 3.772 ( 14.233 0.000 -0.832) 14.257 3.832 ( -0.112 -0.000 5.059) 5.060 4.069 ( 3.578 0.000 4.490) 5.741 4.187 ( -3.277 -0.000 4.120) 5.265 4.250 ( 9.781 0.000 -2.148) 10.014 4.500 ( -5.956 -0.000 -1.759) 6.210 4.761 ( -0.771 -0.000 1.631) 1.804 5.018 ( -1.860 -0.000 1.928) 2.679 5.024 ( 4.078 0.000 -0.137) 4.081 5.161 ( 5.628 0.000 -7.453) 9.339 5.430 ( -6.249 -0.000 6.784) 9.224 5.439 ( 4.323 0.000 8.712) 9.725 5.658 ( -0.929 -0.000 2.207) 2.394 5.941 ( -5.093 -0.000 2.484) 5.667 6.122 ( 1.488 0.000 -3.262) 3.585 6.316 ( -7.425 -0.000 1.078) 7.503 6.324 ( -1.597 -0.000 5.326) 5.560 6.513 ( -2.499 -0.000 -1.991) 3.195 6.564 ( 1.683 0.000 1.304) 2.129 6.674 ( -5.642 -0.000 -8.405) 10.123 6.769 ( -0.627 -0.000 4.965) 5.004 6.878 ( -3.741 -0.000 -5.459) 6.618 6.954 ( 2.274 0.000 2.877) 3.667 6.975 ( 4.027 0.000 -0.672) 4.082 7.118 ( -4.772 -0.000 -7.358) 8.770 7.629 ( 4.003 0.000 -11.880) 12.536 7.768 ( -1.700 -0.000 -4.082) 4.422 7.867 ( -4.535 -0.000 10.788) 11.702 8.028 ( 6.505 0.000 -14.880) 16.240 8.186 ( -2.359 -0.000 4.627) 5.194 8.386 ( 10.040 0.000 9.289) 13.678 8.466 ( -0.198 -0.000 2.980) 2.987 8.859 ( 7.587 0.000 -4.016) 8.584 9.111 ( 2.622 0.000 -4.717) 5.397 10.132 ( 1.489 0.000 1.667) 2.235 10.773 ( 5.562 0.000 -7.834) 9.608 10.969 ( -2.402 -0.000 12.248) 12.481 11.742 ( 0.544 0.000 14.706) 14.716 11.774 ( -2.332 -0.000 8.285) 8.607 12.503 ( -3.507 -0.000 -16.227) 16.602 12.600 ( -13.381 -0.000 -2.174) 13.556 12.803 ( 8.127 0.000 -8.699) 11.905 13.732 ( 8.662 0.000 -1.926) 8.874 13.936 ( -0.846 -0.000 -7.013) 7.064 14.337 ( -1.446 -0.000 -9.076) 9.190 14.402 ( -14.936 -0.000 -0.883) 14.963 14.639 ( 2.439 0.000 -2.440) 3.450 14.845 ( 1.242 0.000 5.891) 6.021 15.012 ( -6.290 -0.000 -6.266) 8.878 15.194 ( 2.802 0.000 1.457) 3.159 15.740 ( 3.735 0.000 17.407) 17.803 15.814 ( 1.666 0.000 10.522) 10.653 15.888 ( 5.803 0.000 3.876) 6.978 16.762 ( -1.897 -0.000 -6.563) 6.832 24.198 ( 1.301 0.000 0.389) 1.358 24.203 ( -0.327 -0.000 -1.044) 1.094 24.349 ( 1.227 0.000 1.512) 1.947 24.397 ( -0.966 -0.000 -0.621) 1.148 25.598 ( -3.636 -0.000 2.268) 4.285 25.859 ( 3.290 0.000 7.631) 8.310 25.903 ( 0.953 0.000 -1.755) 1.997 26.403 ( 2.085 0.000 -0.155) 2.091 26.532 ( -0.021 -0.000 6.697) 6.698 26.662 ( -2.491 -0.000 -3.456) 4.260 26.958 ( -7.913 -0.000 -25.504) 26.703 26.974 ( 1.428 0.000 -3.765) 4.027 28.258 ( -4.492 -0.000 8.138) 9.296 28.636 ( 9.521 0.000 22.320) 24.266 28.818 ( -6.329 -0.000 -1.225) 6.446 29.406 ( 10.353 0.000 -3.070) 10.799 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -7.526 -5.993 3.827) 10.354 1.264 ( -7.035 -4.582 -2.312) 8.708 1.404 ( -1.678 -3.645 5.969) 7.192 1.607 ( -15.577 -14.666 8.473) 23.011 2.044 ( 3.703 -0.573 -5.701) 6.822 2.149 ( 0.869 4.088 1.219) 4.354 2.486 ( 11.331 9.045 -3.816) 14.992 2.668 ( -31.033 -10.954 12.856) 35.332 2.699 ( 8.527 -2.603 5.287) 10.365 2.796 ( -4.504 -3.108 -11.297) 12.553 2.914 ( 8.333 -9.004 -1.086) 12.316 3.253 ( -1.041 0.222 -5.271) 5.377 3.338 ( -0.883 -1.296 -3.382) 3.728 3.470 ( 0.893 3.399 2.185) 4.139 3.830 ( -0.045 0.541 3.416) 3.459 3.957 ( 5.542 -7.550 0.098) 9.366 4.079 ( 0.636 3.785 8.853) 9.649 4.173 ( -2.646 -6.629 -1.234) 7.243 4.303 ( 1.103 2.611 -2.130) 3.546 4.535 ( -1.043 -8.145 -2.133) 8.484 4.810 ( -1.440 -3.253 3.801) 5.206 5.028 ( -3.113 -1.816 -1.602) 3.944 5.100 ( 6.977 -4.478 -2.483) 8.654 5.139 ( 7.270 3.933 -6.271) 10.375 5.391 ( -3.368 -0.173 7.189) 7.941 5.468 ( 4.241 2.946 7.276) 8.922 5.692 ( -3.596 -1.903 -0.637) 4.118 5.921 ( -2.310 -3.031 3.665) 5.287 6.030 ( 0.688 9.218 -1.716) 9.401 6.189 ( -10.063 2.571 2.056) 10.587 6.316 ( -1.844 7.288 -2.239) 7.844 6.336 ( -3.829 0.233 3.397) 5.124 6.535 ( 1.233 4.676 6.115) 7.796 6.666 ( -5.574 3.029 -5.502) 8.398 6.828 ( -2.137 -12.293 -5.422) 13.604 6.915 ( -5.072 -4.845 -2.413) 7.418 6.988 ( 0.987 2.849 -0.883) 3.141 7.011 ( 1.214 -2.520 1.697) 3.272 7.081 ( -0.747 -1.302 -2.094) 2.576 7.634 ( 0.900 0.180 -8.595) 8.644 7.707 ( 1.055 4.061 -3.032) 5.177 7.822 ( -5.905 0.613 5.020) 7.775 8.039 ( 2.778 1.651 -6.210) 7.001 8.175 ( 4.881 3.762 0.574) 6.189 8.389 ( 3.988 -3.913 -2.733) 6.220 8.698 ( 6.036 -7.581 1.470) 9.802 8.919 ( 4.620 1.164 -2.732) 5.493 9.133 ( 7.338 0.748 0.396) 7.387 10.146 ( 4.419 1.435 1.887) 5.015 10.765 ( 7.194 4.298 -3.161) 8.957 10.955 ( -3.422 0.420 9.245) 9.867 11.704 ( -0.263 5.693 10.630) 12.061 11.732 ( -1.527 3.154 10.425) 10.998 12.310 ( -6.615 9.810 -10.971) 16.136 12.560 ( -11.602 -4.695 -5.379) 13.623 12.960 ( 7.919 -9.342 -7.545) 14.385 13.655 ( 4.458 11.026 -2.918) 12.246 13.927 ( 1.725 1.397 -9.955) 10.200 14.170 ( -11.088 4.067 -3.118) 12.215 14.464 ( -5.254 -8.248 -8.870) 13.202 14.636 ( 1.122 0.975 -1.782) 2.321 14.857 ( -0.596 -0.023 4.297) 4.338 14.964 ( -3.824 -0.804 -3.907) 5.526 15.251 ( 2.627 -2.975 4.024) 5.652 15.734 ( 2.301 5.031 13.965) 15.021 15.819 ( 2.595 3.327 15.339) 15.908 16.002 ( 7.582 -4.385 3.752) 9.528 16.726 ( -3.142 0.724 -6.125) 6.922 24.181 ( 0.120 0.997 -0.240) 1.033 24.239 ( 1.822 -1.692 -0.317) 2.507 24.353 ( -0.126 0.805 0.812) 1.150 24.389 ( -0.165 -0.354 -0.040) 0.392 25.579 ( -3.296 -0.803 2.393) 4.151 25.807 ( 1.199 5.883 1.588) 6.210 25.925 ( 0.875 0.482 3.389) 3.533 26.333 ( -5.549 6.906 -0.844) 8.899 26.477 ( -0.708 1.062 5.957) 6.092 26.568 ( -3.061 10.600 -6.405) 12.758 26.956 ( 5.344 -16.507 -8.964) 19.529 27.240 ( -1.910 -15.826 -17.168) 23.427 28.253 ( -3.382 -2.057 6.282) 7.425 28.720 ( -1.972 2.527 5.301) 6.195 28.794 ( 6.139 -1.676 18.400) 19.469 29.459 ( 12.092 4.511 -2.157) 13.085 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -3.197 -6.592 0.913) 7.383 1.287 ( 2.389 -0.804 1.023) 2.721 1.527 ( -5.975 -11.220 7.197) 14.608 1.778 ( -16.753 -15.576 13.556) 26.590 2.045 ( 3.833 4.848 0.364) 6.191 2.173 ( 7.289 -3.962 -4.404) 9.392 2.432 ( 6.074 2.558 -5.067) 8.313 2.677 ( -7.590 -5.286 5.346) 10.683 2.817 ( -3.662 -4.886 -4.695) 7.703 2.900 ( -3.226 -10.852 6.544) 13.077 3.117 ( 9.066 -3.702 -2.294) 10.058 3.207 ( -1.090 0.220 -6.751) 6.842 3.346 ( -0.137 6.420 4.017) 7.575 3.467 ( -0.596 -10.266 -1.742) 10.430 3.792 ( -1.703 4.357 -2.363) 5.241 3.941 ( 0.198 7.856 6.811) 10.399 4.120 ( -4.337 -6.427 5.658) 9.598 4.279 ( -6.920 -4.736 3.839) 9.223 4.374 ( -0.551 -12.315 -0.233) 12.330 4.668 ( 2.310 -3.633 -3.518) 5.560 4.829 ( -2.035 -1.299 0.339) 2.438 5.014 ( -2.874 -1.169 -2.146) 3.773 5.185 ( 6.635 0.549 1.259) 6.775 5.280 ( 5.291 -4.641 -4.320) 8.258 5.413 ( 4.814 4.541 5.252) 8.448 5.418 ( 2.540 -3.079 0.674) 4.048 5.636 ( -3.242 2.049 1.354) 4.067 5.866 ( -1.175 5.745 -1.454) 6.041 5.994 ( -3.429 -0.918 -0.910) 3.664 6.112 ( -5.147 -3.872 4.118) 7.645 6.187 ( -4.141 0.745 -1.648) 4.519 6.351 ( -0.675 -0.914 4.950) 5.079 6.424 ( -2.693 4.035 3.781) 6.151 6.617 ( -1.948 -0.494 -5.333) 5.699 6.870 ( -7.173 1.820 -2.315) 7.754 6.953 ( 0.835 2.056 2.685) 3.483 7.055 ( -0.824 -8.450 -5.073) 9.890 7.058 ( 0.616 -5.335 1.298) 5.525 7.124 ( 0.263 -4.094 -0.610) 4.147 7.608 ( -1.318 2.526 -0.034) 2.849 7.673 ( 4.089 -0.296 -9.017) 9.905 7.771 ( -2.194 1.306 3.395) 4.248 7.977 ( 2.739 6.847 4.282) 8.528 8.168 ( 4.848 1.077 -6.141) 7.898 8.515 ( 1.539 -3.848 -12.040) 12.734 8.805 ( -1.306 0.031 -3.075) 3.340 8.835 ( 3.045 6.619 -1.657) 7.472 9.163 ( 7.234 5.079 4.916) 10.114 10.162 ( 6.885 2.119 2.952) 7.785 10.762 ( 3.672 2.805 5.090) 6.875 10.948 ( 2.740 -1.535 0.688) 3.216 11.571 ( -1.774 7.158 6.596) 9.894 11.677 ( 0.321 2.962 9.727) 10.173 12.020 ( -8.327 11.803 -7.386) 16.223 12.551 ( -9.805 -4.900 -4.987) 12.042 13.237 ( 10.174 -10.711 -5.943) 15.924 13.472 ( 4.008 10.236 -5.263) 12.187 13.868 ( -1.958 2.044 -12.674) 12.986 14.029 ( -7.139 2.278 -0.327) 7.501 14.502 ( -7.634 -3.080 -14.049) 16.283 14.647 ( -0.089 -1.374 1.286) 1.884 14.858 ( -0.859 -0.515 0.667) 1.204 14.968 ( 1.046 -0.989 1.731) 2.252 15.346 ( 2.511 -3.369 5.989) 7.316 15.650 ( -0.322 5.835 14.365) 15.508 15.767 ( -0.243 4.596 15.171) 15.854 16.172 ( 8.090 -5.204 2.698) 9.990 16.657 ( -4.368 2.445 -4.767) 6.912 24.166 ( 0.258 0.618 -0.158) 0.688 24.289 ( 2.270 -1.512 -0.437) 2.762 24.324 ( -1.471 1.047 0.260) 1.824 24.405 ( 0.652 -0.663 0.480) 1.046 25.570 ( -2.817 -0.477 1.335) 3.154 25.711 ( -0.119 3.638 1.200) 3.833 25.907 ( -0.000 1.744 2.674) 3.192 26.114 ( -8.095 6.179 -3.455) 10.754 26.436 ( -0.275 3.153 6.183) 6.946 26.475 ( 0.101 0.389 3.848) 3.869 27.296 ( 4.805 -12.552 -8.573) 15.942 27.509 ( 3.657 -13.988 -23.199) 27.336 28.293 ( -1.986 -3.792 4.602) 6.285 28.624 ( -4.477 3.480 0.011) 5.670 28.904 ( 4.600 -0.882 20.283) 20.817 29.428 ( 11.538 9.380 -0.625) 14.883 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -17.402 -0.000 5.930) 18.385 0.987 ( -22.079 -0.000 6.215) 22.937 1.401 ( -0.728 -0.000 4.468) 4.527 1.405 ( 0.821 0.000 5.854) 5.911 2.062 ( 5.572 0.000 -10.251) 11.668 2.159 ( -30.395 -0.000 24.936) 39.316 2.234 ( -11.172 -0.000 3.641) 11.750 2.700 ( -1.700 -0.000 -12.549) 12.664 2.708 ( 6.746 0.000 -2.523) 7.202 2.844 ( 10.754 0.000 3.893) 11.437 2.861 ( 11.360 0.000 -4.441) 12.198 3.257 ( 3.217 0.000 -1.326) 3.479 3.330 ( 0.000 0.000 -3.044) 3.044 3.537 ( 5.317 0.000 -1.029) 5.415 3.837 ( -0.623 -0.000 6.656) 6.685 3.917 ( 4.191 0.000 -1.772) 4.550 4.054 ( -8.314 -0.000 1.060) 8.381 4.131 ( -1.337 -0.000 9.403) 9.497 4.363 ( -9.516 -0.000 -1.406) 9.619 4.412 ( 6.621 0.000 -3.370) 7.430 4.770 ( 1.390 0.000 -2.238) 2.634 4.974 ( -1.954 -0.000 -2.609) 3.260 5.107 ( 6.121 0.000 -8.034) 10.100 5.239 ( 5.052 0.000 -8.590) 9.965 5.352 ( -4.682 -0.000 9.496) 10.588 5.561 ( 6.926 0.000 6.822) 9.722 5.659 ( 0.377 0.000 3.904) 3.922 5.836 ( -6.958 -0.000 2.868) 7.526 6.117 ( -2.859 -0.000 -1.633) 3.292 6.188 ( -5.300 -0.000 0.359) 5.312 6.294 ( -3.470 -0.000 4.737) 5.872 6.471 ( -1.825 -0.000 -1.714) 2.504 6.506 ( -3.178 -0.000 -2.646) 4.136 6.641 ( -4.547 -0.000 -10.899) 11.810 6.726 ( -6.909 -0.000 -5.798) 9.019 6.736 ( -4.523 -0.000 6.221) 7.691 6.964 ( -5.862 -0.000 -4.269) 7.252 7.045 ( 3.880 0.000 -0.700) 3.942 7.055 ( 2.393 0.000 0.107) 2.395 7.624 ( -1.913 -0.000 -9.566) 9.755 7.756 ( -8.778 -0.000 3.901) 9.606 7.781 ( 5.082 0.000 -4.846) 7.022 8.064 ( 2.945 0.000 -13.676) 13.990 8.140 ( -3.094 -0.000 -0.906) 3.224 8.511 ( 3.714 0.000 4.183) 5.594 8.668 ( 13.929 0.000 8.568) 16.353 8.989 ( 7.433 0.000 -1.645) 7.613 9.210 ( 11.874 0.000 7.093) 13.832 10.215 ( 7.538 0.000 2.268) 7.872 10.875 ( 7.794 0.000 -6.483) 10.138 10.932 ( -5.362 -0.000 11.637) 12.813 11.757 ( -0.812 -0.000 3.127) 3.230 11.795 ( -0.135 -0.000 20.750) 20.750 12.364 ( -13.312 -0.000 -0.202) 13.314 12.367 ( -6.887 -0.000 -17.262) 18.585 12.893 ( 4.645 0.000 -5.828) 7.453 13.863 ( -5.035 -0.000 -9.250) 10.532 13.877 ( 7.552 0.000 -4.597) 8.841 14.173 ( -9.091 -0.000 -4.249) 10.035 14.272 ( -3.668 -0.000 -14.275) 14.738 14.642 ( -1.111 -0.000 -2.342) 2.592 14.881 ( 0.723 0.000 8.906) 8.936 14.884 ( -6.366 -0.000 -4.125) 7.585 15.245 ( 1.975 0.000 6.047) 6.361 15.816 ( 0.783 0.000 3.888) 3.966 15.965 ( 12.165 0.000 26.602) 29.252 16.030 ( 8.985 0.000 3.466) 9.631 16.691 ( -4.201 -0.000 -6.898) 8.076 24.203 ( 0.583 0.000 -0.783) 0.976 24.228 ( 2.020 0.000 0.544) 2.092 24.370 ( 0.724 0.000 1.146) 1.355 24.372 ( -1.723 -0.000 -0.927) 1.956 25.542 ( -3.600 -0.000 3.288) 4.876 25.918 ( 1.309 0.000 6.068) 6.208 25.920 ( 1.373 0.000 -1.580) 2.093 26.423 ( -0.499 -0.000 -4.914) 4.939 26.557 ( 0.766 0.000 5.843) 5.893 26.614 ( -1.805 -0.000 -2.992) 3.494 26.700 ( -13.350 -0.000 -25.854) 29.097 26.987 ( 1.122 0.000 -4.008) 4.162 28.211 ( -2.955 -0.000 5.353) 6.114 28.701 ( -5.868 -0.000 -1.741) 6.120 28.946 ( 19.424 0.000 35.603) 40.557 29.604 ( 11.870 0.000 -1.613) 11.979 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -12.853 -14.900 12.940) 23.551 1.121 ( -11.968 -18.201 4.222) 22.189 1.414 ( -1.353 -0.547 3.322) 3.628 1.455 ( -3.282 -4.035 10.832) 12.016 2.077 ( -36.136 -23.106 28.436) 51.462 2.141 ( 8.588 -2.753 -10.726) 14.013 2.187 ( 3.202 3.261 -1.662) 4.863 2.636 ( 6.395 9.204 -3.255) 11.670 2.734 ( 2.674 -3.864 -7.647) 8.975 2.881 ( 6.064 2.816 2.990) 7.324 3.025 ( 3.347 -7.345 -3.413) 8.763 3.268 ( 2.723 2.767 -0.071) 3.883 3.339 ( 2.106 -2.046 -2.232) 3.688 3.543 ( 7.206 5.196 -3.046) 9.392 3.834 ( -1.875 1.470 4.149) 4.784 3.954 ( -5.433 -3.890 5.655) 8.754 4.057 ( -1.809 0.326 5.241) 5.554 4.170 ( 1.322 -7.961 -1.009) 8.133 4.221 ( -7.216 3.218 1.464) 8.036 4.534 ( -0.427 -8.015 -1.659) 8.196 4.795 ( -1.974 -1.701 -4.687) 5.363 4.971 ( -1.583 0.323 -3.929) 4.249 5.201 ( 6.653 -6.621 -10.581) 14.145 5.264 ( 7.623 0.080 -5.958) 9.675 5.343 ( -3.924 -1.383 8.797) 9.732 5.580 ( 4.263 5.342 5.470) 8.754 5.628 ( -2.359 1.437 0.658) 2.839 5.884 ( -3.510 -6.653 4.368) 8.698 5.995 ( -7.074 8.349 1.385) 11.030 6.051 ( -3.039 3.031 0.018) 4.292 6.242 ( -2.634 6.684 -3.301) 7.907 6.323 ( -1.055 -0.068 3.348) 3.511 6.470 ( -11.968 4.904 -9.891) 16.282 6.587 ( 0.253 -0.604 3.464) 3.525 6.715 ( -8.632 -7.683 -3.015) 11.943 6.821 ( -1.784 -7.404 -0.117) 7.617 6.992 ( -0.966 -4.788 -3.273) 5.880 7.056 ( 0.523 1.171 1.806) 2.215 7.114 ( 5.512 -1.097 0.250) 5.625 7.575 ( -4.225 0.042 -3.974) 5.801 7.707 ( -5.831 -1.213 1.763) 6.211 7.788 ( 6.195 2.840 -7.166) 9.889 8.038 ( -0.585 0.834 -5.019) 5.122 8.229 ( 2.486 -4.262 -9.084) 10.337 8.474 ( 5.431 2.638 -0.117) 6.039 8.794 ( 1.899 -0.745 -2.462) 3.198 9.000 ( 7.042 4.726 1.234) 8.570 9.347 ( 14.526 4.088 12.777) 19.773 10.282 ( 9.946 1.652 2.667) 10.429 10.857 ( -1.868 4.110 7.843) 9.049 10.942 ( 5.326 -2.049 -2.085) 6.076 11.717 ( -1.309 7.700 8.684) 11.680 11.735 ( -1.393 2.479 10.887) 11.252 12.142 ( -9.351 8.816 -7.725) 14.995 12.355 ( -9.964 -5.219 -5.383) 12.470 13.085 ( 9.070 -12.800 -5.178) 16.520 13.671 ( -2.110 8.179 -7.793) 11.492 13.938 ( 2.987 6.482 -15.780) 17.319 14.006 ( -5.704 1.226 -0.666) 5.872 14.305 ( -10.359 -5.402 -15.637) 19.520 14.636 ( -0.393 -1.121 0.656) 1.357 14.822 ( -2.774 -0.347 0.995) 2.967 14.950 ( 0.840 -3.116 5.866) 6.695 15.302 ( 1.421 -3.221 8.511) 9.210 15.784 ( 0.616 4.174 3.294) 5.353 15.940 ( 5.133 11.746 25.052) 28.141 16.176 ( 10.231 -2.978 5.667) 12.069 16.642 ( -4.414 0.646 -5.348) 6.964 24.190 ( 0.953 1.240 -0.151) 1.571 24.273 ( 1.991 -1.828 0.068) 2.704 24.336 ( -1.647 1.317 -0.483) 2.163 24.393 ( 0.360 -1.165 0.570) 1.346 25.529 ( -3.153 -1.081 2.833) 4.375 25.819 ( -0.698 7.744 0.101) 7.776 25.935 ( -0.637 0.897 2.826) 3.032 26.144 ( -13.687 7.920 -6.262) 17.008 26.492 ( 0.852 0.874 4.098) 4.276 26.525 ( -1.401 5.371 0.711) 5.596 27.055 ( 8.956 -19.524 -11.282) 24.263 27.167 ( -1.016 -18.063 -19.264) 26.428 28.218 ( -2.129 -2.417 4.351) 5.414 28.635 ( -4.382 1.805 -1.577) 4.994 29.087 ( 15.930 8.450 34.345) 38.791 29.676 ( 12.940 4.177 -0.154) 13.599 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -15.745 -0.000 19.945) 25.411 0.678 ( -18.028 -0.000 19.819) 26.792 1.408 ( -12.156 -0.000 11.067) 16.439 1.429 ( 0.603 0.000 1.979) 2.069 1.557 ( -26.118 -0.000 41.682) 49.189 2.167 ( 9.424 0.000 -11.289) 14.705 2.247 ( 2.297 0.000 -2.620) 3.485 2.708 ( 5.194 0.000 -6.272) 8.144 2.784 ( 2.295 0.000 -1.067) 2.530 2.978 ( 5.019 0.000 -5.312) 7.308 2.993 ( 3.659 0.000 1.398) 3.917 3.331 ( 2.831 0.000 3.738) 4.689 3.332 ( 1.104 0.000 -1.718) 2.042 3.660 ( 8.912 0.000 -3.220) 9.476 3.811 ( -8.250 -0.000 5.693) 10.023 3.933 ( -1.463 -0.000 3.743) 4.019 3.947 ( 0.414 0.000 -0.525) 0.668 4.127 ( -2.287 -0.000 5.091) 5.581 4.184 ( -8.701 -0.000 -1.363) 8.807 4.452 ( -0.205 -0.000 -0.400) 0.450 4.723 ( -4.729 -0.000 -4.969) 6.860 4.979 ( 1.832 0.000 -6.306) 6.567 5.163 ( 3.363 0.000 -18.011) 18.322 5.293 ( 3.972 0.000 -8.334) 9.233 5.312 ( -3.117 -0.000 10.721) 11.165 5.688 ( 3.655 0.000 2.379) 4.361 5.691 ( 1.777 0.000 4.984) 5.291 5.744 ( -2.591 -0.000 5.724) 6.283 6.013 ( -6.742 -0.000 2.185) 7.087 6.148 ( -1.314 -0.000 -0.571) 1.433 6.238 ( -3.757 -0.000 0.498) 3.790 6.312 ( -24.640 -0.000 -22.519) 33.380 6.445 ( -0.620 -0.000 -1.921) 2.019 6.490 ( 1.630 0.000 -3.978) 4.299 6.661 ( -4.993 -0.000 4.190) 6.518 6.690 ( -1.270 -0.000 0.924) 1.571 6.786 ( -10.250 -0.000 -2.019) 10.447 7.100 ( 2.316 0.000 0.356) 2.343 7.131 ( 5.312 0.000 -2.527) 5.882 7.557 ( -2.291 -0.000 -7.547) 7.887 7.611 ( -8.246 -0.000 3.486) 8.953 7.881 ( 7.104 0.000 -5.453) 8.955 8.078 ( -3.451 -0.000 -2.751) 4.414 8.079 ( 2.378 0.000 -6.707) 7.116 8.584 ( 2.701 0.000 2.164) 3.461 8.804 ( 2.187 0.000 -3.990) 4.551 9.102 ( 5.612 0.000 3.250) 6.485 9.659 ( 33.204 0.000 21.954) 39.805 10.393 ( 11.061 0.000 3.334) 11.552 10.843 ( -7.849 -0.000 10.060) 12.760 10.990 ( 6.649 0.000 -6.239) 9.117 11.759 ( 0.480 0.000 1.691) 1.758 11.841 ( -1.002 -0.000 21.776) 21.799 12.144 ( -11.491 -0.000 0.628) 11.508 12.196 ( -6.721 -0.000 -17.839) 19.063 12.949 ( 3.333 0.000 -2.386) 4.099 13.686 ( -13.444 -0.000 -16.977) 21.656 13.916 ( -1.280 -0.000 -1.720) 2.144 14.105 ( 2.392 0.000 -15.712) 15.893 14.128 ( -7.762 -0.000 -5.955) 9.783 14.609 ( -1.729 -0.000 1.734) 2.449 14.791 ( -3.084 -0.000 -0.670) 3.156 14.923 ( 1.327 0.000 12.377) 12.448 15.292 ( 1.004 0.000 9.757) 9.809 15.819 ( -0.545 -0.000 -1.046) 1.179 16.194 ( 7.876 0.000 3.115) 8.470 16.374 ( 26.680 0.000 24.255) 36.058 16.590 ( -4.745 -0.000 -7.426) 8.812 24.217 ( 1.030 0.000 -0.281) 1.067 24.268 ( 2.304 0.000 0.683) 2.403 24.333 ( -2.381 -0.000 -0.989) 2.579 24.378 ( -0.091 -0.000 0.546) 0.554 25.492 ( -2.929 -0.000 3.363) 4.460 25.933 ( -0.416 -0.000 -3.373) 3.399 25.935 ( -0.723 -0.000 3.424) 3.499 26.131 ( -27.333 -0.000 -26.570) 38.119 26.518 ( -0.250 -0.000 0.065) 0.258 26.592 ( -0.019 -0.000 -1.300) 1.300 26.645 ( 5.267 0.000 6.824) 8.620 26.992 ( 0.697 0.000 -4.353) 4.408 28.183 ( -1.643 -0.000 4.101) 4.418 28.616 ( -3.177 -0.000 -2.248) 3.892 29.571 ( 42.161 0.000 38.998) 57.432 29.781 ( 7.922 0.000 0.468) 7.936 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -1.521 -0.000 19.926) 19.984 1.067 ( 0.621 0.000 19.093) 19.103 1.409 ( -15.418 -0.000 9.427) 18.071 1.445 ( -4.896 -0.000 6.563) 8.188 2.078 ( 1.784 0.000 -11.769) 11.903 2.120 ( 18.312 0.000 -17.119) 25.067 2.448 ( -4.777 -0.000 44.028) 44.286 2.736 ( 2.543 0.000 -0.985) 2.727 2.801 ( -0.748 -0.000 5.745) 5.794 3.006 ( -4.271 -0.000 5.004) 6.578 3.011 ( 7.377 0.000 -2.342) 7.740 3.371 ( 3.318 0.000 1.569) 3.670 3.424 ( -2.741 -0.000 0.842) 2.868 3.808 ( -9.462 -0.000 12.220) 15.455 3.835 ( 10.358 0.000 0.549) 10.372 3.843 ( -7.048 -0.000 1.621) 7.232 3.978 ( 1.649 0.000 1.480) 2.216 4.051 ( -2.272 -0.000 -7.124) 7.478 4.237 ( 3.458 0.000 0.235) 3.466 4.387 ( -1.334 -0.000 -5.605) 5.762 4.606 ( -0.392 -0.000 -26.781) 26.784 4.714 ( 2.631 0.000 -14.157) 14.399 4.870 ( 6.879 0.000 4.450) 8.192 5.149 ( 1.351 0.000 -9.541) 9.636 5.559 ( -4.388 -0.000 16.418) 16.994 5.680 ( -0.949 -0.000 0.739) 1.203 5.694 ( -6.667 -0.000 0.314) 6.675 5.853 ( -1.223 -0.000 3.796) 3.988 5.860 ( -2.035 -0.000 2.847) 3.499 6.036 ( 1.554 0.000 -1.582) 2.217 6.096 ( -2.776 -0.000 2.220) 3.554 6.218 ( 3.571 0.000 -1.395) 3.833 6.368 ( 1.314 0.000 -6.626) 6.755 6.395 ( 6.850 0.000 -8.720) 11.089 6.653 ( -6.335 -0.000 4.435) 7.733 6.777 ( 1.234 0.000 2.423) 2.719 6.824 ( 1.208 0.000 9.213) 9.292 7.137 ( 1.852 0.000 -2.004) 2.729 7.185 ( 2.719 0.000 1.947) 3.345 7.367 ( -0.567 -0.000 -6.957) 6.980 7.620 ( -6.349 -0.000 6.560) 9.129 7.854 ( 8.337 0.000 -7.379) 11.133 7.947 ( -2.737 -0.000 -3.642) 4.555 8.007 ( 1.501 0.000 -7.410) 7.560 8.599 ( -2.196 -0.000 0.482) 2.248 8.687 ( 1.446 0.000 -5.106) 5.307 9.414 ( 5.213 0.000 13.198) 14.191 9.912 ( -9.525 -0.000 -9.516) 13.464 10.659 ( 3.796 0.000 6.653) 7.660 10.918 ( -0.973 -0.000 -7.142) 7.208 10.990 ( -6.062 -0.000 16.433) 17.516 11.731 ( 8.495 0.000 -15.591) 17.755 11.881 ( 5.401 0.000 -1.864) 5.714 11.958 ( -6.996 -0.000 -2.395) 7.394 12.284 ( -7.183 -0.000 25.075) 26.083 12.994 ( 6.729 0.000 -4.060) 7.859 13.416 ( 1.103 0.000 -1.353) 1.746 13.641 ( -3.809 -0.000 -19.131) 19.507 13.938 ( 4.094 0.000 0.920) 4.196 14.032 ( -1.765 -0.000 -3.654) 4.058 14.681 ( -0.455 -0.000 3.954) 3.980 14.782 ( 1.705 0.000 -0.651) 1.826 15.277 ( 3.794 0.000 13.922) 14.430 15.608 ( -4.560 -0.000 14.052) 14.773 15.704 ( 2.312 0.000 -3.458) 4.160 16.231 ( -7.744 -0.000 -7.756) 10.960 16.429 ( 7.861 0.000 -1.645) 8.031 16.578 ( -6.156 -0.000 -5.052) 7.964 24.244 ( 1.422 0.000 0.721) 1.594 24.275 ( -2.227 -0.000 -0.728) 2.343 24.338 ( 2.769 0.000 0.899) 2.912 24.365 ( -1.554 -0.000 -0.430) 1.612 25.536 ( -1.598 -0.000 4.277) 4.566 25.671 ( 1.770 0.000 -2.061) 2.716 25.940 ( -3.845 -0.000 1.650) 4.184 25.983 ( 2.024 0.000 0.079) 2.025 26.587 ( 0.392 0.000 4.880) 4.896 26.624 ( 2.310 0.000 1.589) 2.804 26.746 ( 3.219 0.000 -4.019) 5.149 26.868 ( 0.506 0.000 -7.655) 7.672 28.275 ( -0.330 -0.000 6.154) 6.163 28.507 ( -0.134 -0.000 -4.972) 4.973 29.921 ( 2.292 0.000 3.473) 4.161 30.049 ( -8.114 -0.000 -2.678) 8.544 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 3.398 -3.975 11.795) 12.902 1.212 ( -5.456 -12.458 15.981) 20.985 1.280 ( -4.261 1.765 -2.378) 5.189 1.604 ( -3.439 -14.623 14.347) 20.773 2.099 ( 0.799 -0.620 -10.036) 10.086 2.289 ( 14.416 -2.688 -13.127) 19.682 2.535 ( -0.700 -6.982 24.056) 25.059 2.649 ( -1.730 9.315 -0.872) 9.515 2.791 ( 0.867 -4.652 12.804) 13.651 3.010 ( -3.182 -1.948 4.230) 5.640 3.126 ( 5.172 -3.673 2.506) 6.821 3.318 ( -4.186 3.851 -0.253) 5.694 3.381 ( -0.117 0.574 -1.062) 1.213 3.636 ( -6.835 8.059 4.052) 11.317 3.836 ( 2.523 1.086 2.551) 3.749 3.968 ( 1.036 -3.444 4.975) 6.138 4.022 ( -2.752 -4.409 3.172) 6.089 4.137 ( -1.624 -11.968 -2.650) 12.365 4.296 ( -1.505 -0.863 7.145) 7.352 4.438 ( 3.644 -3.851 -10.490) 11.753 4.575 ( 5.489 -3.941 -21.789) 22.813 4.766 ( -5.804 -5.599 -10.945) 13.595 4.997 ( 11.701 -2.861 -2.500) 12.303 5.192 ( 3.854 -3.219 -9.506) 10.751 5.488 ( -2.969 4.594 10.562) 11.895 5.625 ( -0.396 1.616 6.759) 6.961 5.694 ( 1.182 0.046 0.827) 1.443 5.814 ( -3.423 2.129 0.163) 4.034 5.855 ( -2.329 6.772 2.950) 7.745 6.008 ( 2.472 -4.417 -0.505) 5.087 6.054 ( 2.012 -1.796 0.795) 2.812 6.231 ( 6.132 5.037 -7.390) 10.844 6.379 ( -2.066 -6.231 3.635) 7.504 6.565 ( -3.667 2.622 5.033) 6.757 6.712 ( 6.641 -11.271 -4.140) 13.722 6.816 ( -0.620 -5.033 1.930) 5.426 6.951 ( 6.675 -6.826 -1.337) 9.641 7.112 ( 1.704 1.776 -1.183) 2.730 7.237 ( -0.534 2.393 -0.140) 2.456 7.337 ( -0.801 -3.843 -3.210) 5.071 7.623 ( -4.798 -3.889 2.439) 6.641 7.865 ( 3.955 3.222 -5.429) 7.449 7.948 ( 2.014 -0.848 -2.764) 3.524 8.006 ( -1.616 0.294 -7.513) 7.691 8.554 ( -1.696 2.923 -0.091) 3.380 8.664 ( 2.951 3.045 -3.734) 5.650 9.417 ( 0.458 3.726 10.544) 11.193 9.557 ( -17.741 17.358 -2.282) 24.925 10.672 ( -3.423 0.361 6.979) 7.782 10.865 ( -3.292 3.683 -0.260) 4.947 10.990 ( -3.484 -2.234 5.195) 6.642 11.704 ( 12.187 9.417 -13.560) 20.520 11.796 ( -4.818 6.257 2.974) 8.439 11.974 ( 6.881 -0.157 -1.092) 6.969 12.322 ( -6.257 -6.081 19.885) 21.715 13.153 ( 2.970 -9.336 -7.938) 12.609 13.420 ( 3.679 2.219 -3.949) 5.835 13.487 ( -1.836 8.226 -15.934) 18.026 13.966 ( 2.960 1.056 0.771) 3.236 14.036 ( 5.068 -1.589 -5.488) 7.638 14.689 ( 0.516 -0.273 2.887) 2.945 14.800 ( 2.002 0.256 -1.613) 2.584 15.320 ( 1.363 0.348 12.949) 13.026 15.573 ( -8.656 -1.021 1.490) 8.843 15.736 ( 4.661 0.522 9.164) 10.294 16.140 ( -5.588 1.908 -7.061) 9.204 16.335 ( -6.667 6.481 7.732) 12.093 16.578 ( 0.924 -1.949 -4.199) 4.721 24.229 ( -1.249 1.288 0.456) 1.851 24.264 ( 0.926 0.286 -0.345) 1.028 24.353 ( -1.431 -0.505 -0.058) 1.518 24.374 ( 1.088 -1.001 0.116) 1.484 25.542 ( 0.523 -0.566 3.726) 3.805 25.677 ( 3.702 2.456 -1.850) 4.813 25.923 ( -2.483 -0.212 1.011) 2.689 26.003 ( 4.573 -0.084 0.881) 4.658 26.600 ( 0.461 0.500 4.012) 4.070 26.616 ( -1.339 2.935 4.973) 5.927 26.825 ( 0.788 -10.236 -8.837) 13.546 27.039 ( 5.011 -12.024 -13.109) 18.480 28.304 ( 0.891 -1.935 5.816) 6.194 28.500 ( 1.281 0.550 -4.445) 4.659 29.689 ( -13.711 15.995 11.324) 23.918 29.892 ( -6.621 7.189 -0.424) 9.783 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 2.166 -4.842 -0.070) 5.305 1.256 ( 0.225 -1.735 -2.136) 2.761 1.499 ( -3.952 -16.262 12.250) 20.740 1.851 ( 2.249 -7.805 9.142) 12.229 2.056 ( -1.774 0.754 0.874) 2.117 2.416 ( 3.038 -1.299 -2.129) 3.931 2.509 ( 6.406 2.141 -4.856) 8.319 2.720 ( 1.528 -8.811 -6.214) 10.890 2.932 ( -0.041 -0.248 9.452) 9.455 3.028 ( -5.459 -4.316 11.264) 13.240 3.129 ( 4.209 5.411 -4.482) 8.191 3.279 ( -6.196 5.779 -1.516) 8.607 3.375 ( -3.925 -7.829 4.133) 9.684 3.513 ( 2.090 -0.253 -0.271) 2.122 3.801 ( -1.478 1.684 8.467) 8.758 3.953 ( -0.890 1.864 2.278) 3.075 4.197 ( 1.881 -6.480 1.542) 6.921 4.258 ( -3.631 -4.373 11.189) 12.550 4.382 ( -3.285 -11.193 0.979) 11.706 4.524 ( 4.615 -4.496 -12.409) 13.982 4.746 ( 5.104 -4.939 0.774) 7.144 4.870 ( 1.245 -10.937 -14.724) 18.384 5.111 ( -0.341 -5.062 -6.955) 8.609 5.319 ( 5.395 -5.426 -2.378) 8.013 5.391 ( 1.202 5.884 8.502) 10.409 5.579 ( -3.491 2.544 7.583) 8.727 5.635 ( -1.073 5.828 0.225) 5.930 5.742 ( 2.499 2.590 -2.948) 4.652 5.819 ( -1.385 -2.064 -2.113) 3.263 6.044 ( 4.330 1.057 -3.306) 5.549 6.203 ( 3.533 -5.152 -2.121) 6.597 6.250 ( 5.579 -2.831 -0.986) 6.333 6.387 ( -2.246 1.698 5.270) 5.975 6.581 ( -3.217 -5.206 8.245) 10.268 6.809 ( 1.261 0.038 4.211) 4.396 6.953 ( -0.993 -2.252 3.021) 3.896 7.117 ( 2.720 -1.917 -4.435) 5.544 7.143 ( 7.319 -6.590 -7.904) 12.628 7.190 ( 1.914 -1.546 -4.103) 4.784 7.451 ( -1.587 -6.727 -1.289) 7.031 7.647 ( -4.704 -1.985 -2.163) 5.545 7.799 ( -0.077 5.032 -3.858) 6.342 7.945 ( -4.460 1.537 -3.807) 6.062 7.987 ( 5.609 0.052 -0.186) 5.613 8.425 ( -1.202 9.191 -2.013) 9.485 8.653 ( 6.176 2.065 -2.299) 6.906 9.089 ( -15.954 12.441 -1.095) 20.261 9.330 ( -1.483 6.540 4.422) 8.032 10.561 ( -11.817 5.074 7.045) 14.664 10.781 ( 3.461 3.751 7.032) 8.689 11.013 ( -6.020 -3.896 -4.209) 8.314 11.588 ( 13.068 11.617 -8.874) 19.608 11.650 ( -4.003 4.777 1.877) 6.509 11.982 ( 3.795 5.053 8.689) 10.744 12.441 ( -0.510 -7.020 8.382) 10.945 13.183 ( -4.806 8.210 -20.648) 22.734 13.338 ( 0.578 -4.785 -1.034) 4.929 13.509 ( 5.478 -3.484 -6.819) 9.415 13.955 ( 1.216 1.598 -0.229) 2.021 14.174 ( 11.334 -4.912 -6.491) 13.954 14.709 ( 2.335 -0.399 1.842) 3.001 14.797 ( 1.434 1.192 -2.641) 3.233 15.301 ( -2.418 2.821 10.533) 11.169 15.499 ( -7.683 1.056 -3.025) 8.325 15.769 ( 1.548 0.623 13.032) 13.138 16.065 ( -1.139 2.701 5.334) 6.086 16.209 ( -9.859 -0.849 4.190) 10.746 16.602 ( 2.877 0.968 -3.750) 4.825 24.195 ( -1.595 0.877 0.056) 1.821 24.272 ( 2.348 0.400 0.061) 2.382 24.343 ( -2.868 -0.516 -0.467) 2.951 24.399 ( 0.953 -0.514 0.419) 1.161 25.564 ( 1.030 -0.109 1.857) 2.126 25.655 ( 2.296 1.572 0.142) 2.786 25.898 ( -1.645 0.635 1.017) 2.036 26.046 ( 5.981 1.665 -0.498) 6.228 26.548 ( -3.366 0.293 7.277) 8.023 26.627 ( -0.730 -0.898 9.562) 9.632 27.020 ( -0.158 -9.970 -12.279) 15.818 27.289 ( 5.815 -9.721 -20.340) 23.282 28.376 ( 1.991 -3.383 4.465) 5.945 28.498 ( 2.266 0.818 -2.819) 3.709 29.309 ( -13.460 10.825 15.343) 23.103 29.646 ( -6.469 11.312 -0.881) 13.061 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -0.932 -4.697 -2.645) 5.470 1.328 ( 3.816 -2.769 2.084) 5.155 1.624 ( -6.419 -1.782 5.667) 8.746 1.979 ( -0.690 -2.371 1.998) 3.177 2.179 ( 10.275 -10.533 1.609) 14.802 2.465 ( -1.285 -5.758 14.945) 16.067 2.602 ( 6.390 -0.773 -10.473) 12.293 2.806 ( -4.287 7.034 1.075) 8.307 2.858 ( -3.424 -3.109 -5.420) 7.125 2.992 ( -1.331 2.397 4.209) 5.024 3.076 ( -1.190 6.733 -4.707) 8.301 3.129 ( 0.480 0.660 2.125) 2.276 3.412 ( -5.136 0.134 1.975) 5.504 3.584 ( 6.419 -1.090 -5.270) 8.376 3.849 ( -3.153 6.114 -0.126) 6.880 3.869 ( -3.477 -6.812 14.194) 16.123 4.284 ( 1.817 -3.709 -3.853) 5.648 4.455 ( 0.660 -11.390 7.145) 13.462 4.511 ( -5.250 -3.592 5.478) 8.395 4.657 ( 8.913 -5.701 -3.210) 11.057 4.877 ( 0.233 -6.360 3.593) 7.309 5.092 ( 3.285 -8.829 -6.608) 11.507 5.221 ( -1.450 -8.414 -5.759) 10.299 5.281 ( -0.357 5.690 7.657) 9.547 5.440 ( 0.043 -2.556 1.471) 2.950 5.483 ( -2.739 4.070 5.063) 7.050 5.555 ( -2.308 1.678 -1.143) 3.074 5.699 ( 2.687 3.849 -4.736) 6.668 5.824 ( 0.787 2.257 -2.649) 3.568 6.057 ( 3.525 -0.840 -5.004) 6.178 6.281 ( -0.149 -2.991 3.310) 4.464 6.342 ( 2.835 -0.611 1.205) 3.141 6.414 ( 3.149 -3.397 -0.384) 4.648 6.650 ( -0.127 -0.612 7.322) 7.349 6.794 ( 1.021 0.668 1.932) 2.285 6.940 ( -4.172 -0.493 5.952) 7.285 7.200 ( 0.268 -5.167 -3.717) 6.371 7.259 ( 2.022 -2.197 -5.035) 5.854 7.310 ( 5.664 -3.145 -6.928) 9.485 7.536 ( 1.414 -1.769 -7.410) 7.748 7.591 ( -6.354 1.825 -2.861) 7.203 7.701 ( -2.555 0.858 4.016) 4.836 7.881 ( -1.583 2.499 -2.460) 3.847 8.039 ( 6.916 0.829 2.144) 7.287 8.248 ( 0.018 5.230 -1.447) 5.427 8.610 ( 0.402 6.416 -6.384) 9.060 8.849 ( -6.245 1.958 -1.982) 6.838 9.181 ( -2.186 6.402 1.054) 6.846 10.362 ( -8.221 5.653 6.327) 11.814 10.785 ( 1.244 -0.218 9.169) 9.256 11.015 ( -3.433 -1.281 -6.254) 7.249 11.487 ( 3.840 5.450 1.772) 6.898 11.561 ( 3.157 3.715 -8.018) 9.383 11.901 ( 0.096 5.162 14.101) 15.016 12.572 ( 2.068 -4.077 -0.166) 4.575 12.981 ( -3.233 4.766 -16.653) 17.621 13.433 ( 2.542 -2.851 -2.221) 4.418 13.614 ( 1.820 -4.247 -7.220) 8.572 13.934 ( -0.080 0.899 -0.789) 1.199 14.358 ( 9.743 -4.187 -4.310) 11.447 14.754 ( 2.934 -1.442 -0.220) 3.277 14.774 ( 0.503 1.628 -2.714) 3.205 15.209 ( -3.884 4.407 8.755) 10.543 15.406 ( -5.246 1.568 -3.659) 6.586 15.773 ( -0.549 0.802 12.606) 12.644 16.023 ( -2.885 1.095 14.640) 14.961 16.203 ( -3.435 -3.599 -2.134) 5.413 16.581 ( 1.949 2.700 -3.880) 5.113 24.170 ( -0.961 0.548 -0.128) 1.113 24.289 ( 2.549 0.088 0.194) 2.558 24.325 ( -2.770 -0.293 -0.416) 2.816 24.412 ( 0.389 -0.219 0.309) 0.543 25.564 ( 0.337 0.507 0.130) 0.623 25.664 ( 1.749 -0.176 1.071) 2.058 25.881 ( -1.250 -0.057 1.461) 1.924 26.030 ( 3.496 3.625 -1.658) 5.302 26.558 ( -3.434 -2.420 12.655) 13.334 26.647 ( -0.883 -0.416 11.750) 11.791 27.162 ( 0.674 -6.244 -15.124) 16.376 27.435 ( 4.465 -3.371 -22.962) 23.634 28.466 ( 1.363 -3.316 2.587) 4.421 28.501 ( 2.525 0.876 -0.241) 2.684 29.102 ( -7.577 2.728 11.485) 14.027 29.384 ( -5.232 9.562 0.520) 10.912 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -3.566 1.776 0.971) 4.100 1.402 ( 3.059 -0.883 3.133) 4.467 1.654 ( 1.783 -4.831 -1.387) 5.333 1.997 ( -2.953 -2.453 4.011) 5.552 2.390 ( -1.830 4.806 2.255) 5.615 2.512 ( 1.963 8.381 -7.811) 11.624 2.590 ( -3.268 -3.506 15.801) 16.512 2.669 ( 5.550 2.149 0.645) 5.987 2.845 ( -0.827 -1.103 -2.961) 3.267 2.922 ( 0.108 -0.400 -2.287) 2.324 3.030 ( 1.122 5.552 -0.716) 5.709 3.164 ( -1.121 -7.575 3.427) 8.390 3.418 ( -3.635 -4.951 0.092) 6.143 3.566 ( 3.796 9.455 -3.418) 10.746 3.738 ( 0.798 -0.431 -1.088) 1.416 3.977 ( -1.787 -2.881 7.366) 8.109 4.328 ( -3.843 -2.199 -5.926) 7.397 4.443 ( -4.150 3.501 8.991) 10.503 4.654 ( 2.333 -5.000 -2.232) 5.952 4.828 ( 6.100 -0.063 3.954) 7.269 4.944 ( -1.758 1.460 3.844) 4.472 5.151 ( -2.205 1.658 6.868) 7.402 5.226 ( 2.031 0.349 -0.224) 2.072 5.342 ( -0.738 6.091 -3.126) 6.886 5.371 ( -0.093 -1.340 -1.346) 1.902 5.480 ( -1.935 -3.614 4.086) 5.788 5.560 ( -1.274 -6.463 2.036) 6.895 5.644 ( 4.069 3.475 -4.186) 6.793 5.786 ( -2.134 -0.684 -4.479) 5.008 6.122 ( 1.887 -2.310 -7.651) 8.212 6.312 ( -2.432 -0.358 3.559) 4.326 6.398 ( -0.540 -4.055 6.245) 7.465 6.452 ( 0.198 1.701 -4.085) 4.429 6.618 ( 4.548 3.808 0.583) 5.960 6.853 ( 2.304 -2.339 8.137) 8.775 6.915 ( -6.819 -1.528 7.632) 10.348 7.199 ( -6.138 3.156 -7.008) 9.836 7.304 ( 2.302 4.710 -4.928) 7.195 7.313 ( 4.522 -2.462 -6.392) 8.208 7.450 ( 2.365 8.531 -5.447) 10.394 7.593 ( -1.524 -2.329 -1.375) 3.105 7.754 ( -1.202 -6.614 -0.779) 6.767 7.850 ( 4.065 0.964 4.671) 6.267 8.070 ( 3.000 0.503 0.837) 3.155 8.243 ( -1.685 -3.157 -1.855) 4.030 8.490 ( -3.170 0.622 -9.271) 9.818 8.812 ( 2.142 0.584 -2.916) 3.665 9.094 ( -1.105 0.893 1.551) 2.103 10.258 ( -0.227 1.599 5.994) 6.208 10.819 ( -2.503 -2.561 9.931) 10.557 10.992 ( 2.378 1.999 -5.148) 6.013 11.472 ( 0.608 -0.766 3.279) 3.421 11.519 ( -0.209 0.282 -10.385) 10.391 11.867 ( -1.021 -0.468 14.499) 14.542 12.588 ( -2.253 1.778 -4.785) 5.580 12.945 ( 3.532 -2.783 -13.995) 14.700 13.469 ( 3.684 1.816 -2.342) 4.728 13.663 ( -0.787 -0.837 -7.399) 7.488 13.924 ( -1.127 -0.692 -1.142) 1.747 14.454 ( 1.410 0.056 -1.660) 2.179 14.697 ( -4.767 2.442 -3.523) 6.411 14.829 ( 3.986 -1.395 0.307) 4.235 15.125 ( -0.431 2.337 7.017) 7.409 15.374 ( 0.195 -1.572 -3.087) 3.470 15.772 ( -0.596 0.329 11.595) 11.615 16.009 ( -4.496 -0.911 15.490) 16.155 16.257 ( 2.376 -2.381 -2.525) 4.206 16.533 ( -0.249 2.202 -3.724) 4.333 24.158 ( -0.009 0.187 -0.099) 0.212 24.305 ( -1.568 -0.357 0.238) 1.626 24.311 ( 1.504 0.225 -0.430) 1.581 24.418 ( 0.092 -0.162 0.142) 0.234 25.560 ( -0.105 -0.015 -0.072) 0.129 25.681 ( 0.127 -0.474 0.479) 0.686 25.884 ( -0.924 -1.000 1.967) 2.392 25.989 ( 0.874 1.941 -1.549) 2.633 26.589 ( -2.271 -1.266 13.888) 14.130 26.656 ( -1.687 -0.002 13.355) 13.461 27.232 ( 2.489 -1.672 -16.711) 16.977 27.437 ( 3.199 3.447 -22.972) 23.449 28.485 ( 0.013 1.651 1.285) 2.092 28.527 ( -0.743 -1.608 2.189) 2.816 29.101 ( -0.081 -4.204 5.198) 6.686 29.224 ( -1.037 3.251 4.203) 5.414 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -1.706 2.581 -0.358) 3.114 1.406 ( 0.111 2.297 0.025) 2.300 1.780 ( 4.311 -2.170 0.994) 4.927 2.017 ( -2.309 0.066 2.643) 3.510 2.164 ( -8.522 6.575 7.639) 13.199 2.289 ( 0.791 12.856 -4.307) 13.582 2.455 ( -3.970 8.953 7.670) 12.440 2.768 ( 2.926 -1.947 3.235) 4.777 2.907 ( 3.373 5.060 -2.970) 6.767 2.946 ( 0.097 -3.511 -1.976) 4.030 3.071 ( 10.686 -7.036 -1.739) 12.912 3.272 ( -5.427 -3.779 6.811) 9.493 3.382 ( 2.882 8.409 -0.420) 8.899 3.523 ( -3.539 -8.958 -3.123) 10.126 3.786 ( 3.438 5.124 5.290) 8.128 3.934 ( -2.183 1.511 3.909) 4.725 4.287 ( -6.431 1.160 2.105) 6.865 4.379 ( -0.800 1.522 1.024) 2.001 4.644 ( -5.657 8.091 6.478) 11.808 4.717 ( 0.104 10.710 -0.471) 10.721 4.805 ( 3.202 6.840 -4.543) 8.813 5.063 ( -3.767 6.094 1.949) 7.424 5.232 ( 0.375 4.827 -7.619) 9.027 5.321 ( 5.691 -3.495 4.014) 7.792 5.378 ( -1.432 -3.978 7.092) 8.257 5.542 ( 2.902 0.915 -0.667) 3.115 5.642 ( 5.006 0.363 -3.649) 6.206 5.677 ( -3.221 -5.084 -3.163) 6.799 5.796 ( -6.820 -5.157 -3.410) 9.205 6.116 ( -2.447 1.532 -6.365) 6.989 6.255 ( -4.667 3.207 3.315) 6.562 6.371 ( -0.504 4.877 -3.662) 6.119 6.483 ( -2.949 -3.942 8.796) 10.080 6.610 ( 4.615 1.118 -1.311) 4.927 6.855 ( -8.039 -1.576 11.567) 14.174 6.980 ( 2.074 -3.788 5.240) 6.791 7.075 ( -1.000 4.094 -6.036) 7.362 7.187 ( 0.852 9.218 -2.323) 9.545 7.245 ( 0.917 10.248 -2.759) 10.652 7.417 ( 5.452 -4.075 -9.382) 11.591 7.601 ( 0.001 0.204 -2.557) 2.565 7.849 ( -0.293 1.525 -3.092) 3.460 7.889 ( 0.659 -3.703 1.313) 3.984 8.109 ( 3.319 -3.008 3.641) 5.773 8.278 ( -3.527 -3.811 -6.431) 8.266 8.544 ( -2.138 -7.930 -4.886) 9.556 8.854 ( 7.538 -0.855 -2.129) 7.880 9.151 ( 1.434 -7.040 2.382) 7.569 10.307 ( 7.220 -1.920 7.006) 10.242 10.862 ( -3.409 -3.145 9.158) 10.266 10.990 ( 5.224 0.609 -3.472) 6.302 11.449 ( -5.473 -1.712 -7.308) 9.290 11.605 ( 1.239 -7.290 -1.805) 7.612 11.909 ( -4.561 -3.508 13.375) 14.561 12.506 ( -2.933 2.983 -0.893) 4.277 13.068 ( 7.254 -6.300 -16.968) 19.499 13.425 ( 4.295 5.731 -2.292) 7.520 13.613 ( -3.922 2.468 -7.576) 8.881 13.938 ( -1.140 -1.739 -0.867) 2.253 14.341 ( -9.633 6.119 -3.525) 11.944 14.656 ( -0.384 -0.614 0.689) 1.000 14.844 ( -1.323 0.612 -1.862) 2.365 15.144 ( 4.011 -0.753 8.484) 9.415 15.449 ( 4.804 -3.367 -2.225) 6.274 15.777 ( -1.352 -0.081 10.481) 10.568 16.021 ( -4.474 -2.727 13.496) 14.477 16.321 ( 7.511 0.161 -1.472) 7.656 16.493 ( -3.235 -0.452 -3.019) 4.448 24.163 ( 0.922 -0.249 0.093) 0.960 24.293 ( -2.471 -0.547 0.028) 2.531 24.323 ( 2.376 0.634 -0.274) 2.475 24.420 ( -0.072 -0.061 0.005) 0.095 25.561 ( -0.681 -0.396 0.221) 0.818 25.688 ( -1.691 -1.062 0.404) 2.038 25.904 ( -0.865 -1.506 1.520) 2.308 25.973 ( -1.050 -0.420 -0.828) 1.402 26.599 ( -0.705 0.535 11.366) 11.400 26.647 ( -3.107 0.577 13.782) 14.139 27.225 ( 4.412 3.365 -16.152) 17.079 27.310 ( 2.535 9.066 -21.490) 23.462 28.430 ( -1.572 3.374 2.787) 4.650 28.535 ( -3.076 -1.123 0.114) 3.277 29.192 ( 1.978 -4.376 8.837) 10.057 29.328 ( 7.231 -9.300 1.139) 11.835 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -1.377 4.510 -1.277) 4.886 1.333 ( -1.263 3.421 -3.470) 5.034 1.664 ( -7.879 11.281 15.949) 21.065 1.937 ( -5.843 10.770 14.882) 19.277 2.065 ( 7.528 0.022 -6.156) 9.724 2.120 ( 2.729 6.071 -9.432) 11.544 2.403 ( -0.789 -6.818 2.552) 7.323 2.725 ( 0.186 8.069 -1.101) 8.146 2.859 ( 0.757 2.116 9.361) 9.626 3.026 ( 2.435 2.510 -1.394) 3.764 3.086 ( -0.883 3.501 10.653) 11.249 3.290 ( 6.535 2.623 -0.967) 7.107 3.414 ( -1.522 -5.857 2.232) 6.450 3.538 ( 4.456 11.891 7.716) 14.859 3.683 ( -4.671 -10.617 -1.913) 11.756 4.021 ( -0.657 -5.881 1.444) 6.092 4.193 ( -3.684 6.002 8.152) 10.773 4.308 ( 2.553 7.874 -4.620) 9.480 4.393 ( -2.120 10.154 11.762) 15.683 4.547 ( -0.153 4.853 -11.905) 12.857 4.695 ( -3.873 5.598 -7.877) 10.411 4.929 ( -2.347 4.719 2.469) 5.820 5.105 ( 2.359 9.022 -15.749) 18.303 5.309 ( -0.408 5.385 -1.536) 5.615 5.449 ( -4.667 -2.795 7.225) 9.044 5.600 ( 3.713 -5.105 1.480) 6.483 5.633 ( -2.445 0.516 2.192) 3.324 5.780 ( 3.234 -6.053 -6.007) 9.120 5.849 ( -7.166 -6.679 0.316) 9.801 6.062 ( -1.471 -0.231 -6.231) 6.406 6.135 ( -3.242 5.684 3.311) 7.333 6.236 ( -3.706 6.789 -2.812) 8.230 6.502 ( -3.365 0.275 9.128) 9.733 6.654 ( 1.712 -1.762 1.027) 2.663 6.789 ( -7.841 4.143 5.089) 10.224 6.929 ( 0.807 7.990 0.859) 8.076 7.008 ( 2.129 5.984 -7.964) 10.186 7.100 ( -1.214 0.809 0.021) 1.459 7.137 ( 2.673 -1.319 2.928) 4.178 7.499 ( 1.692 2.069 -11.432) 11.741 7.614 ( 5.168 -2.204 -0.837) 5.681 7.751 ( -2.787 3.978 0.261) 4.864 7.937 ( 1.324 -0.806 -3.541) 3.866 8.162 ( -4.049 0.236 -2.747) 4.898 8.382 ( 5.508 -7.375 -2.015) 9.423 8.639 ( -5.749 -4.897 -2.666) 8.008 9.029 ( 13.979 -7.487 1.600) 15.938 9.378 ( 2.663 -13.756 3.386) 14.415 10.438 ( 9.962 -2.160 7.717) 12.785 10.899 ( 0.314 -1.292 2.668) 2.981 11.043 ( 1.247 -2.023 4.443) 5.039 11.478 ( -6.542 -8.323 -10.832) 15.146 11.755 ( 3.174 -5.491 -3.171) 7.091 11.934 ( -9.107 -3.970 10.239) 14.266 12.434 ( -1.862 3.026 9.278) 9.935 13.208 ( 11.075 2.689 -19.775) 22.824 13.363 ( 0.886 -1.003 -3.232) 3.498 13.519 ( -6.280 -0.428 -8.323) 10.435 13.960 ( -0.280 -0.919 -0.808) 1.255 14.126 ( -10.058 5.142 -3.300) 11.768 14.676 ( -0.267 -0.956 2.054) 2.281 14.811 ( -1.803 0.645 -1.844) 2.658 15.201 ( 4.146 0.218 10.245) 11.054 15.549 ( 6.444 -1.405 1.748) 6.823 15.763 ( -4.939 0.092 7.526) 9.003 16.090 ( -1.751 -6.338 7.945) 10.313 16.353 ( 5.365 2.723 0.010) 6.016 16.508 ( -0.497 -3.259 -1.783) 3.748 24.184 ( 1.539 -0.776 0.350) 1.758 24.285 ( -2.378 -0.862 -0.302) 2.547 24.326 ( 2.297 1.122 0.129) 2.560 24.415 ( -0.410 0.448 -0.184) 0.635 25.560 ( -1.597 -0.355 1.557) 2.259 25.695 ( -3.635 -1.874 -0.601) 4.133 25.926 ( -0.768 -1.408 0.255) 1.625 25.976 ( -2.248 -1.127 0.880) 2.665 26.588 ( -0.057 1.318 7.260) 7.379 26.624 ( -2.913 0.350 11.420) 11.791 27.087 ( 2.650 13.501 -18.406) 22.980 27.139 ( 4.840 7.732 -13.260) 16.095 28.352 ( -1.886 3.246 4.291) 5.701 28.526 ( -2.951 -0.914 -2.517) 3.985 29.390 ( 4.770 -11.801 12.948) 18.157 29.617 ( 9.582 -11.993 -1.025) 15.385 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -1.819 5.026 8.462) 10.009 1.218 ( -1.144 10.600 7.396) 12.976 1.432 ( -11.099 0.986 12.165) 16.497 1.684 ( -8.047 11.145 14.536) 20.006 2.038 ( 14.144 5.263 -18.152) 23.606 2.122 ( 2.463 1.682 -7.752) 8.306 2.512 ( -7.520 5.497 33.555) 34.824 2.643 ( 3.341 -9.536 -3.131) 10.578 2.740 ( 2.647 6.059 7.187) 9.766 3.007 ( 3.532 0.699 1.453) 3.882 3.065 ( -0.924 3.977 7.534) 8.569 3.315 ( 3.252 -1.637 0.123) 3.643 3.386 ( 0.862 -1.281 0.411) 1.598 3.652 ( 7.355 -6.202 1.497) 9.737 3.819 ( -5.293 -7.343 0.119) 9.053 3.985 ( -5.350 8.376 9.600) 13.819 4.078 ( -1.603 3.197 0.667) 3.638 4.131 ( 1.766 8.905 -5.748) 10.746 4.282 ( 1.146 4.885 6.622) 8.308 4.445 ( -1.560 4.262 -7.391) 8.673 4.590 ( -1.427 -1.059 -18.355) 18.441 4.828 ( 6.144 8.734 -4.690) 11.663 4.901 ( -5.358 5.396 -10.349) 12.842 5.193 ( -0.154 3.915 -7.830) 8.755 5.518 ( -3.705 -5.790 11.656) 13.531 5.629 ( -1.788 -1.920 4.748) 5.424 5.707 ( -1.237 -3.637 0.294) 3.853 5.877 ( -2.557 -3.177 -1.113) 4.227 5.920 ( -6.143 -7.242 2.930) 9.938 6.002 ( -3.479 6.677 -3.469) 8.290 6.042 ( 0.247 3.945 -0.406) 3.973 6.166 ( 2.593 -7.096 -5.066) 9.096 6.405 ( -2.421 8.801 4.884) 10.352 6.627 ( 0.795 9.646 -2.603) 10.022 6.662 ( -4.937 -0.576 3.335) 5.986 6.824 ( 1.071 4.721 -2.649) 5.518 6.876 ( -0.210 5.709 2.644) 6.295 7.088 ( 1.263 -0.955 -1.136) 1.949 7.214 ( 2.489 0.412 3.140) 4.028 7.377 ( -2.081 3.146 -6.458) 7.479 7.680 ( -2.910 1.454 4.550) 5.593 7.752 ( 8.194 -3.425 -6.915) 11.255 7.952 ( 0.659 -0.626 -4.182) 4.280 8.068 ( -3.384 3.846 -6.100) 7.966 8.557 ( 2.184 -5.313 0.442) 5.761 8.663 ( -1.866 -2.353 -4.644) 5.530 9.282 ( 10.639 -5.091 8.666) 14.636 9.725 ( 1.746 -18.031 -1.003) 18.143 10.571 ( 9.618 -1.669 6.830) 11.914 10.921 ( 1.949 0.075 -4.142) 4.578 11.054 ( -7.058 0.134 12.721) 14.549 11.612 ( 0.716 -8.592 -12.999) 15.599 11.836 ( 3.010 -1.028 -2.819) 4.250 11.959 ( -8.369 -5.634 2.239) 10.334 12.362 ( -3.855 4.143 19.748) 20.543 13.083 ( 7.978 12.135 -10.386) 17.854 13.403 ( -2.549 -2.019 -3.602) 4.853 13.591 ( -3.283 -9.840 -17.152) 20.045 13.931 ( 0.447 2.574 -0.342) 2.635 14.036 ( -3.863 -1.820 -1.567) 4.548 14.684 ( -0.706 -0.007 3.373) 3.446 14.786 ( -0.173 0.824 -1.276) 1.529 15.236 ( 4.096 1.028 12.515) 13.209 15.609 ( 5.396 1.677 12.528) 13.743 15.717 ( -6.340 -0.769 -2.308) 6.791 16.241 ( -2.164 -8.430 -6.145) 10.654 16.332 ( 2.358 1.200 4.467) 5.192 16.577 ( 2.391 -2.206 -2.490) 4.096 24.217 ( 1.595 -1.053 0.564) 1.992 24.284 ( -2.105 -0.975 -0.826) 2.462 24.324 ( 2.492 1.114 0.941) 2.887 24.393 ( -1.084 1.144 -0.381) 1.622 25.550 ( -2.335 -0.061 3.654) 4.336 25.684 ( -4.635 -0.914 -2.600) 5.392 25.952 ( 0.715 -1.410 0.194) 1.593 25.970 ( -2.877 -0.235 1.755) 3.378 26.579 ( 0.693 0.463 4.388) 4.467 26.624 ( -1.315 -1.121 6.432) 6.660 26.820 ( 2.811 12.736 -10.524) 16.759 26.991 ( 3.414 9.264 -9.628) 13.791 28.293 ( -1.305 1.860 5.565) 6.011 28.515 ( -1.687 -0.560 -4.306) 4.659 29.724 ( 4.836 -14.445 8.366) 17.380 29.918 ( 6.942 -10.793 -0.680) 12.851 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -4.743 -0.000 23.066) 23.548 1.159 ( 3.861 0.000 5.955) 7.097 1.288 ( 3.592 0.000 -0.228) 3.599 1.406 ( -0.475 -0.000 14.665) 14.673 2.090 ( 3.212 0.000 -12.867) 13.262 2.374 ( 13.726 0.000 -13.711) 19.401 2.484 ( -3.880 -0.000 26.043) 26.331 2.686 ( -7.386 -0.000 -3.820) 8.316 2.807 ( -0.016 -0.000 17.055) 17.055 2.933 ( -6.165 -0.000 6.970) 9.306 3.130 ( 5.651 0.000 -3.361) 6.576 3.317 ( -7.448 -0.000 -1.788) 7.660 3.411 ( 0.428 0.000 1.699) 1.752 3.672 ( -7.249 -0.000 5.747) 9.251 3.813 ( 0.442 0.000 12.452) 12.460 3.932 ( -5.450 -0.000 4.540) 7.094 3.980 ( -2.859 -0.000 -8.949) 9.395 3.991 ( 3.877 0.000 0.124) 3.879 4.343 ( 8.790 0.000 -4.360) 9.812 4.376 ( 2.998 0.000 -10.928) 11.332 4.559 ( 2.034 0.000 -21.814) 21.908 4.650 ( -2.948 -0.000 -2.406) 3.805 5.142 ( 16.608 0.000 -4.825) 17.294 5.153 ( 1.282 0.000 -9.912) 9.994 5.510 ( -3.405 -0.000 12.197) 12.663 5.672 ( -1.011 -0.000 3.685) 3.821 5.673 ( 1.152 0.000 6.955) 7.050 5.840 ( -1.213 -0.000 7.748) 7.843 5.870 ( 3.761 0.000 -0.643) 3.816 6.038 ( 0.901 0.000 -5.322) 5.398 6.113 ( 3.532 0.000 3.419) 4.916 6.275 ( 2.024 0.000 -0.905) 2.217 6.392 ( 3.458 0.000 -9.471) 10.083 6.560 ( 14.164 0.000 -10.255) 17.487 6.604 ( -0.430 -0.000 2.549) 2.585 6.780 ( -0.092 -0.000 8.586) 8.587 6.921 ( 4.931 0.000 5.947) 7.725 7.147 ( -0.807 -0.000 0.422) 0.910 7.227 ( 1.557 0.000 0.707) 1.710 7.336 ( -0.298 -0.000 -10.513) 10.518 7.510 ( -7.881 -0.000 4.658) 9.154 7.870 ( -3.205 -0.000 -4.203) 5.286 7.998 ( 7.880 0.000 -2.600) 8.298 8.004 ( 0.445 0.000 -8.068) 8.081 8.561 ( -1.885 -0.000 0.029) 1.886 8.718 ( 3.643 0.000 -4.388) 5.703 9.430 ( -7.718 -0.000 12.080) 14.335 9.542 ( -26.149 -0.000 -3.827) 26.427 10.615 ( -8.507 -0.000 9.652) 12.866 10.820 ( -6.795 -0.000 -9.648) 11.801 11.017 ( 2.105 0.000 14.316) 14.470 11.894 ( 13.189 0.000 -18.416) 22.651 11.915 ( 3.777 0.000 -4.784) 6.095 11.962 ( 2.456 0.000 4.222) 4.885 12.209 ( -8.054 -0.000 24.073) 25.385 13.078 ( 3.510 0.000 -4.734) 5.893 13.505 ( 8.209 0.000 -2.108) 8.476 13.536 ( -2.994 -0.000 -16.036) 16.313 14.034 ( 6.585 0.000 2.094) 6.910 14.038 ( 4.524 0.000 -8.702) 9.807 14.693 ( 0.876 0.000 2.970) 3.096 14.826 ( 3.434 0.000 -1.794) 3.874 15.348 ( -0.376 -0.000 13.195) 13.200 15.485 ( -8.719 -0.000 0.371) 8.727 15.792 ( 3.858 0.000 10.524) 11.209 16.075 ( -7.693 -0.000 -5.760) 9.610 16.362 ( -15.265 -0.000 2.519) 15.471 16.537 ( 5.194 0.000 -3.608) 6.324 24.234 ( -2.222 -0.000 -0.617) 2.306 24.266 ( 0.639 0.000 1.237) 1.392 24.333 ( -1.660 -0.000 -1.002) 1.939 24.380 ( 1.860 0.000 0.492) 1.924 25.558 ( 2.941 0.000 4.747) 5.584 25.773 ( 7.424 0.000 -4.959) 8.928 25.879 ( -3.678 -0.000 1.679) 4.043 26.047 ( 5.830 0.000 1.310) 5.976 26.602 ( -0.120 -0.000 5.151) 5.153 26.666 ( 1.955 0.000 0.849) 2.131 26.791 ( 3.836 0.000 -10.400) 11.085 26.856 ( 0.422 0.000 -7.626) 7.638 28.305 ( 1.933 0.000 6.806) 7.076 28.519 ( 3.014 0.000 -5.123) 5.944 29.692 ( -28.871 -0.000 9.665) 30.446 29.881 ( -7.650 -0.000 3.214) 8.298 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -2.317 -10.903 7.781) 13.594 1.165 ( 1.430 -0.365 -1.557) 2.145 1.318 ( 9.005 -1.204 6.511) 11.177 1.674 ( 7.160 -14.831 14.670) 22.055 2.085 ( 0.015 2.670 -5.925) 6.499 2.426 ( -0.870 1.181 -5.086) 5.293 2.494 ( -4.976 -2.917 3.214) 6.603 2.625 ( 1.349 -2.818 -14.482) 14.815 2.885 ( 2.315 -4.691 15.830) 16.672 2.929 ( -5.390 -2.787 16.045) 17.154 3.183 ( -5.559 -4.961 3.639) 8.292 3.245 ( 2.340 2.452 -7.003) 7.780 3.336 ( -3.636 5.328 -2.308) 6.851 3.589 ( -0.005 4.124 7.477) 8.539 3.809 ( -5.670 1.440 7.849) 9.789 3.961 ( -0.084 -1.795 -3.681) 4.096 4.053 ( -2.638 -8.577 7.211) 11.512 4.065 ( -0.962 -9.075 -2.827) 9.554 4.324 ( 5.129 2.735 -1.660) 6.045 4.487 ( 3.349 -1.790 -5.437) 6.632 4.635 ( 3.734 -9.787 -24.234) 26.401 4.693 ( 2.321 -5.110 3.270) 6.496 5.100 ( 1.645 2.335 -7.197) 7.743 5.282 ( 3.171 -2.454 0.909) 4.112 5.502 ( 4.108 1.911 6.293) 7.755 5.626 ( -1.625 3.195 6.537) 7.455 5.728 ( 0.171 -2.905 4.480) 5.342 5.780 ( -1.487 5.801 3.917) 7.156 5.886 ( 7.753 7.281 -3.207) 11.109 6.068 ( 4.633 -5.451 -0.711) 7.189 6.133 ( 6.339 0.361 0.940) 6.419 6.324 ( 6.203 1.820 -7.159) 9.645 6.350 ( -1.540 -2.405 0.549) 2.908 6.556 ( 1.271 3.034 2.949) 4.418 6.803 ( 2.361 -2.779 7.406) 8.255 6.860 ( 6.512 -8.294 -4.459) 11.449 7.043 ( 3.526 -6.630 -1.710) 7.701 7.133 ( 0.296 -0.442 1.225) 1.336 7.204 ( -2.151 2.925 -4.398) 5.703 7.335 ( 1.192 -3.391 -0.667) 3.655 7.518 ( -7.026 -5.181 -3.700) 9.482 7.832 ( -3.321 0.783 -4.258) 5.457 7.958 ( -1.135 3.299 -6.171) 7.089 8.058 ( 7.510 0.586 1.120) 7.616 8.542 ( 1.013 1.974 -2.697) 3.493 8.717 ( 3.670 2.087 -3.343) 5.385 9.174 ( -22.107 11.747 -0.458) 25.038 9.353 ( -11.437 0.716 7.275) 13.574 10.544 ( -10.086 1.672 7.817) 12.870 10.758 ( -7.698 -1.707 -8.299) 11.447 11.018 ( 2.581 3.088 13.355) 13.948 11.773 ( 2.056 9.120 0.695) 9.374 11.895 ( 11.022 8.641 -9.984) 17.199 12.075 ( 3.195 0.396 3.808) 4.986 12.270 ( -2.866 -9.683 11.303) 15.157 13.144 ( -2.287 -4.328 -11.354) 12.365 13.385 ( -0.546 8.342 -6.437) 10.551 13.556 ( 7.498 1.752 -5.742) 9.605 14.044 ( 6.397 3.208 -1.063) 7.235 14.157 ( 9.595 -4.998 -7.196) 12.993 14.718 ( 2.032 -0.871 2.304) 3.193 14.843 ( 3.527 1.223 -2.684) 4.597 15.327 ( -4.823 1.710 10.622) 11.790 15.421 ( -8.385 -0.859 -1.454) 8.554 15.823 ( 2.032 1.153 11.864) 12.091 16.036 ( -4.799 -2.750 -2.370) 6.018 16.174 ( -11.487 4.997 9.443) 15.688 16.603 ( 2.518 -2.046 -5.506) 6.391 24.202 ( -1.462 1.007 -0.174) 1.784 24.284 ( 0.099 -1.010 0.630) 1.195 24.314 ( -1.384 0.390 -0.787) 1.640 24.398 ( 0.917 -0.343 0.469) 1.085 25.595 ( 4.202 0.429 4.283) 6.015 25.735 ( 2.285 4.592 -1.069) 5.240 25.886 ( -1.825 -0.735 0.044) 1.968 26.123 ( 8.534 -0.641 0.815) 8.597 26.602 ( -1.110 6.316 1.107) 6.508 26.614 ( -0.178 0.377 5.029) 5.046 26.810 ( -0.005 -9.039 -7.372) 11.664 27.084 ( 4.058 -13.114 -15.875) 20.987 28.354 ( 3.110 -1.843 6.654) 7.572 28.538 ( 4.364 0.744 -4.569) 6.362 29.362 ( -24.030 7.991 16.143) 30.032 29.740 ( -11.145 6.193 0.493) 12.759 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.273 -3.431 -3.071) 4.613 1.298 ( 2.588 -5.098 0.521) 5.741 1.515 ( 3.961 -6.554 8.698) 11.589 1.967 ( 2.904 0.347 0.573) 2.980 2.050 ( 5.236 -9.707 8.273) 13.787 2.375 ( -6.879 -2.607 6.208) 9.626 2.563 ( 0.671 -5.053 -4.883) 7.059 2.711 ( 0.211 -4.923 -15.543) 16.306 2.869 ( -8.948 0.951 0.743) 9.029 3.014 ( -0.996 0.491 13.346) 13.392 3.166 ( -2.361 4.814 -9.042) 10.512 3.229 ( 5.593 1.025 -4.117) 7.020 3.320 ( -2.847 -5.089 7.230) 9.288 3.571 ( 3.281 -1.023 3.743) 5.081 3.752 ( -4.971 -1.304 11.495) 12.591 3.935 ( -1.755 3.825 -3.378) 5.396 4.201 ( -1.049 -11.044 2.306) 11.331 4.267 ( 0.618 -7.385 2.368) 7.780 4.365 ( 2.447 -3.900 4.229) 6.252 4.596 ( 4.442 -7.041 -3.441) 9.009 4.784 ( -0.620 -7.328 -1.830) 7.578 4.885 ( 4.144 -8.276 -10.064) 13.673 5.110 ( 1.615 -3.725 -5.349) 6.716 5.314 ( -4.043 -1.692 5.373) 6.934 5.513 ( 6.547 4.401 5.267) 9.485 5.533 ( -3.550 4.126 6.233) 8.275 5.628 ( 1.188 7.305 1.107) 7.484 5.782 ( 2.408 1.812 2.523) 3.931 5.839 ( 4.461 0.383 -5.593) 7.164 6.127 ( 4.876 3.472 0.563) 6.012 6.233 ( -0.653 -2.169 -4.649) 5.171 6.331 ( 3.533 -3.021 -0.444) 4.670 6.412 ( 4.647 -0.499 -0.030) 4.674 6.584 ( 1.130 -4.272 7.601) 8.792 6.841 ( 1.425 0.427 6.102) 6.281 6.928 ( -2.796 2.174 3.114) 4.716 7.140 ( 1.524 -2.425 -3.758) 4.725 7.201 ( 1.083 -4.098 -1.804) 4.606 7.250 ( 3.851 -6.991 -8.851) 11.918 7.426 ( 0.444 -4.677 2.688) 5.413 7.538 ( -5.442 -3.333 -8.986) 11.021 7.747 ( -3.286 4.535 -2.179) 6.009 7.885 ( -1.455 1.321 -1.803) 2.667 8.116 ( 7.006 0.282 1.803) 7.240 8.442 ( 4.164 10.108 -5.562) 12.265 8.724 ( 1.347 3.066 -3.202) 4.633 8.804 ( -14.238 5.152 -1.843) 15.253 9.234 ( -9.302 2.799 2.512) 10.033 10.396 ( -8.451 4.878 5.425) 11.164 10.727 ( -8.722 -2.929 -3.441) 9.823 11.007 ( 3.413 1.856 9.912) 10.646 11.630 ( 1.650 7.561 4.080) 8.748 11.784 ( 10.769 10.454 -11.904) 19.157 12.009 ( -4.036 5.553 14.658) 16.186 12.478 ( 3.967 -8.506 -1.350) 9.482 13.037 ( -6.031 6.481 -17.750) 19.835 13.369 ( 2.394 -4.068 1.381) 4.918 13.586 ( 5.356 -0.277 -8.002) 9.633 14.022 ( 6.587 4.600 -0.520) 8.051 14.341 ( 8.795 -5.364 -6.075) 11.959 14.752 ( 1.258 -0.119 -0.373) 1.317 14.840 ( 4.958 1.942 -1.928) 5.663 15.240 ( -7.299 2.481 8.702) 11.626 15.355 ( -7.814 -0.009 -2.983) 8.364 15.816 ( 0.395 1.762 11.100) 11.245 16.033 ( -8.136 2.086 12.175) 14.791 16.087 ( -1.312 -4.716 2.037) 5.302 16.627 ( 1.587 0.715 -6.104) 6.347 24.176 ( -0.489 0.694 -0.165) 0.864 24.289 ( -3.042 -0.607 -0.502) 3.143 24.311 ( 2.006 -0.031 0.381) 2.042 24.408 ( -0.119 -0.249 0.456) 0.533 25.605 ( 2.816 2.154 1.009) 3.686 25.693 ( 1.611 1.589 1.905) 2.958 25.873 ( -1.247 0.206 1.077) 1.660 26.163 ( 7.104 4.718 -2.063) 8.774 26.507 ( -3.411 0.004 7.031) 7.815 26.638 ( -0.940 -1.165 10.243) 10.352 26.988 ( 0.104 -9.699 -11.946) 15.388 27.317 ( 3.400 -9.394 -20.423) 22.735 28.436 ( 3.345 -2.409 5.259) 6.682 28.554 ( 4.966 1.371 -2.868) 5.896 29.089 ( -14.991 3.863 15.060) 21.597 29.493 ( -10.320 8.441 -0.777) 13.355 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -0.706 -2.827 0.307) 2.930 1.401 ( 2.896 -2.688 1.853) 4.364 1.610 ( 3.875 -2.068 2.748) 5.181 1.919 ( -5.996 -0.686 1.970) 6.348 2.389 ( 6.853 -7.992 -0.610) 10.545 2.433 ( -1.304 -7.256 11.547) 13.700 2.631 ( -0.892 -0.922 -0.816) 1.521 2.705 ( -5.314 1.349 -1.525) 5.691 2.800 ( -2.343 -2.713 -5.421) 6.498 2.958 ( -2.780 4.351 5.665) 7.665 3.072 ( 2.471 2.314 -7.742) 8.449 3.221 ( 6.826 5.228 -2.135) 8.860 3.317 ( -5.670 -0.220 5.126) 7.647 3.671 ( 1.160 -5.952 -0.815) 6.119 3.760 ( -1.115 5.754 -4.147) 7.180 3.855 ( -2.863 -3.591 8.075) 9.290 4.324 ( 4.119 0.219 -3.558) 5.448 4.435 ( -4.019 -1.921 7.941) 9.105 4.501 ( 2.670 -12.531 1.669) 12.920 4.821 ( 7.513 -8.525 3.418) 11.866 4.862 ( -2.301 -5.008 2.149) 5.916 5.085 ( -1.796 -10.587 -7.174) 12.914 5.204 ( 0.058 -4.519 0.399) 4.536 5.308 ( 0.664 1.933 2.565) 3.280 5.424 ( -0.028 5.012 2.367) 5.542 5.471 ( -2.907 -1.163 5.598) 6.415 5.547 ( 3.563 6.429 0.845) 7.399 5.713 ( 0.391 4.704 -0.187) 4.724 5.883 ( 5.568 2.686 -3.870) 7.293 6.085 ( 0.966 0.667 -2.070) 2.380 6.228 ( -5.676 -2.566 1.918) 6.518 6.395 ( 1.976 0.505 1.582) 2.581 6.470 ( 3.907 -0.861 -6.002) 7.213 6.685 ( 1.405 -2.434 3.617) 4.581 6.841 ( -8.492 1.422 9.408) 12.753 6.868 ( 5.511 -0.204 4.011) 6.819 7.178 ( -0.374 -0.433 -7.240) 7.263 7.271 ( -0.074 -3.181 -3.498) 4.728 7.361 ( 0.794 -2.154 -4.223) 4.806 7.514 ( 0.833 -2.964 0.562) 3.129 7.543 ( -0.788 -1.019 -8.297) 8.397 7.667 ( 0.641 0.364 2.190) 2.310 7.875 ( 0.246 -0.542 -0.104) 0.604 8.161 ( 1.884 -0.325 0.316) 1.938 8.268 ( 4.944 10.099 -1.473) 11.340 8.517 ( -5.192 6.042 -8.221) 11.448 8.803 ( -0.013 -2.197 -2.897) 3.636 9.106 ( -6.203 3.018 0.643) 6.928 10.280 ( -2.622 1.722 5.226) 6.095 10.708 ( -9.411 -3.584 0.474) 10.081 11.030 ( 3.243 0.128 6.151) 6.955 11.534 ( 3.412 4.689 4.523) 7.354 11.654 ( 6.991 10.004 -12.330) 17.349 11.883 ( -6.172 3.447 15.088) 16.662 12.603 ( 2.622 -0.383 -5.389) 6.005 12.903 ( -1.240 -0.272 -13.835) 13.893 13.472 ( 1.474 -3.776 -0.405) 4.074 13.630 ( 2.541 -1.175 -8.662) 9.103 13.989 ( 6.775 4.545 -0.649) 8.184 14.455 ( 1.468 -1.225 -2.492) 3.141 14.712 ( -2.438 2.814 -2.769) 4.640 14.870 ( 6.291 0.813 -0.712) 6.383 15.149 ( -5.222 1.514 6.896) 8.781 15.310 ( -4.174 -2.348 -3.423) 5.887 15.804 ( 0.475 1.247 11.463) 11.541 15.974 ( -5.736 -0.131 12.488) 13.742 16.182 ( 0.106 -5.212 2.648) 5.847 16.592 ( 0.911 3.100 -5.993) 6.809 24.166 ( 0.614 0.345 -0.196) 0.731 24.273 ( -2.878 -0.554 -0.157) 2.935 24.331 ( 2.026 -0.090 0.099) 2.030 24.410 ( -0.718 -0.322 0.280) 0.835 25.584 ( 1.697 1.733 0.010) 2.425 25.683 ( -0.013 0.746 1.131) 1.355 25.868 ( -0.321 -0.237 2.059) 2.097 26.083 ( 2.753 6.172 -2.854) 7.336 26.537 ( -2.485 -3.155 12.555) 13.181 26.660 ( -1.252 -0.396 12.752) 12.820 27.139 ( 1.264 -6.971 -15.520) 17.060 27.440 ( 2.761 -3.240 -22.187) 22.591 28.492 ( 0.641 -0.496 3.673) 3.761 28.558 ( 3.799 2.237 -0.365) 4.424 29.012 ( -5.218 -3.496 9.463) 11.358 29.277 ( -6.843 5.273 1.132) 8.713 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -0.998 1.965 3.202) 3.888 1.439 ( 0.465 0.798 0.381) 0.999 1.743 ( 8.598 -5.707 -2.261) 10.564 1.925 ( -6.050 -4.824 3.181) 8.366 2.255 ( -10.076 9.767 5.098) 14.929 2.504 ( -0.875 6.765 -7.705) 10.291 2.581 ( -2.633 4.691 17.337) 18.152 2.807 ( -0.021 1.501 -2.192) 2.657 2.853 ( 7.385 -2.994 -4.046) 8.937 2.918 ( 2.682 -11.727 0.624) 12.045 3.078 ( 3.106 2.974 -3.090) 5.295 3.174 ( 1.300 0.037 0.125) 1.307 3.338 ( -5.805 -5.906 5.574) 9.982 3.586 ( 0.222 8.411 -4.000) 9.317 3.795 ( 5.376 -2.977 -1.311) 6.283 3.922 ( -6.021 -4.326 5.723) 9.366 4.299 ( 2.121 4.773 -2.193) 5.664 4.417 ( -1.165 1.188 8.809) 8.964 4.646 ( -2.200 -2.025 -1.593) 3.388 4.832 ( -3.945 2.798 -1.026) 4.945 5.002 ( 4.449 5.181 3.240) 7.559 5.157 ( 0.404 2.690 7.353) 7.840 5.274 ( 1.786 -3.599 -3.944) 5.630 5.325 ( -4.054 -2.247 6.553) 8.027 5.373 ( 5.742 3.803 -4.983) 8.501 5.465 ( -0.584 -4.517 1.413) 4.769 5.550 ( -0.789 -5.629 1.289) 5.829 5.633 ( -3.302 2.042 0.230) 3.889 5.825 ( 6.776 6.128 -3.266) 9.702 6.091 ( -3.730 -0.501 -6.990) 7.939 6.240 ( -3.983 -1.755 2.494) 5.017 6.404 ( -0.627 -1.368 5.623) 5.821 6.455 ( 0.629 3.567 -6.133) 7.122 6.701 ( 4.710 2.606 -1.804) 5.677 6.754 ( -10.266 -0.866 10.684) 14.843 6.951 ( 2.882 -2.412 5.733) 6.855 7.133 ( 0.926 2.800 -6.302) 6.958 7.330 ( 1.618 3.158 -4.254) 5.539 7.359 ( 2.549 -3.371 -5.101) 6.624 7.462 ( -0.259 8.562 -7.541) 11.412 7.571 ( -0.315 -2.595 0.837) 2.745 7.764 ( 2.919 -6.675 2.134) 7.591 7.886 ( -0.516 0.464 0.563) 0.894 8.132 ( -8.620 -0.460 -0.867) 8.676 8.189 ( 7.560 2.785 0.859) 8.103 8.443 ( 0.361 -0.617 -7.685) 7.718 8.866 ( 4.588 -3.255 -3.241) 6.492 9.044 ( -4.390 -2.439 0.587) 5.057 10.313 ( 4.004 -3.380 6.365) 8.245 10.710 ( -8.872 -4.737 3.773) 10.742 11.063 ( 3.416 -0.268 1.516) 3.747 11.481 ( 0.409 8.805 -9.200) 12.741 11.548 ( 5.279 -1.408 3.940) 6.736 11.825 ( -7.083 -1.162 9.690) 12.059 12.555 ( 0.235 3.771 -2.526) 4.545 12.974 ( 3.320 -5.844 -14.380) 15.873 13.520 ( 0.944 0.010 -1.617) 1.872 13.628 ( 0.443 1.999 -8.277) 8.526 13.971 ( 6.842 3.259 -0.605) 7.603 14.370 ( -9.150 5.453 -2.761) 11.004 14.659 ( 0.535 0.969 0.578) 1.249 14.868 ( 0.875 2.528 -3.125) 4.114 15.142 ( -0.164 -2.283 7.407) 7.753 15.377 ( 1.061 -5.732 -3.425) 6.761 15.800 ( -0.212 1.137 12.237) 12.292 15.960 ( -4.056 -1.301 12.043) 12.774 16.295 ( 1.297 -5.601 1.371) 5.910 16.519 ( 0.201 3.979 -4.763) 6.210 24.173 ( 1.607 0.048 -0.049) 1.608 24.259 ( -2.797 -0.576 0.024) 2.856 24.348 ( 1.944 0.106 -0.094) 1.949 24.410 ( -0.938 -0.465 -0.021) 1.048 25.572 ( 1.495 0.989 0.086) 1.794 25.664 ( -2.097 0.325 0.298) 2.143 25.880 ( -0.003 -0.762 2.169) 2.299 26.000 ( 0.643 3.309 -1.804) 3.823 26.587 ( -1.961 -2.005 13.743) 14.027 26.658 ( -2.075 0.890 13.477) 13.665 27.232 ( 2.401 -2.807 -16.716) 17.119 27.436 ( 3.413 3.177 -22.923) 23.392 28.481 ( -0.822 1.606 2.023) 2.711 28.526 ( 0.131 2.594 1.414) 2.957 29.114 ( -0.343 -5.843 5.796) 8.238 29.218 ( -0.602 -4.299 3.625) 5.655 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 1.029 2.752 0.921) 3.080 1.379 ( -2.336 3.908 -2.881) 5.388 1.866 ( 3.349 7.922 6.796) 10.962 1.985 ( -4.670 -5.670 0.470) 7.361 2.013 ( -6.316 2.056 3.133) 7.344 2.311 ( 2.728 9.200 3.117) 10.089 2.433 ( 0.764 8.582 2.497) 8.970 2.824 ( 1.731 -0.798 2.241) 2.941 2.930 ( 0.668 3.330 -4.788) 5.870 2.964 ( 2.012 -1.178 -0.086) 2.333 3.199 ( -3.393 0.463 5.430) 6.420 3.238 ( 4.921 -10.572 -1.920) 11.818 3.430 ( -3.007 -5.968 2.557) 7.155 3.458 ( 3.304 3.756 -3.754) 6.254 3.825 ( -1.023 7.133 11.007) 13.156 3.931 ( 0.419 -1.743 1.422) 2.288 4.211 ( -1.619 2.279 1.647) 3.244 4.409 ( 2.649 2.095 4.666) 5.760 4.557 ( -4.951 6.645 6.772) 10.702 4.676 ( -2.656 8.952 -8.876) 12.883 4.840 ( 0.973 10.012 -2.099) 10.276 5.035 ( -0.648 8.264 3.825) 9.129 5.262 ( 4.952 5.818 -7.502) 10.708 5.318 ( -4.885 -1.462 6.791) 8.492 5.423 ( 1.023 0.053 -3.159) 3.321 5.557 ( 0.023 -1.697 2.514) 3.033 5.617 ( -0.165 -1.196 -3.266) 3.482 5.650 ( -4.549 -8.138 -0.941) 9.371 5.804 ( 7.997 2.002 -4.105) 9.209 6.027 ( -5.326 0.218 -4.909) 7.246 6.213 ( -0.546 3.027 1.150) 3.283 6.339 ( -1.981 6.191 -2.265) 6.884 6.433 ( -4.767 -2.520 7.925) 9.586 6.695 ( 4.828 2.320 1.603) 5.592 6.743 ( -5.906 -2.975 6.206) 9.069 7.003 ( -1.006 -1.417 2.438) 2.994 7.092 ( 3.782 3.244 -3.940) 6.352 7.218 ( 1.810 11.025 -4.754) 12.142 7.237 ( 0.743 7.728 0.112) 7.765 7.482 ( 4.295 -4.615 -15.688) 16.907 7.618 ( 2.057 -1.861 4.405) 5.205 7.819 ( -2.461 4.814 0.156) 5.409 7.895 ( 0.690 -3.946 0.259) 4.014 8.095 ( -6.191 -2.113 -3.253) 7.306 8.288 ( 4.268 -7.033 1.758) 8.413 8.478 ( -1.877 -4.262 -4.955) 6.800 9.004 ( 8.111 -6.251 -0.094) 10.241 9.141 ( -2.567 -9.427 -0.036) 9.770 10.465 ( 7.646 -5.272 8.317) 12.467 10.736 ( -9.944 -5.207 8.075) 13.828 11.140 ( 9.803 -2.468 -5.792) 11.650 11.313 ( -6.496 3.558 -8.943) 11.611 11.683 ( 6.544 -5.879 3.255) 9.380 11.802 ( -9.890 -2.562 7.338) 12.579 12.493 ( 0.489 3.201 5.261) 6.177 13.116 ( 3.163 -8.009 -18.142) 20.082 13.484 ( -1.723 3.017 -2.217) 4.122 13.540 ( 2.302 6.771 -8.117) 10.818 13.984 ( 6.544 1.520 -0.920) 6.781 14.153 ( -9.574 6.604 -3.352) 12.104 14.665 ( 0.704 -0.377 1.647) 1.830 14.815 ( -0.927 1.700 -3.297) 3.824 15.215 ( 1.318 -2.748 8.957) 9.461 15.506 ( 2.171 -5.969 -3.613) 7.307 15.773 ( -2.737 2.184 13.386) 13.836 15.990 ( -1.862 -3.212 10.121) 10.781 16.407 ( -4.291 -3.660 -0.183) 5.643 16.451 ( 5.457 1.707 -2.096) 6.090 24.191 ( 2.066 -0.212 0.308) 2.099 24.248 ( -2.563 -0.731 -0.186) 2.672 24.360 ( 1.839 0.447 0.163) 1.899 24.409 ( -1.148 -0.296 -0.437) 1.263 25.568 ( 1.206 0.934 0.788) 1.717 25.642 ( -3.077 -0.574 -0.209) 3.137 25.900 ( -0.324 -1.080 1.898) 2.207 25.966 ( 0.452 0.678 -0.915) 1.225 26.613 ( -1.592 -0.530 12.859) 12.968 26.625 ( -2.764 1.827 11.490) 11.958 27.223 ( 0.552 3.903 -14.936) 15.447 27.343 ( 6.789 7.199 -23.010) 25.047 28.420 ( -0.213 4.132 2.306) 4.737 28.493 ( -1.667 0.036 -0.082) 1.669 29.226 ( -1.384 -7.649 11.356) 13.761 29.426 ( 3.517 -12.617 -0.212) 13.099 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 1.085 5.884 1.466) 6.160 1.292 ( -2.071 1.342 -4.632) 5.248 1.563 ( -7.404 16.848 15.753) 24.224 1.868 ( -5.838 9.614 13.095) 17.262 2.079 ( -0.501 -3.780 -3.646) 5.276 2.280 ( 13.494 6.939 -14.968) 21.313 2.415 ( 2.087 -8.811 8.239) 12.242 2.721 ( -0.396 9.898 -0.762) 9.935 2.898 ( 0.973 2.592 8.805) 9.231 3.071 ( 1.964 2.725 0.279) 3.371 3.083 ( -1.879 -0.381 9.257) 9.453 3.359 ( -1.365 3.181 6.495) 7.360 3.393 ( 0.993 0.277 -4.698) 4.810 3.551 ( -6.604 -4.707 0.700) 8.140 3.714 ( 8.878 -0.823 2.367) 9.225 3.984 ( -3.624 -3.137 5.728) 7.469 4.174 ( -0.837 5.288 6.521) 8.437 4.307 ( -4.150 5.367 9.682) 11.822 4.410 ( 1.055 9.980 2.591) 10.365 4.511 ( 1.003 3.908 -16.769) 17.248 4.663 ( 3.568 8.229 -9.401) 12.994 4.896 ( -2.044 4.682 0.813) 5.173 5.128 ( 3.315 11.877 -12.990) 17.911 5.261 ( -0.882 4.422 -8.033) 9.212 5.398 ( -3.234 -4.142 9.640) 10.979 5.599 ( -1.658 -0.876 5.213) 5.540 5.648 ( 1.426 -2.866 -1.477) 3.526 5.749 ( -4.054 -5.892 1.789) 7.372 5.834 ( 2.176 0.194 -4.708) 5.191 6.021 ( -0.643 -1.328 -5.020) 5.233 6.138 ( 3.051 2.860 0.754) 4.249 6.200 ( 0.251 7.625 -1.384) 7.754 6.442 ( -5.410 -1.847 8.157) 9.960 6.637 ( -5.262 4.862 9.972) 12.279 6.760 ( 3.481 0.567 -1.774) 3.948 6.951 ( 0.725 6.094 1.242) 6.262 7.046 ( 5.042 7.988 -8.222) 12.524 7.086 ( 1.069 0.328 -2.697) 2.920 7.178 ( 1.143 -1.004 -0.316) 1.554 7.477 ( -0.570 5.844 -6.706) 8.913 7.709 ( -2.885 2.302 2.821) 4.645 7.731 ( 7.428 -3.934 -2.602) 8.799 7.942 ( 0.324 -1.146 -1.468) 1.890 8.059 ( -5.669 0.158 -6.889) 8.923 8.465 ( 0.090 -7.308 1.491) 7.459 8.563 ( 1.763 -5.089 -4.320) 6.905 9.247 ( 8.747 -8.917 4.009) 13.118 9.323 ( -9.149 -15.200 1.344) 17.792 10.625 ( 8.170 -1.540 8.003) 11.540 10.774 ( -11.537 -8.622 9.170) 17.074 11.120 ( -0.284 6.853 -6.075) 9.163 11.408 ( 6.183 -12.603 -11.408) 18.088 11.773 ( -9.746 -3.029 5.815) 11.746 11.860 ( 7.183 -4.960 1.902) 8.934 12.436 ( -1.753 4.062 13.540) 14.244 13.269 ( 2.180 -4.785 -21.529) 22.162 13.388 ( -5.706 0.665 -5.291) 7.810 13.425 ( 5.986 6.163 -5.322) 10.107 13.986 ( -4.723 2.744 -0.987) 5.551 14.016 ( 7.063 1.600 -2.925) 7.810 14.681 ( 0.448 -0.359 2.067) 2.145 14.790 ( 0.006 0.080 -2.403) 2.404 15.279 ( 1.503 -1.256 10.943) 11.117 15.612 ( -1.706 -4.302 -5.763) 7.391 15.712 ( -1.244 3.194 16.068) 16.429 16.076 ( -1.495 -5.885 4.188) 7.376 16.346 ( -5.886 1.177 3.055) 6.735 16.546 ( 4.203 -2.776 -2.254) 5.518 24.213 ( 0.839 -0.590 0.830) 1.320 24.247 ( -0.927 -1.035 -0.788) 1.597 24.363 ( 1.445 0.791 0.812) 1.837 24.396 ( -1.400 0.432 -0.847) 1.693 25.555 ( -0.043 1.047 2.515) 2.724 25.638 ( -1.259 -1.227 -1.300) 2.186 25.920 ( -1.110 -1.372 1.801) 2.522 25.972 ( 2.275 -0.047 -0.204) 2.284 26.584 ( -2.731 0.428 7.507) 7.999 26.616 ( -0.908 0.529 9.941) 9.996 27.056 ( -0.202 10.602 -13.600) 17.246 27.220 ( 7.527 9.920 -18.656) 22.430 28.347 ( 0.111 3.513 4.134) 5.426 28.489 ( -0.442 -0.646 -2.692) 2.804 29.434 ( -4.343 -14.377 14.330) 20.759 29.705 ( 0.642 -13.384 -1.677) 13.504 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 3.449 0.000 3.008) 4.576 1.171 ( -1.428 -0.000 -3.734) 3.998 1.495 ( 16.493 0.000 4.870) 17.197 1.556 ( 11.278 0.000 18.513) 21.678 2.123 ( 3.858 0.000 -9.698) 10.438 2.393 ( -10.170 -0.000 4.879) 11.280 2.397 ( -13.002 -0.000 2.038) 13.161 2.578 ( 2.756 0.000 -20.562) 20.746 2.785 ( -6.792 -0.000 -5.011) 8.440 2.956 ( 4.111 0.000 35.312) 35.550 3.071 ( -11.027 -0.000 0.297) 11.031 3.270 ( 1.723 0.000 -10.230) 10.374 3.380 ( -3.988 -0.000 0.034) 3.988 3.619 ( 0.150 0.000 7.670) 7.671 3.799 ( -8.543 -0.000 7.087) 11.100 3.878 ( 2.914 0.000 8.657) 9.134 3.934 ( 1.219 0.000 -8.810) 8.894 4.039 ( 1.307 0.000 1.025) 1.661 4.401 ( 0.015 0.000 -7.806) 7.806 4.515 ( 12.599 0.000 -9.501) 15.780 4.563 ( 3.218 0.000 -12.011) 12.434 4.628 ( 0.735 0.000 4.144) 4.208 5.123 ( -2.357 -0.000 -6.148) 6.584 5.269 ( -1.581 -0.000 4.138) 4.430 5.575 ( 7.358 0.000 4.497) 8.623 5.652 ( -2.969 -0.000 5.625) 6.360 5.707 ( 0.328 0.000 7.826) 7.833 5.870 ( 2.927 0.000 9.036) 9.498 6.003 ( 11.218 0.000 -5.902) 12.676 6.063 ( 1.986 0.000 -2.387) 3.105 6.220 ( 7.776 0.000 2.029) 8.036 6.290 ( 1.043 0.000 -2.746) 2.937 6.436 ( 4.585 0.000 -10.088) 11.082 6.635 ( 2.883 0.000 1.707) 3.351 6.774 ( 10.335 0.000 -4.592) 11.309 6.844 ( 6.512 0.000 2.337) 6.918 6.995 ( 1.524 0.000 7.038) 7.201 7.099 ( -5.175 -0.000 2.656) 5.817 7.218 ( -4.542 -0.000 -1.869) 4.912 7.314 ( 1.443 0.000 -13.857) 13.932 7.393 ( -4.007 -0.000 3.172) 5.111 7.802 ( -3.085 -0.000 -5.360) 6.184 7.990 ( -0.069 -0.000 -3.605) 3.606 8.131 ( 7.424 0.000 2.695) 7.898 8.543 ( 0.078 0.000 -1.141) 1.143 8.783 ( 4.533 0.000 -6.534) 7.952 9.095 ( -22.808 -0.000 0.069) 22.808 9.217 ( -18.284 -0.000 6.984) 19.572 10.476 ( -9.798 -0.000 9.305) 13.513 10.671 ( -6.405 -0.000 -10.610) 12.393 11.093 ( 2.484 0.000 15.871) 16.064 11.986 ( -0.229 -0.000 5.142) 5.147 12.046 ( 11.768 0.000 -7.410) 13.906 12.046 ( 5.669 0.000 -7.011) 9.016 12.146 ( -2.869 -0.000 11.886) 12.227 13.060 ( -4.078 -0.000 -10.314) 11.091 13.478 ( 0.373 0.000 -6.604) 6.615 13.637 ( 6.784 0.000 -3.088) 7.453 14.142 ( 9.531 0.000 -9.994) 13.810 14.176 ( 8.985 0.000 1.412) 9.096 14.728 ( 2.194 0.000 2.750) 3.518 14.885 ( 4.164 0.000 -3.893) 5.700 15.306 ( -8.188 -0.000 9.387) 12.457 15.330 ( -8.585 -0.000 -2.764) 9.019 15.868 ( 1.101 0.000 13.465) 13.510 15.952 ( -5.043 -0.000 -0.639) 5.084 16.136 ( -11.138 -0.000 8.591) 14.067 16.595 ( 3.236 0.000 -7.383) 8.061 24.199 ( -1.520 -0.000 -0.396) 1.571 24.263 ( -1.387 -0.000 0.245) 1.409 24.316 ( 0.148 0.000 0.161) 0.219 24.404 ( 0.796 0.000 0.101) 0.803 25.653 ( 5.597 0.000 6.200) 8.353 25.826 ( -2.727 -0.000 3.319) 4.296 25.839 ( 2.049 0.000 -5.153) 5.545 26.187 ( 8.545 0.000 1.461) 8.669 26.611 ( -0.328 -0.000 5.423) 5.433 26.690 ( 0.707 0.000 -1.089) 1.299 26.815 ( 2.479 0.000 -16.421) 16.607 26.847 ( 0.742 0.000 -7.017) 7.056 28.378 ( 4.351 0.000 8.090) 9.185 28.586 ( 6.216 0.000 -5.231) 8.124 29.228 ( -26.569 -0.000 17.718) 31.935 29.690 ( -13.929 -0.000 0.107) 13.929 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.823 -2.586 -2.507) 3.695 1.159 ( 2.014 -6.495 -1.104) 6.889 1.577 ( 16.141 1.476 7.632) 17.915 1.895 ( 12.802 -13.069 10.131) 20.912 2.060 ( -2.245 6.111 -2.142) 6.853 2.242 ( -13.846 -1.288 3.399) 14.315 2.429 ( -4.430 -7.293 -1.591) 8.680 2.607 ( -0.136 -3.622 -18.971) 19.315 2.750 ( -9.659 -2.731 -2.224) 10.282 2.984 ( -8.295 -2.103 3.653) 9.304 3.106 ( 0.564 -6.346 12.577) 14.099 3.218 ( -0.090 2.604 -5.414) 6.009 3.339 ( 1.247 0.835 -0.275) 1.526 3.645 ( 3.234 1.596 8.974) 9.671 3.748 ( -2.559 1.507 9.134) 9.604 3.917 ( -1.278 -1.728 -8.930) 9.185 4.042 ( 0.926 -8.980 6.236) 10.972 4.071 ( 0.477 -3.428 0.955) 3.590 4.409 ( -1.765 -3.148 -4.340) 5.645 4.511 ( 4.742 2.372 0.490) 5.325 4.635 ( 4.058 -5.592 -10.027) 12.177 4.807 ( 7.464 -8.050 -2.255) 11.207 5.071 ( -2.334 0.762 -3.399) 4.193 5.256 ( -4.871 -0.867 6.356) 8.055 5.588 ( -4.259 3.929 5.924) 8.287 5.630 ( 5.536 1.584 4.729) 7.451 5.745 ( 1.180 -2.199 6.658) 7.111 5.824 ( 5.188 6.774 3.564) 9.246 6.009 ( 4.251 6.880 -0.822) 8.129 6.161 ( 6.481 -4.906 -6.172) 10.206 6.230 ( 3.655 3.573 -0.814) 5.176 6.360 ( 3.346 -1.725 3.815) 5.360 6.415 ( 6.331 1.224 -7.402) 9.817 6.610 ( 3.507 2.905 2.335) 5.117 6.862 ( 1.972 -0.031 8.961) 9.176 6.952 ( 3.588 -0.505 -3.385) 4.958 7.064 ( -0.038 -5.727 -2.824) 6.386 7.117 ( -2.357 -5.563 2.121) 6.403 7.132 ( -5.333 -1.356 -3.489) 6.516 7.384 ( -0.981 -5.521 -11.552) 12.841 7.404 ( 3.995 -1.426 -0.166) 4.245 7.764 ( -2.776 0.720 -5.593) 6.285 7.937 ( -0.060 4.316 -0.120) 4.318 8.192 ( 6.471 0.986 5.392) 8.480 8.570 ( 2.821 -0.741 -4.365) 5.250 8.745 ( -2.520 3.532 -4.019) 5.914 8.829 ( -14.364 7.829 -1.321) 16.412 9.120 ( -14.477 -3.707 2.160) 15.099 10.395 ( -8.973 1.381 6.907) 11.408 10.606 ( -6.308 -0.312 -8.733) 10.777 11.109 ( 3.303 2.639 16.040) 16.588 11.835 ( 3.598 10.077 3.224) 11.175 11.998 ( 0.116 4.990 4.211) 6.530 12.102 ( 2.015 5.463 -1.873) 6.116 12.323 ( 7.205 -11.340 -4.098) 14.046 13.010 ( -8.198 -0.443 -14.957) 17.062 13.412 ( 3.546 4.878 0.415) 6.045 13.656 ( 5.369 2.530 -6.134) 8.536 14.184 ( 9.667 3.731 -2.123) 10.577 14.303 ( 8.135 -4.597 -4.703) 10.461 14.763 ( 2.151 -0.573 2.082) 3.048 14.910 ( 5.355 0.800 -4.305) 6.918 15.205 ( -10.827 1.446 6.694) 12.811 15.270 ( -8.918 -0.914 -2.678) 9.357 15.864 ( -0.298 1.556 10.237) 10.359 15.953 ( -5.406 -2.397 4.684) 7.544 16.057 ( -4.176 0.463 11.296) 12.052 16.625 ( 1.966 -1.068 -8.552) 8.840 24.183 ( -0.529 0.399 -0.203) 0.693 24.253 ( -2.334 -0.427 -0.536) 2.432 24.323 ( 1.152 -0.212 0.851) 1.448 24.407 ( -0.008 0.175 0.127) 0.216 25.682 ( 2.998 2.184 3.079) 4.821 25.760 ( 1.420 3.522 2.343) 4.462 25.867 ( 0.060 -0.595 0.886) 1.069 26.274 ( 7.765 -0.609 1.614) 7.954 26.578 ( -1.529 9.929 -4.254) 10.909 26.620 ( -0.863 -0.430 6.716) 6.785 26.790 ( -0.161 -8.609 -6.694) 10.907 27.095 ( 1.987 -13.114 -16.721) 21.343 28.445 ( 5.121 -1.264 8.028) 9.605 28.628 ( 7.222 1.167 -4.548) 8.614 29.014 ( -19.767 1.948 17.264) 26.317 29.515 ( -13.754 4.704 -1.838) 14.652 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 1.195 -3.669 0.164) 3.862 1.324 ( 0.677 -6.710 0.290) 6.750 1.669 ( 10.201 2.133 2.904) 10.818 1.917 ( -4.706 5.162 0.528) 7.005 2.215 ( -0.125 -12.342 3.791) 12.912 2.289 ( 0.452 -9.008 9.916) 13.404 2.548 ( 1.167 -6.122 2.407) 6.681 2.656 ( -2.186 -3.729 -12.801) 13.511 2.689 ( -10.619 -0.913 0.162) 10.659 2.959 ( -6.854 -1.693 2.490) 7.486 3.127 ( 0.488 1.167 -9.627) 9.710 3.311 ( 4.193 -5.650 -5.349) 8.838 3.315 ( -1.409 3.781 3.751) 5.509 3.607 ( 0.286 4.296 7.143) 8.340 3.778 ( 5.568 -2.492 5.609) 8.287 3.879 ( -2.956 3.289 -2.265) 4.968 4.206 ( 1.346 -11.323 -0.153) 11.404 4.276 ( 0.373 -12.217 5.148) 13.262 4.461 ( 4.077 -0.387 -2.962) 5.055 4.596 ( -2.461 -10.531 4.323) 11.647 4.772 ( -0.463 -4.570 -3.343) 5.681 4.939 ( 4.620 -3.736 -5.435) 8.052 5.127 ( 0.835 -5.472 0.743) 5.585 5.253 ( -3.591 -2.808 3.996) 6.062 5.475 ( -4.258 3.423 6.970) 8.856 5.590 ( 1.320 6.577 6.602) 9.412 5.732 ( 8.189 6.607 2.909) 10.917 5.835 ( 2.613 2.276 3.761) 5.114 5.895 ( 1.427 2.438 -3.917) 4.830 6.175 ( -1.755 1.974 -5.238) 5.866 6.203 ( 3.253 5.522 1.714) 6.634 6.385 ( 2.770 -2.227 0.019) 3.554 6.499 ( 4.600 -0.645 -5.900) 7.509 6.616 ( -0.456 -1.652 5.139) 5.417 6.843 ( -4.914 2.831 10.180) 11.653 6.933 ( 4.702 0.751 -0.238) 4.768 7.156 ( 1.697 -2.605 -7.343) 7.974 7.167 ( -4.708 -4.621 -3.820) 7.623 7.242 ( -1.711 -7.534 4.495) 8.938 7.431 ( -3.543 -4.380 -9.316) 10.887 7.527 ( 8.988 -2.738 -3.014) 9.868 7.718 ( 1.092 1.697 -2.387) 3.125 7.873 ( 0.445 1.697 -0.081) 1.756 8.183 ( -1.964 3.592 3.926) 5.672 8.516 ( 1.904 8.523 -3.308) 9.339 8.577 ( -3.385 4.843 -5.919) 8.364 8.741 ( -0.317 -2.478 -3.233) 4.086 9.069 ( -8.910 -0.613 -1.172) 9.008 10.300 ( -4.513 2.150 5.190) 7.206 10.558 ( -7.744 -2.062 -4.888) 9.387 11.103 ( 3.136 2.728 14.031) 14.634 11.698 ( 4.237 7.871 4.200) 9.876 11.889 ( 1.565 6.800 -2.717) 7.488 11.951 ( -2.854 9.404 5.151) 11.095 12.567 ( 7.346 -7.293 -6.955) 12.471 12.886 ( -6.561 2.877 -14.957) 16.584 13.414 ( 1.808 -1.635 2.702) 3.639 13.648 ( 4.087 1.070 -8.823) 9.782 14.175 ( 10.584 5.762 -1.037) 12.095 14.424 ( 1.323 -2.651 -3.103) 4.290 14.755 ( 0.294 2.573 -0.053) 2.590 14.950 ( 7.347 0.953 -2.506) 7.821 15.103 ( -10.351 0.032 6.404) 12.172 15.214 ( -6.809 -2.071 -4.301) 8.315 15.848 ( 0.106 1.409 10.622) 10.716 15.930 ( -5.054 -0.666 7.764) 9.288 16.098 ( -0.383 -3.808 9.851) 10.568 16.630 ( 0.973 0.895 -8.608) 8.709 24.178 ( 0.744 0.167 -0.197) 0.788 24.238 ( -2.536 -0.415 -0.394) 2.600 24.343 ( 1.524 -0.381 0.572) 1.672 24.399 ( -0.871 0.119 0.268) 0.919 25.646 ( 1.463 2.757 0.459) 3.155 25.717 ( 0.176 2.514 1.492) 2.929 25.879 ( 1.647 0.433 3.755) 4.123 26.255 ( 3.726 8.840 -5.582) 11.099 26.474 ( -2.143 -2.201 8.671) 9.199 26.646 ( -1.229 -1.411 11.237) 11.392 26.964 ( 0.687 -9.759 -12.299) 15.715 27.306 ( 1.288 -9.344 -19.537) 21.694 28.508 ( 2.527 0.068 6.792) 7.247 28.650 ( 6.472 2.630 -2.993) 7.600 28.903 ( -9.294 -2.612 13.193) 16.347 29.304 ( -10.275 5.110 -1.703) 11.602 ======================= Grid point 154 (76/114) ======================= q-point: ( 0.62 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.641 -1.288 4.205) 4.445 1.424 ( -0.565 -3.200 0.337) 3.267 1.737 ( 6.392 -2.115 0.758) 6.775 1.822 ( -2.037 0.305 -0.565) 2.136 2.309 ( -6.506 0.398 7.333) 9.811 2.488 ( -2.481 -5.230 -1.084) 5.889 2.604 ( -4.569 -2.769 3.861) 6.592 2.707 ( 2.632 -4.879 7.424) 9.266 2.735 ( -0.501 -7.225 -4.598) 8.579 2.945 ( -0.514 0.570 2.016) 2.157 3.088 ( 0.830 1.159 -7.541) 7.675 3.226 ( -1.669 1.244 2.861) 3.538 3.352 ( 5.265 7.333 -2.213) 9.295 3.594 ( -4.305 -4.930 -3.459) 7.403 3.780 ( -3.598 1.771 3.052) 5.039 3.868 ( 5.924 -0.082 -1.454) 6.100 4.363 ( 0.482 -4.200 3.041) 5.208 4.463 ( 4.935 4.001 2.112) 6.695 4.548 ( 2.718 -8.449 -1.857) 9.068 4.787 ( -5.278 -2.333 -1.661) 6.005 4.890 ( -2.537 -20.980 5.020) 21.721 5.061 ( 1.528 -3.488 -2.795) 4.724 5.209 ( 0.170 -2.652 4.826) 5.509 5.294 ( -1.831 -3.018 -0.175) 3.534 5.436 ( -1.380 2.781 7.560) 8.173 5.469 ( 1.264 3.456 6.565) 7.526 5.635 ( 2.541 9.279 0.510) 9.634 5.719 ( 1.969 6.613 1.661) 7.097 5.953 ( 1.402 -1.570 -3.632) 4.198 6.076 ( 0.740 5.492 -6.798) 8.770 6.178 ( 1.138 -1.126 3.286) 3.655 6.421 ( 0.728 0.690 3.567) 3.706 6.495 ( 0.585 1.565 -8.593) 8.754 6.650 ( -6.824 -2.354 1.626) 7.399 6.770 ( 0.437 1.447 6.006) 6.193 6.970 ( 3.774 0.657 5.221) 6.476 7.174 ( 1.298 0.039 -5.799) 5.943 7.210 ( -3.989 -5.160 -9.769) 11.746 7.352 ( -2.187 -4.316 3.826) 6.168 7.472 ( -0.685 -2.426 -4.860) 5.475 7.610 ( 5.385 1.115 0.476) 5.520 7.740 ( 5.666 -0.678 1.948) 6.030 7.869 ( -0.773 -0.739 -1.537) 1.873 8.049 ( -10.342 2.935 0.410) 10.758 8.381 ( 3.172 7.080 -1.493) 7.901 8.500 ( 6.614 4.516 -8.277) 11.517 8.811 ( 2.015 -4.148 -2.449) 5.222 8.984 ( -6.786 0.945 -2.447) 7.275 10.283 ( -0.284 -2.056 6.404) 6.732 10.550 ( -5.816 -4.249 -2.883) 7.758 11.094 ( 0.785 1.732 11.008) 11.171 11.629 ( 5.627 4.002 3.070) 7.557 11.712 ( 1.462 12.703 -4.616) 13.595 11.786 ( -6.400 2.960 5.498) 8.942 12.641 ( 3.112 3.597 -5.689) 7.415 12.862 ( 0.532 -5.705 -13.580) 14.739 13.469 ( -1.905 -2.975 1.631) 3.891 13.659 ( 3.209 0.345 -9.371) 9.911 14.153 ( 11.135 6.139 -0.781) 12.739 14.377 ( -8.468 3.580 -2.688) 9.578 14.708 ( 2.024 2.780 1.616) 3.800 14.940 ( 1.183 3.930 -4.825) 6.334 15.071 ( -4.882 -3.573 6.819) 9.116 15.259 ( -0.245 -5.921 -3.663) 6.967 15.831 ( -1.856 1.161 12.115) 12.311 15.932 ( -0.809 -0.824 9.363) 9.434 16.192 ( -0.657 -5.151 6.524) 8.338 16.587 ( 0.603 3.002 -7.630) 8.222 24.189 ( 1.947 -0.056 -0.200) 1.958 24.224 ( -2.609 -0.475 -0.076) 2.653 24.363 ( 1.674 -0.200 0.140) 1.692 24.391 ( -1.411 -0.301 0.183) 1.454 25.617 ( 1.996 1.809 0.270) 2.707 25.667 ( -1.866 1.833 0.320) 2.635 25.887 ( 1.387 0.573 3.542) 3.846 26.097 ( -0.257 6.862 -4.135) 8.015 26.538 ( -1.084 -3.104 12.361) 12.790 26.667 ( -1.795 -0.198 13.678) 13.796 27.129 ( 2.288 -7.529 -15.957) 17.791 27.421 ( 1.486 -3.960 -21.291) 21.707 28.502 ( -0.959 1.396 5.409) 5.668 28.617 ( 2.767 4.572 -1.312) 5.503 28.986 ( -0.008 -7.331 7.630) 10.581 29.169 ( -5.376 1.107 1.359) 5.654 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 1.560 1.605 4.589) 5.106 1.424 ( -1.922 1.991 -1.547) 3.170 1.801 ( -7.649 -5.125 1.393) 9.312 1.916 ( 9.531 -4.658 -4.013) 11.342 2.150 ( -2.007 10.934 8.186) 13.806 2.482 ( 0.655 3.288 -4.048) 5.257 2.592 ( -1.026 5.628 15.570) 16.588 2.764 ( -4.100 -3.871 1.316) 5.790 2.837 ( -1.835 -5.675 -3.973) 7.167 3.029 ( -0.963 -7.268 -0.018) 7.331 3.131 ( 5.606 1.362 -2.918) 6.465 3.171 ( -1.552 3.132 -6.142) 7.067 3.296 ( 1.586 -3.507 7.496) 8.427 3.571 ( -0.861 3.260 -4.781) 5.851 3.823 ( -5.170 -6.890 1.992) 8.842 3.890 ( 4.062 1.526 3.821) 5.782 4.374 ( 5.189 8.057 3.590) 10.234 4.444 ( 1.926 -1.086 4.210) 4.755 4.603 ( -1.857 1.478 -0.562) 2.439 4.744 ( -4.015 2.381 -8.014) 9.275 5.034 ( -2.541 6.512 5.800) 9.083 5.182 ( 0.247 1.755 7.051) 7.270 5.245 ( -2.393 -4.776 3.023) 6.138 5.321 ( 0.851 1.877 1.094) 2.333 5.419 ( -0.426 -10.221 -2.758) 10.595 5.502 ( 3.263 2.153 2.325) 4.548 5.536 ( -1.559 -3.441 0.513) 3.813 5.602 ( 0.569 7.089 0.854) 7.163 5.931 ( 1.269 3.369 -1.291) 3.825 5.990 ( -0.074 2.940 -8.887) 9.361 6.232 ( 2.214 -1.405 0.380) 2.650 6.400 ( -1.589 1.835 6.888) 7.304 6.432 ( -0.701 4.093 -5.436) 6.841 6.629 ( -5.434 -3.498 5.283) 8.347 6.785 ( 4.196 1.521 0.220) 4.468 6.981 ( -0.313 0.230 3.377) 3.399 7.171 ( 4.050 1.808 -5.923) 7.399 7.306 ( -1.084 -6.414 -13.273) 14.781 7.385 ( 1.497 -1.415 -1.823) 2.751 7.426 ( -1.610 7.581 -1.728) 7.940 7.612 ( 3.075 0.315 6.346) 7.059 7.800 ( -3.866 -1.309 5.878) 7.156 7.892 ( 3.540 -2.092 -4.739) 6.274 7.956 ( -7.694 -1.900 -0.148) 7.927 8.282 ( 0.795 4.355 -0.056) 4.427 8.479 ( 6.157 2.169 -7.610) 10.026 8.903 ( -3.160 -5.539 0.402) 6.390 8.999 ( 2.905 -5.552 -3.911) 7.386 10.372 ( -2.090 -6.681 8.490) 11.004 10.616 ( 0.566 -4.384 -0.022) 4.420 11.087 ( -1.524 -1.304 3.992) 4.467 11.474 ( 1.042 11.009 -6.186) 12.671 11.673 ( 6.736 -1.610 6.797) 9.704 11.696 ( -8.371 0.249 1.490) 8.507 12.581 ( 2.459 3.833 0.378) 4.570 12.976 ( 1.276 -6.192 -16.376) 17.554 13.480 ( -3.576 -0.318 0.229) 3.597 13.650 ( 3.241 2.570 -8.286) 9.261 14.119 ( 3.744 5.655 0.404) 6.794 14.205 ( -2.145 5.668 -4.751) 7.701 14.687 ( 1.895 1.476 2.480) 3.453 14.855 ( -0.934 3.411 -5.519) 6.555 15.144 ( -1.910 -5.146 8.022) 9.720 15.386 ( 0.822 -6.585 -3.728) 7.611 15.799 ( -3.564 1.314 13.293) 13.825 15.962 ( 0.855 -0.817 10.973) 11.036 16.291 ( -2.114 -5.000 1.976) 5.777 16.524 ( 1.647 2.859 -5.022) 6.009 24.207 ( -0.063 0.019 0.197) 0.208 24.215 ( 0.173 -0.646 -0.223) 0.705 24.377 ( 0.540 0.047 0.269) 0.605 24.389 ( -0.628 -0.561 -0.377) 0.923 25.607 ( 1.311 1.418 0.523) 2.001 25.621 ( -1.465 0.796 -0.119) 1.671 25.891 ( 0.304 0.083 2.568) 2.587 25.997 ( -0.351 2.682 -2.248) 3.517 26.590 ( -1.739 -1.700 13.731) 13.944 26.654 ( -2.219 1.411 13.368) 13.624 27.231 ( 2.352 -2.243 -16.499) 16.816 27.438 ( 3.502 0.994 -23.028) 23.314 28.475 ( -0.539 1.054 2.967) 3.194 28.533 ( 0.314 4.909 0.072) 4.920 29.112 ( -1.822 -3.918 7.596) 8.739 29.223 ( 0.145 -9.542 2.215) 9.797 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 2.746 3.271 1.811) 4.639 1.330 ( -2.008 4.680 -3.388) 6.117 1.780 ( -12.366 2.782 7.160) 14.557 1.939 ( 2.598 8.246 4.300) 9.656 2.055 ( 5.199 -0.739 -1.786) 5.547 2.400 ( 3.850 4.127 13.677) 14.796 2.495 ( 6.895 6.144 -8.030) 12.238 2.840 ( -0.420 -3.694 2.496) 4.477 2.912 ( -1.257 2.029 -4.975) 5.518 2.990 ( 0.604 -0.259 0.019) 0.657 3.133 ( -4.642 -3.856 1.259) 6.165 3.200 ( -6.645 -4.038 2.938) 8.312 3.447 ( 2.418 -5.214 -1.452) 5.928 3.507 ( 2.935 2.757 -3.830) 5.558 3.834 ( -0.420 4.057 11.050) 11.779 3.925 ( -2.540 -2.753 4.050) 5.516 4.242 ( 3.155 6.921 3.287) 8.286 4.443 ( -1.002 7.065 8.605) 11.179 4.541 ( 1.176 1.199 1.041) 1.976 4.606 ( -1.371 7.692 -10.845) 13.366 4.850 ( 1.093 9.509 1.716) 9.724 5.050 ( 1.665 9.596 0.380) 9.747 5.254 ( -2.185 0.571 -0.692) 2.362 5.302 ( -1.503 1.232 2.059) 2.831 5.410 ( 1.678 7.624 -2.790) 8.290 5.559 ( -5.345 -5.841 2.241) 8.228 5.582 ( -0.746 -1.121 3.194) 3.467 5.640 ( 4.367 -5.150 -7.012) 9.735 5.869 ( -2.810 1.382 -1.348) 3.409 5.986 ( 5.266 -1.182 -8.537) 10.100 6.238 ( 2.555 3.651 2.858) 5.294 6.315 ( 0.023 3.541 -0.150) 3.544 6.386 ( -1.495 0.919 4.856) 5.163 6.667 ( -3.980 -0.875 8.973) 9.855 6.780 ( 2.476 0.725 -0.489) 2.626 6.975 ( -2.066 -0.457 2.156) 3.020 7.164 ( 4.796 3.496 -3.585) 6.934 7.227 ( 1.930 8.323 -4.702) 9.752 7.263 ( 1.872 6.312 -4.293) 7.860 7.510 ( 3.838 -3.479 -13.897) 14.831 7.671 ( 1.018 -2.883 6.471) 7.157 7.742 ( -6.083 0.960 0.354) 6.168 7.938 ( 3.118 0.596 1.659) 3.582 7.968 ( -5.555 -3.927 -3.936) 7.859 8.280 ( -3.534 -6.173 1.525) 7.274 8.536 ( 7.515 -2.746 -5.279) 9.586 8.996 ( -7.959 -8.572 -0.215) 11.699 9.163 ( 4.010 -7.780 -0.819) 8.791 10.505 ( -8.450 -9.564 8.788) 15.496 10.684 ( 4.731 -0.076 7.499) 8.867 11.133 ( -6.379 -2.743 -8.229) 10.767 11.346 ( 10.381 1.535 -6.418) 12.301 11.640 ( -8.849 -2.253 3.350) 9.726 11.816 ( 5.872 -5.774 7.807) 11.348 12.530 ( 1.746 4.233 5.507) 7.162 13.080 ( -1.876 -7.416 -18.979) 20.463 13.424 ( -1.524 3.241 -1.550) 3.902 13.591 ( 3.358 5.627 -7.381) 9.870 13.990 ( -5.714 3.113 -1.021) 6.586 14.169 ( 11.943 4.751 -4.436) 13.598 14.691 ( 2.099 0.246 2.162) 3.023 14.796 ( -0.364 1.228 -4.267) 4.455 15.235 ( -1.576 -4.407 9.233) 10.352 15.492 ( -2.712 -5.024 -4.632) 7.352 15.761 ( -2.228 1.324 14.710) 14.936 16.007 ( 0.166 -2.014 10.577) 10.768 16.302 ( -6.531 0.312 -0.473) 6.555 16.537 ( 4.149 -1.868 -2.429) 5.158 24.198 ( -1.984 -0.486 0.149) 2.048 24.242 ( 2.581 -0.377 -0.060) 2.609 24.370 ( -1.855 0.015 -0.064) 1.856 24.397 ( 0.963 0.096 -0.133) 0.977 25.575 ( -1.425 0.894 0.780) 1.854 25.624 ( 2.039 0.029 0.081) 2.041 25.896 ( -0.801 -0.470 1.761) 1.991 25.984 ( 2.021 -0.730 -1.168) 2.446 26.589 ( -3.774 1.431 13.129) 13.736 26.632 ( -0.727 0.495 10.890) 10.926 27.191 ( 0.351 5.365 -14.928) 15.867 27.400 ( 6.200 4.605 -23.219) 24.470 28.435 ( 1.179 4.303 2.348) 5.042 28.479 ( 0.166 0.022 -0.355) 0.392 29.193 ( -5.755 -7.200 12.320) 15.386 29.444 ( -1.381 -12.460 -0.287) 12.540 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 8.055 0.000 -4.171) 9.070 1.135 ( -1.712 -0.000 -1.471) 2.257 1.801 ( 15.177 0.000 1.851) 15.289 1.823 ( 12.227 0.000 11.955) 17.101 2.133 ( -12.912 -0.000 1.338) 12.981 2.141 ( -5.645 -0.000 0.578) 5.675 2.232 ( -2.066 -0.000 -3.361) 3.946 2.530 ( -4.448 -0.000 -15.097) 15.739 2.659 ( -5.171 -0.000 -1.682) 5.437 2.844 ( -13.550 -0.000 -3.301) 13.947 3.076 ( 0.676 0.000 4.686) 4.735 3.229 ( -2.607 -0.000 -11.777) 12.063 3.355 ( 2.685 0.000 13.144) 13.415 3.698 ( -5.855 -0.000 8.718) 10.502 3.703 ( 6.318 0.000 1.989) 6.623 3.931 ( 3.870 0.000 -6.813) 7.835 4.006 ( 6.217 0.000 5.105) 8.044 4.059 ( 0.175 0.000 4.675) 4.679 4.284 ( -12.115 -0.000 4.045) 12.773 4.592 ( 2.917 0.000 -10.714) 11.104 4.696 ( 4.986 0.000 1.118) 5.110 4.717 ( 11.810 0.000 -5.242) 12.921 5.061 ( -2.825 -0.000 -1.971) 3.445 5.208 ( -5.367 -0.000 5.597) 7.755 5.611 ( -3.126 -0.000 8.186) 8.763 5.678 ( 1.709 0.000 3.841) 4.204 5.730 ( 0.001 0.000 8.648) 8.648 5.969 ( 4.833 0.000 7.091) 8.581 6.072 ( -0.470 -0.000 -1.793) 1.854 6.182 ( 10.856 0.000 -8.807) 13.980 6.325 ( 3.803 0.000 -0.717) 3.870 6.355 ( 5.872 0.000 2.241) 6.285 6.500 ( 4.684 0.000 -6.183) 7.757 6.702 ( 4.234 0.000 1.487) 4.487 6.893 ( 4.239 0.000 1.740) 4.583 6.954 ( 2.952 0.000 -6.209) 6.876 7.001 ( -5.748 -0.000 2.631) 6.321 7.020 ( -0.028 -0.000 6.775) 6.775 7.039 ( -11.629 -0.000 -2.366) 11.867 7.314 ( 2.573 0.000 -13.897) 14.134 7.449 ( 8.617 0.000 -5.035) 9.980 7.737 ( -2.471 -0.000 -7.479) 7.877 8.002 ( 2.079 0.000 6.426) 6.754 8.273 ( 7.174 0.000 8.268) 10.947 8.557 ( 2.088 0.000 -2.431) 3.205 8.699 ( -14.824 -0.000 0.087) 14.824 8.881 ( -19.981 -0.000 0.730) 19.994 8.891 ( 1.823 0.000 -7.938) 8.145 10.333 ( -8.657 -0.000 7.271) 11.306 10.565 ( -2.243 -0.000 -10.624) 10.858 11.183 ( 2.560 0.000 18.318) 18.496 11.994 ( -0.777 -0.000 8.141) 8.178 12.026 ( -5.297 -0.000 13.642) 14.635 12.194 ( 5.328 0.000 -13.498) 14.511 12.247 ( 13.113 0.000 -10.181) 16.601 12.902 ( -9.432 -0.000 -12.744) 15.855 13.510 ( 3.717 0.000 -0.714) 3.785 13.719 ( 4.115 0.000 -5.884) 7.180 14.280 ( 7.127 0.000 -4.538) 8.449 14.339 ( 8.880 0.000 -0.525) 8.895 14.779 ( 2.591 0.000 3.562) 4.405 14.956 ( 5.640 0.000 -5.718) 8.032 15.119 ( -14.504 -0.000 5.900) 15.658 15.178 ( -7.751 -0.000 -3.956) 8.702 15.892 ( -1.701 -0.000 11.391) 11.517 15.897 ( -1.904 -0.000 3.385) 3.884 16.037 ( -3.753 -0.000 13.033) 13.563 16.619 ( 2.141 0.000 -10.319) 10.539 24.182 ( -0.383 -0.000 -0.121) 0.402 24.231 ( -1.828 -0.000 -0.720) 1.965 24.330 ( 1.009 0.000 1.403) 1.728 24.410 ( -0.098 -0.000 -0.314) 0.329 25.720 ( -0.634 -0.000 2.612) 2.688 25.844 ( 0.400 0.000 -4.337) 4.355 25.850 ( 4.455 0.000 10.729) 11.617 26.321 ( 5.917 0.000 3.141) 6.699 26.619 ( -0.264 -0.000 5.704) 5.710 26.680 ( -1.204 -0.000 -3.528) 3.728 26.785 ( -0.840 -0.000 -20.564) 20.581 26.849 ( 1.402 0.000 -6.110) 6.269 28.496 ( 6.243 0.000 9.822) 11.638 28.704 ( 8.517 0.000 -5.012) 9.882 28.882 ( -17.973 -0.000 17.710) 25.233 29.433 ( -13.984 -0.000 -3.561) 14.431 ======================= Grid point 161 (80/114) ======================= q-point: ( 0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.054 -2.818 -0.056) 2.819 1.225 ( 4.105 -3.961 -2.853) 6.379 1.864 ( 12.287 5.997 2.021) 13.821 1.960 ( -9.811 -1.637 2.541) 10.266 1.986 ( -5.933 -3.674 5.958) 9.176 2.147 ( 4.130 -4.938 1.732) 6.666 2.406 ( 2.087 -11.005 -0.647) 11.219 2.498 ( -6.883 -4.147 -5.713) 9.860 2.627 ( -2.123 -0.490 -0.405) 2.216 2.799 ( -9.515 -5.729 -4.059) 11.825 3.097 ( -0.134 -2.024 -10.116) 10.317 3.206 ( -2.294 -2.282 -12.139) 12.563 3.404 ( 4.341 1.852 13.497) 14.299 3.695 ( 0.447 -2.019 8.801) 9.040 3.777 ( 2.794 -0.958 0.753) 3.049 3.939 ( 5.310 2.744 -1.529) 6.170 4.079 ( 1.103 -3.838 2.275) 4.596 4.099 ( 1.483 -4.219 3.983) 5.989 4.234 ( -13.653 -7.260 5.288) 16.342 4.619 ( 3.547 -0.617 -10.502) 11.102 4.714 ( 6.940 -1.168 1.839) 7.274 4.905 ( 4.337 -5.127 -5.117) 8.442 5.041 ( 0.002 -2.114 2.283) 3.111 5.186 ( -4.531 -1.506 4.482) 6.549 5.536 ( -3.281 5.113 8.448) 10.405 5.676 ( -1.305 1.381 5.369) 5.695 5.777 ( 0.274 -3.330 5.779) 6.676 5.952 ( 6.437 5.562 4.667) 9.703 6.011 ( -2.814 5.433 0.853) 6.177 6.236 ( 4.302 1.638 -10.431) 11.401 6.305 ( 5.522 4.433 2.060) 7.375 6.427 ( 1.647 0.326 1.618) 2.332 6.506 ( 5.098 0.240 -3.669) 6.285 6.660 ( 0.934 4.692 1.466) 5.004 6.867 ( -6.075 2.071 5.847) 8.683 6.960 ( 1.755 -1.514 -3.479) 4.180 7.025 ( -3.828 -4.974 -2.066) 6.608 7.069 ( -0.053 -4.865 -1.853) 5.206 7.085 ( -1.879 -6.540 3.942) 7.864 7.337 ( 1.219 -2.133 -11.110) 11.378 7.551 ( 9.400 -2.559 -9.913) 13.898 7.711 ( -1.303 -0.715 -7.558) 7.703 7.982 ( 5.160 5.470 8.837) 11.603 8.276 ( -0.732 6.303 7.791) 10.048 8.544 ( -11.698 2.116 3.393) 12.362 8.611 ( 3.099 -2.156 -3.704) 5.288 8.727 ( -2.723 -0.076 -6.099) 6.680 8.945 ( -4.112 -3.592 -6.208) 8.268 10.271 ( -6.998 0.132 6.429) 9.504 10.522 ( -0.265 1.853 -8.744) 8.942 11.200 ( 1.751 2.503 17.890) 18.149 11.901 ( 2.686 8.590 4.879) 10.237 11.951 ( -5.958 3.388 11.991) 13.812 12.143 ( 3.205 7.236 -10.788) 13.379 12.462 ( 10.107 -9.192 -9.479) 16.628 12.816 ( -9.300 -0.806 -12.986) 15.993 13.483 ( 3.962 4.759 1.256) 6.318 13.709 ( 2.896 2.684 -8.283) 9.176 14.336 ( 6.335 0.665 -1.848) 6.632 14.394 ( 3.659 0.009 -1.670) 4.022 14.801 ( 1.385 0.710 3.450) 3.785 14.998 ( -12.105 -0.235 4.957) 13.083 15.015 ( 6.465 -0.786 -4.180) 7.739 15.113 ( -7.467 -0.817 -4.585) 8.800 15.880 ( -1.516 1.066 9.674) 9.849 15.897 ( -0.442 -0.598 4.789) 4.847 16.051 ( -1.296 -2.040 14.222) 14.426 16.628 ( 1.167 -0.469 -10.690) 10.764 24.182 ( 0.408 -0.178 0.006) 0.445 24.215 ( -1.660 -0.041 -0.711) 1.806 24.346 ( 1.130 -0.426 1.309) 1.781 24.401 ( -0.562 0.519 -0.281) 0.815 25.694 ( -1.151 1.559 1.868) 2.691 25.786 ( 0.464 4.054 -0.403) 4.100 25.921 ( 4.272 0.071 8.017) 9.084 26.392 ( 4.843 -1.377 4.008) 6.436 26.518 ( -3.417 11.987 -9.816) 15.865 26.622 ( -0.981 -0.908 8.128) 8.237 26.770 ( -0.109 -8.491 -7.374) 11.247 27.072 ( 0.208 -12.749 -15.741) 20.257 28.550 ( 1.982 0.719 9.589) 9.818 28.753 ( 7.094 1.935 -4.164) 8.450 28.796 ( -7.364 -2.089 15.709) 17.475 29.288 ( -10.063 2.871 -4.479) 11.382 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 2.265 -3.985 3.141) 5.557 1.323 ( -0.978 -4.939 -1.652) 5.298 1.772 ( -2.303 3.656 3.044) 5.285 1.896 ( 4.914 3.250 -3.318) 6.762 2.164 ( -1.933 -10.415 7.513) 12.987 2.270 ( -6.955 -8.457 5.684) 12.337 2.505 ( -9.500 -6.597 -0.140) 11.567 2.611 ( 2.313 -2.231 -7.380) 8.049 2.684 ( 6.966 -4.778 9.176) 12.473 2.859 ( -3.491 -6.039 1.296) 7.095 3.101 ( -0.802 0.709 -9.258) 9.319 3.226 ( -4.830 -2.877 -7.330) 9.238 3.401 ( 4.934 0.160 2.007) 5.329 3.656 ( 3.386 8.472 -1.520) 9.249 3.794 ( -4.047 2.201 3.417) 5.735 3.936 ( 6.662 1.646 1.426) 7.009 4.242 ( 2.611 -7.947 0.359) 8.373 4.299 ( -1.110 -19.508 5.009) 20.172 4.368 ( -7.246 -13.510 0.010) 15.331 4.659 ( 2.780 -1.596 -6.002) 6.804 4.742 ( 0.385 2.408 4.442) 5.068 4.998 ( 2.724 -4.019 -6.205) 7.879 5.157 ( 2.152 -4.943 5.895) 7.989 5.212 ( -2.197 -4.122 1.809) 5.009 5.433 ( -3.068 2.426 9.710) 10.468 5.607 ( -1.552 5.485 7.571) 9.477 5.819 ( -7.104 6.936 0.050) 9.929 5.827 ( 0.926 2.554 1.707) 3.208 5.932 ( 6.686 2.354 0.982) 7.156 6.183 ( 2.840 3.949 -9.057) 10.280 6.263 ( 3.176 4.572 4.041) 6.879 6.429 ( 1.752 -0.292 1.573) 2.373 6.513 ( -0.534 1.406 -3.294) 3.621 6.585 ( -3.690 1.455 -0.550) 4.005 6.816 ( 0.681 1.578 5.991) 6.233 7.017 ( 3.096 -0.341 1.698) 3.547 7.059 ( -4.673 -3.788 -5.391) 8.078 7.148 ( -1.398 -4.122 -4.857) 6.523 7.200 ( -4.366 -7.301 4.800) 9.768 7.404 ( 2.379 -3.820 -6.197) 7.658 7.633 ( 2.614 -1.550 -6.002) 6.728 7.759 ( 4.268 -3.017 -6.330) 8.209 7.931 ( 4.935 5.601 6.584) 9.954 8.076 ( -7.330 7.730 1.514) 10.759 8.447 ( -4.710 1.476 -0.339) 4.948 8.642 ( 5.640 2.316 -6.300) 8.767 8.775 ( 4.168 -1.554 -1.195) 4.606 8.939 ( -3.191 -0.558 -6.001) 6.820 10.232 ( -5.326 -1.073 6.511) 8.480 10.493 ( 2.671 0.355 -5.310) 5.955 11.168 ( -0.231 3.565 15.423) 15.831 11.771 ( 1.093 6.761 2.031) 7.144 11.827 ( -4.783 5.866 10.797) 13.185 11.967 ( 2.287 11.284 -7.927) 13.978 12.695 ( 9.483 -4.769 -9.598) 14.310 12.735 ( -6.463 -1.830 -12.269) 13.987 13.438 ( -0.016 1.675 2.495) 3.005 13.681 ( 2.447 0.956 -9.877) 10.221 14.336 ( 0.028 3.457 -0.764) 3.541 14.372 ( 1.133 3.126 -2.685) 4.273 14.796 ( 3.924 2.394 4.263) 6.269 14.919 ( -11.334 -2.065 1.378) 11.602 15.025 ( -1.068 1.347 -1.267) 2.135 15.157 ( 4.198 -4.901 -3.744) 7.461 15.845 ( -2.960 1.416 9.522) 10.072 15.938 ( 3.354 -0.959 7.365) 8.149 16.112 ( -1.273 -3.450 11.759) 12.321 16.618 ( 0.245 0.967 -9.864) 9.914 24.192 ( -0.646 -0.414 0.139) 0.779 24.207 ( 0.533 -0.149 -0.619) 0.830 24.366 ( 0.626 -0.543 0.791) 1.146 24.384 ( -0.465 0.485 -0.063) 0.675 25.660 ( -0.263 1.375 1.352) 1.946 25.708 ( -0.484 3.668 -0.313) 3.713 25.937 ( 2.647 2.004 6.279) 7.102 26.245 ( -2.600 10.284 -8.100) 13.346 26.488 ( 0.767 -3.182 9.664) 10.204 26.651 ( -1.612 -1.472 12.167) 12.361 26.953 ( 1.982 -10.350 -13.277) 16.951 27.267 ( -0.111 -9.523 -18.253) 20.588 28.523 ( -3.557 1.331 8.155) 8.996 28.725 ( 1.798 4.150 -2.148) 5.007 28.886 ( 4.141 -5.083 10.698) 12.548 29.165 ( -3.407 2.760 -2.758) 5.179 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 1.969 -0.899 5.880) 6.265 1.379 ( -4.247 -3.099 -1.018) 5.355 1.721 ( -1.674 0.696 0.377) 1.852 1.939 ( 8.562 -0.905 -3.772) 9.400 2.257 ( -1.343 -1.638 7.023) 7.336 2.407 ( -7.078 -9.463 4.017) 12.481 2.543 ( -2.676 -3.663 1.274) 4.712 2.673 ( -0.636 -4.084 4.104) 5.824 2.803 ( 1.655 0.367 4.156) 4.488 2.922 ( -1.881 -3.145 2.507) 4.440 3.050 ( -2.872 -0.360 -7.300) 7.853 3.268 ( 4.471 -3.784 -0.720) 5.901 3.407 ( 1.251 9.037 -0.822) 9.160 3.560 ( 1.691 -0.498 -5.434) 5.713 3.702 ( -4.594 0.508 1.869) 4.985 3.959 ( 3.189 0.869 2.249) 3.998 4.387 ( 0.617 -5.251 2.411) 5.811 4.514 ( -0.216 -2.196 -3.317) 3.984 4.595 ( 1.656 -2.340 1.103) 3.072 4.698 ( -1.244 -2.567 -4.039) 4.945 4.837 ( -3.874 -17.397 6.507) 18.973 5.096 ( 3.083 -5.952 -2.453) 7.138 5.199 ( -2.301 0.093 4.150) 4.746 5.313 ( 3.372 -3.438 0.884) 4.896 5.401 ( -5.985 1.622 11.490) 13.057 5.499 ( -0.417 2.560 7.149) 7.605 5.591 ( -3.862 7.844 0.016) 8.743 5.777 ( 0.765 5.699 -2.647) 6.330 5.933 ( 0.561 1.909 -4.634) 5.043 6.121 ( 4.048 4.663 -6.963) 9.307 6.244 ( 4.163 0.615 2.871) 5.094 6.449 ( 0.846 1.807 7.401) 7.665 6.476 ( 1.331 0.977 -8.185) 8.350 6.532 ( -6.668 -1.487 1.423) 6.978 6.827 ( 3.095 0.531 4.727) 5.675 7.014 ( -0.359 1.446 3.220) 3.548 7.115 ( -0.285 -6.630 -9.628) 11.693 7.195 ( 0.962 -1.888 -5.772) 6.149 7.300 ( -4.831 -6.401 3.311) 8.676 7.460 ( -1.647 -0.797 -2.572) 3.156 7.659 ( 0.018 -0.496 -1.202) 1.300 7.794 ( -2.311 1.928 4.670) 5.556 7.859 ( 0.420 3.132 -1.140) 3.360 7.969 ( 4.419 1.470 0.413) 4.675 8.377 ( -1.176 3.731 -5.705) 6.917 8.608 ( 5.592 5.900 -7.954) 11.373 8.785 ( -5.364 -2.221 -1.235) 5.935 8.964 ( 6.556 -1.527 -2.208) 7.085 10.240 ( -5.333 -3.704 6.936) 9.501 10.569 ( 7.792 -3.845 -2.708) 9.102 11.102 ( -3.260 3.323 11.560) 12.462 11.635 ( -7.777 6.142 7.914) 12.682 11.691 ( 1.246 6.216 -11.176) 12.849 11.796 ( 4.392 7.103 6.374) 10.506 12.655 ( -0.841 1.992 -5.132) 5.569 12.871 ( 5.333 -4.653 -14.766) 16.375 13.427 ( -2.953 -1.529 2.032) 3.897 13.684 ( 2.070 0.036 -9.252) 9.481 14.180 ( -10.157 5.329 -1.371) 11.552 14.353 ( 8.952 4.147 -2.348) 10.142 14.768 ( 3.431 3.986 3.302) 6.210 14.865 ( -6.587 -0.112 -4.761) 8.128 15.039 ( -1.300 -3.775 5.601) 6.878 15.286 ( 3.918 -4.712 -3.019) 6.831 15.804 ( -3.537 1.190 10.769) 11.397 15.989 ( 2.905 0.170 11.841) 12.193 16.190 ( -0.918 -4.468 4.744) 6.582 16.573 ( -0.043 2.262 -7.524) 7.856 24.184 ( -1.925 -0.246 -0.024) 1.940 24.230 ( 2.706 -0.418 -0.274) 2.752 24.364 ( -1.706 -0.073 0.111) 1.711 24.391 ( 1.459 -0.255 0.192) 1.493 25.624 ( -2.290 1.807 0.136) 2.920 25.659 ( 1.963 1.602 0.499) 2.583 25.918 ( 0.645 1.850 4.069) 4.516 26.059 ( -2.462 5.502 -4.404) 7.465 26.558 ( -0.385 -2.284 11.879) 12.103 26.667 ( -2.250 0.019 14.265) 14.441 27.140 ( 3.748 -7.563 -16.486) 18.521 27.386 ( 0.670 -5.178 -20.585) 21.237 28.486 ( -2.244 0.534 5.360) 5.835 28.633 ( -0.744 5.036 -1.117) 5.211 29.048 ( 4.634 -5.769 6.906) 10.121 29.116 ( -0.573 0.408 1.409) 1.575 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 2.710 1.334 4.545) 5.457 1.370 ( -3.369 0.504 -1.130) 3.589 1.684 ( -4.765 0.336 -0.134) 4.779 2.004 ( 1.322 -0.304 1.642) 2.130 2.257 ( 10.505 6.818 1.824) 12.656 2.505 ( 2.046 -3.625 -1.535) 4.437 2.613 ( -1.314 2.740 13.501) 13.839 2.673 ( -5.782 -5.105 1.462) 7.851 2.831 ( 1.637 -4.725 -0.151) 5.002 2.959 ( -3.623 -3.487 -3.954) 6.397 3.082 ( -5.396 -4.500 -1.630) 7.213 3.179 ( -0.229 10.909 -0.029) 10.911 3.409 ( 6.299 -2.338 0.743) 6.760 3.532 ( -1.324 0.045 -3.453) 3.699 3.759 ( -2.372 -6.277 -0.610) 6.738 3.956 ( 1.754 2.826 6.881) 7.643 4.416 ( -3.049 7.148 -0.817) 7.814 4.479 ( -0.428 -3.778 5.338) 6.554 4.602 ( 2.712 3.596 -1.618) 4.786 4.711 ( 3.845 3.036 -2.948) 5.717 4.982 ( -3.765 0.932 6.619) 7.671 5.189 ( -2.605 -2.739 6.778) 7.761 5.222 ( -1.372 6.688 2.941) 7.434 5.335 ( 2.477 -6.646 -5.005) 8.681 5.391 ( -2.986 -2.051 2.623) 4.472 5.506 ( -2.412 -2.579 5.942) 6.913 5.550 ( 3.261 -2.451 -2.083) 4.580 5.612 ( -0.469 7.778 -2.182) 8.092 5.854 ( -3.549 3.069 -5.601) 7.306 6.072 ( 5.913 3.726 -7.514) 10.262 6.290 ( 3.116 -0.615 1.272) 3.421 6.391 ( -0.938 4.880 6.735) 8.370 6.440 ( 2.403 1.984 -1.937) 3.669 6.583 ( -1.257 -5.082 2.454) 5.782 6.819 ( -0.307 2.033 3.684) 4.219 6.978 ( -1.623 1.497 4.320) 4.852 7.231 ( 5.021 -0.295 -7.417) 8.962 7.286 ( 2.089 -6.384 -9.943) 11.999 7.346 ( -6.402 0.798 -4.611) 7.930 7.414 ( 2.249 -2.408 -2.580) 4.185 7.650 ( -3.134 0.296 2.433) 3.978 7.748 ( 0.609 3.537 7.187) 8.033 7.815 ( -3.724 -2.927 -0.213) 4.742 8.014 ( 5.246 1.041 -0.722) 5.397 8.261 ( -1.169 4.797 -2.908) 5.730 8.543 ( 1.550 0.492 -8.321) 8.479 8.823 ( -3.247 -4.549 -1.522) 5.793 9.068 ( 3.660 -4.193 -0.688) 5.608 10.298 ( -5.802 -6.017 6.898) 10.837 10.722 ( 8.095 -2.654 3.627) 9.259 11.039 ( -4.226 -0.519 1.146) 4.409 11.474 ( -0.570 5.664 0.916) 5.766 11.573 ( -3.920 2.218 -8.238) 9.389 11.799 ( 4.370 -0.926 12.133) 12.929 12.616 ( 0.762 2.052 -1.270) 2.531 12.945 ( 0.781 -2.882 -16.435) 16.704 13.440 ( -0.390 -0.808 -0.270) 0.937 13.675 ( 1.637 1.862 -7.705) 8.094 14.003 ( -7.073 4.118 -1.695) 8.357 14.354 ( 9.763 3.976 -2.695) 10.880 14.740 ( 3.323 1.871 2.506) 4.564 14.803 ( -3.253 1.060 -5.705) 6.652 15.127 ( -1.914 -5.255 7.863) 9.649 15.383 ( -0.083 -3.648 -3.444) 5.017 15.771 ( -2.841 0.599 12.402) 12.737 16.011 ( -0.045 0.322 14.622) 14.626 16.253 ( -1.409 -1.593 -1.859) 2.825 16.538 ( 0.950 0.094 -3.991) 4.103 24.173 ( -1.594 -0.322 -0.068) 1.628 24.262 ( 2.944 -0.244 -0.045) 2.955 24.349 ( -2.211 -0.081 -0.158) 2.218 24.406 ( 1.086 -0.091 0.129) 1.097 25.576 ( -1.741 0.986 -0.043) 2.001 25.657 ( 2.236 0.845 0.488) 2.439 25.895 ( -0.698 0.826 2.356) 2.593 25.985 ( -0.057 0.548 -2.000) 2.074 26.593 ( -2.081 -0.299 13.898) 14.056 26.652 ( -1.804 0.987 13.223) 13.382 27.231 ( 2.437 -0.426 -16.494) 16.679 27.439 ( 3.292 -1.709 -23.076) 23.372 28.478 ( 0.074 -0.157 2.497) 2.503 28.534 ( -0.325 4.410 0.566) 4.458 29.099 ( -1.460 -0.330 6.843) 7.005 29.228 ( -0.402 -8.573 2.961) 9.079 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -1.966 -0.000 -0.155) 1.972 1.231 ( 4.265 0.000 -4.601) 6.274 1.813 ( -9.914 -0.000 4.559) 10.912 1.855 ( -11.632 -0.000 9.530) 15.037 2.108 ( 8.380 0.000 -6.606) 10.671 2.181 ( 6.999 0.000 1.186) 7.099 2.269 ( 2.778 0.000 -3.425) 4.410 2.376 ( -5.539 -0.000 1.613) 5.769 2.626 ( -7.492 -0.000 -14.587) 16.399 2.651 ( 4.149 0.000 7.466) 8.541 3.061 ( 1.774 0.000 -12.725) 12.848 3.154 ( -1.898 -0.000 -10.358) 10.531 3.470 ( 0.296 0.000 12.189) 12.193 3.649 ( 0.326 0.000 8.904) 8.910 3.808 ( 5.365 0.000 -1.880) 5.685 3.969 ( -17.911 -0.000 19.523) 26.494 3.982 ( 3.871 0.000 -7.827) 8.732 4.142 ( 7.398 0.000 3.078) 8.012 4.146 ( 1.293 0.000 -0.138) 1.301 4.576 ( -3.042 -0.000 -4.898) 5.765 4.768 ( 2.398 0.000 0.600) 2.472 4.885 ( 8.828 0.000 -7.132) 11.349 5.037 ( 0.423 0.000 0.969) 1.058 5.127 ( -5.187 -0.000 2.280) 5.666 5.595 ( -1.362 -0.000 10.441) 10.529 5.660 ( -3.863 -0.000 4.891) 6.233 5.748 ( -0.799 -0.000 9.924) 9.956 6.039 ( 0.513 0.000 -1.583) 1.664 6.045 ( -1.031 -0.000 2.470) 2.677 6.318 ( 6.539 0.000 -10.651) 12.498 6.410 ( -0.769 -0.000 1.775) 1.934 6.420 ( 6.871 0.000 3.763) 7.834 6.531 ( -0.372 -0.000 -1.006) 1.073 6.759 ( -13.354 -0.000 -4.512) 14.096 6.786 ( 4.815 0.000 2.193) 5.291 6.911 ( -4.933 -0.000 -6.918) 8.496 6.956 ( 0.138 0.000 3.626) 3.628 6.992 ( 0.985 0.000 3.898) 4.020 7.057 ( 1.700 0.000 3.787) 4.151 7.333 ( 3.662 0.000 -13.816) 14.293 7.570 ( 6.504 0.000 -15.391) 16.709 7.678 ( -1.863 -0.000 -9.260) 9.446 8.132 ( 8.306 0.000 16.521) 18.491 8.389 ( -0.266 -0.000 13.041) 13.044 8.484 ( -7.991 -0.000 3.833) 8.863 8.553 ( -8.826 -0.000 -0.201) 8.829 8.642 ( 4.224 0.000 -8.508) 9.499 8.911 ( 2.836 0.000 -11.694) 12.033 10.229 ( -4.781 -0.000 6.233) 7.856 10.548 ( 3.240 0.000 -9.545) 10.080 11.259 ( 0.167 0.000 19.580) 19.580 11.949 ( -5.670 -0.000 11.099) 12.463 12.026 ( 0.733 0.000 5.511) 5.560 12.223 ( 1.641 0.000 -10.141) 10.273 12.433 ( 10.964 0.000 -12.803) 16.856 12.704 ( -8.960 -0.000 -10.346) 13.686 13.586 ( 4.879 0.000 -0.479) 4.902 13.750 ( 1.454 0.000 -9.315) 9.428 14.338 ( -0.114 -0.000 0.582) 0.593 14.446 ( 2.307 0.000 -3.738) 4.393 14.792 ( -6.870 -0.000 6.377) 9.374 14.917 ( -3.894 -0.000 4.806) 6.185 15.038 ( -4.513 -0.000 -5.391) 7.031 15.069 ( 6.306 0.000 -3.395) 7.162 15.898 ( 0.089 0.000 7.534) 7.535 15.900 ( 1.221 0.000 4.266) 4.438 16.040 ( -0.625 -0.000 16.120) 16.132 16.616 ( 0.730 0.000 -11.711) 11.733 24.185 ( 0.713 0.000 0.194) 0.739 24.202 ( -1.219 -0.000 -0.773) 1.443 24.354 ( 1.178 0.000 1.601) 1.988 24.401 ( -0.720 -0.000 -0.718) 1.017 25.694 ( -2.249 -0.000 2.946) 3.706 25.842 ( 0.668 0.000 -3.862) 3.920 25.969 ( 4.486 0.000 13.306) 14.042 26.408 ( 2.923 0.000 4.857) 5.669 26.628 ( -0.786 -0.000 4.081) 4.156 26.636 ( -2.415 -0.000 -4.939) 5.497 26.681 ( -4.297 -0.000 -21.084) 21.518 26.861 ( 1.642 0.000 -6.025) 6.244 28.554 ( -6.884 -0.000 10.703) 12.726 28.780 ( 5.518 0.000 16.710) 17.598 28.821 ( 3.855 0.000 -3.879) 5.469 29.242 ( -3.775 -0.000 -6.531) 7.544 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 1.101 -5.990 0.288) 6.097 1.257 ( -0.091 -1.322 -4.561) 4.750 1.765 ( -11.600 -1.688 13.333) 17.754 1.845 ( -5.270 -5.924 1.820) 8.135 2.087 ( 0.603 -0.552 -0.156) 0.832 2.184 ( 3.516 3.582 -1.045) 5.127 2.280 ( -7.603 -5.581 1.463) 9.544 2.541 ( 6.206 -6.989 -10.513) 14.067 2.668 ( 2.226 -9.580 -3.244) 10.357 2.717 ( 4.629 -0.442 8.261) 9.480 3.085 ( 1.094 -0.628 -8.849) 8.938 3.145 ( 0.344 -1.302 -10.416) 10.503 3.439 ( -4.935 0.049 9.541) 10.741 3.751 ( 0.434 -1.768 6.817) 7.056 3.826 ( 3.508 1.741 -1.705) 4.272 3.905 ( -13.067 -9.059 13.943) 21.147 4.053 ( 4.206 -1.965 -1.428) 4.857 4.148 ( 3.244 -2.333 -2.668) 4.804 4.187 ( 4.435 -0.345 -0.780) 4.516 4.575 ( -4.830 -3.901 -3.692) 7.224 4.839 ( 5.477 -0.942 -0.632) 5.593 4.928 ( 0.438 -2.032 -9.309) 9.538 5.084 ( 2.501 -4.000 7.265) 8.663 5.113 ( -4.718 -2.695 1.069) 5.538 5.523 ( -0.551 6.004 9.264) 11.054 5.643 ( -3.002 -0.262 5.522) 6.291 5.773 ( -3.018 -0.591 7.185) 7.815 5.962 ( -1.832 5.819 -1.183) 6.214 6.029 ( 0.895 1.815 3.390) 3.948 6.260 ( 1.159 5.627 -8.591) 10.335 6.352 ( -4.162 3.046 1.294) 5.317 6.461 ( 2.896 1.767 4.256) 5.443 6.519 ( -2.425 -0.321 -3.906) 4.609 6.671 ( 1.343 7.694 -1.622) 7.977 6.769 ( -4.495 -6.688 0.594) 8.080 6.940 ( -3.184 -3.954 -3.000) 5.897 7.010 ( 1.536 -3.227 1.877) 4.037 7.049 ( -1.810 -3.220 0.016) 3.694 7.085 ( 0.026 -1.857 5.197) 5.519 7.363 ( 4.588 -2.183 -11.621) 12.683 7.616 ( 1.178 -0.413 -10.199) 10.275 7.691 ( 2.289 -4.905 -12.305) 13.442 8.100 ( -2.685 7.725 8.831) 12.037 8.250 ( 3.774 11.422 8.607) 14.791 8.390 ( -6.928 -1.646 2.312) 7.487 8.640 ( 1.490 -3.797 -0.831) 4.162 8.774 ( 6.975 -4.775 -1.914) 8.667 8.924 ( 5.387 -0.158 -9.490) 10.914 10.200 ( -2.445 0.520 6.349) 6.823 10.554 ( 5.848 1.883 -7.258) 9.510 11.248 ( -1.775 2.900 18.389) 18.700 11.873 ( -5.601 4.485 8.139) 10.850 11.947 ( 1.090 6.825 0.410) 6.923 12.151 ( 0.398 6.996 -3.896) 8.018 12.575 ( -0.313 -6.388 -12.400) 13.952 12.673 ( 2.345 -3.951 -8.419) 9.591 13.547 ( 2.871 6.862 -0.444) 7.452 13.715 ( 0.629 2.173 -10.665) 10.902 14.316 ( -6.729 1.204 0.200) 6.839 14.440 ( -0.714 -0.497 -4.525) 4.608 14.748 ( -8.129 -2.361 6.870) 10.902 14.910 ( 3.017 2.025 4.499) 5.783 14.986 ( -5.583 -0.555 -3.500) 6.613 15.158 ( 9.233 -1.962 -2.379) 9.734 15.873 ( -0.783 2.196 6.601) 7.001 15.959 ( 4.801 -1.914 4.375) 6.772 16.074 ( -0.143 -1.147 16.098) 16.140 16.609 ( -0.244 -0.312 -11.398) 11.404 24.184 ( -0.650 0.313 -0.029) 0.722 24.206 ( 1.167 -0.740 -0.359) 1.428 24.366 ( 0.537 -0.001 1.187) 1.302 24.389 ( -0.428 0.247 -0.498) 0.702 25.672 ( -1.941 0.683 2.944) 3.592 25.790 ( 0.663 4.407 -1.663) 4.757 26.009 ( 2.354 1.528 9.982) 10.369 26.398 ( -7.114 8.817 -8.694) 14.281 26.472 ( 2.967 0.589 1.644) 3.443 26.626 ( -0.896 -0.649 7.980) 8.056 26.751 ( 0.464 -9.765 -9.002) 13.289 27.031 ( -0.428 -11.665 -13.361) 17.742 28.494 ( -8.013 -0.043 9.431) 12.375 28.790 ( -2.109 2.679 -2.116) 4.013 28.903 ( 10.595 -1.582 14.471) 18.004 29.220 ( 5.542 2.476 -5.971) 8.515 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -2.879 -2.118 -2.904) 4.605 1.297 ( 2.247 -4.891 2.987) 6.155 1.729 ( -1.917 -0.551 4.837) 5.232 1.947 ( 1.118 -5.336 -2.415) 5.963 2.138 ( -8.604 -7.881 4.916) 12.661 2.195 ( 1.294 -1.874 4.267) 4.837 2.364 ( -5.707 -8.298 5.042) 11.263 2.679 ( 5.069 -4.897 -4.241) 8.226 2.760 ( 2.350 -0.098 3.740) 4.418 2.887 ( 4.573 -5.823 -0.101) 7.405 3.066 ( -0.323 2.285 -5.059) 5.561 3.157 ( -1.282 -3.574 -3.620) 5.246 3.473 ( 1.669 -2.390 4.756) 5.578 3.662 ( -6.592 3.485 6.437) 9.850 3.733 ( -0.646 6.809 -4.241) 8.048 3.989 ( -0.714 1.785 4.171) 4.592 4.246 ( -0.771 -15.613 3.101) 15.937 4.285 ( 1.843 -7.480 0.065) 7.704 4.363 ( 2.142 -15.689 -3.721) 16.265 4.608 ( -2.982 -2.982 -3.596) 5.543 4.802 ( 1.525 4.279 -0.966) 4.644 5.027 ( 3.800 -4.444 -6.282) 8.582 5.146 ( -5.389 -5.542 -0.402) 7.741 5.226 ( 1.500 -6.179 9.711) 11.608 5.432 ( 1.474 4.522 7.181) 8.613 5.576 ( -4.226 5.724 8.640) 11.192 5.698 ( -5.218 4.217 -1.185) 6.813 5.823 ( -0.895 4.839 -2.601) 5.567 6.013 ( 1.349 2.627 1.203) 3.188 6.173 ( -1.656 1.596 -6.669) 7.055 6.292 ( -2.354 -0.046 2.146) 3.186 6.433 ( -4.651 -0.087 0.529) 4.682 6.506 ( 2.125 1.138 -7.001) 7.404 6.541 ( 0.981 5.009 7.183) 8.812 6.876 ( 3.575 -1.728 3.649) 5.392 6.982 ( -0.806 -2.573 -1.979) 3.344 7.057 ( -2.366 -3.305 -2.166) 4.606 7.086 ( -3.356 -3.468 2.380) 5.381 7.142 ( -2.461 -4.644 1.362) 5.430 7.436 ( 2.608 -0.866 -8.022) 8.479 7.615 ( -1.510 -1.728 -3.973) 4.588 7.809 ( 2.565 -3.317 -7.750) 8.812 7.918 ( -2.754 4.987 -1.298) 5.843 8.122 ( 5.196 8.330 10.093) 14.080 8.378 ( -1.636 -0.458 -4.560) 4.867 8.707 ( 2.791 -1.956 -1.746) 3.830 8.760 ( -1.276 5.641 -8.073) 9.931 9.031 ( 11.385 -0.209 -0.151) 11.388 10.187 ( -0.492 0.157 6.735) 6.755 10.594 ( 9.125 -0.932 -3.968) 9.994 11.168 ( -4.221 4.735 15.035) 16.319 11.704 ( -5.793 7.410 2.636) 9.768 11.823 ( -0.796 6.888 -4.216) 8.115 11.990 ( 1.089 8.814 5.607) 10.503 12.592 ( -6.588 -3.153 -7.711) 10.621 12.855 ( 11.696 -5.147 -12.625) 17.963 13.425 ( -1.832 4.573 0.704) 4.977 13.680 ( 0.219 0.290 -10.570) 10.576 14.179 ( -10.275 4.036 -0.659) 11.059 14.439 ( -0.180 -0.216 -4.071) 4.080 14.740 ( -7.718 -2.403 1.354) 8.196 14.890 ( 2.243 3.159 3.746) 5.389 14.984 ( 0.602 -2.154 2.201) 3.138 15.277 ( 8.346 -2.139 -1.604) 8.763 15.824 ( -1.917 2.342 7.819) 8.385 16.047 ( 5.978 0.319 9.736) 11.430 16.115 ( -0.974 -3.164 8.647) 9.259 16.588 ( -0.860 0.740 -9.271) 9.340 24.171 ( -0.907 0.261 0.023) 0.944 24.239 ( 2.391 -0.967 -0.385) 2.608 24.354 ( -1.398 0.504 0.196) 1.499 24.397 ( 1.098 -0.375 0.329) 1.206 25.639 ( -2.273 1.463 1.300) 3.000 25.716 ( 1.044 3.177 0.356) 3.363 25.978 ( -0.058 3.143 5.719) 6.527 26.148 ( -5.570 7.743 -7.211) 11.957 26.530 ( 1.005 -2.133 8.746) 9.058 26.651 ( -2.049 -1.294 12.534) 12.766 26.971 ( 4.237 -11.374 -14.778) 19.124 27.214 ( -0.772 -9.576 -16.682) 19.251 28.456 ( -5.298 -1.029 6.742) 8.636 28.694 ( -4.312 3.504 -1.891) 5.869 29.037 ( 8.789 -1.409 11.839) 14.812 29.212 ( 9.027 4.642 -2.937) 10.567 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -4.642 -2.902 -1.120) 5.588 1.374 ( 2.421 -0.992 4.266) 5.005 1.725 ( 1.998 2.823 -1.187) 3.656 2.026 ( 1.686 -0.347 0.655) 1.842 2.276 ( -0.533 -7.471 4.917) 8.960 2.285 ( -5.881 -12.226 1.652) 13.667 2.500 ( -3.248 -8.949 6.114) 11.314 2.722 ( 2.355 4.925 5.646) 7.854 2.834 ( 3.981 -3.861 -2.737) 6.184 2.938 ( 3.570 1.964 0.099) 4.075 2.979 ( -2.800 2.327 -2.741) 4.557 3.316 ( 1.385 -8.645 -4.273) 9.742 3.386 ( -4.135 7.027 7.785) 11.273 3.568 ( -0.556 6.859 -5.689) 8.928 3.698 ( 4.397 -2.529 0.390) 5.087 3.973 ( -2.495 -1.543 5.383) 6.130 4.368 ( -3.714 -4.959 6.252) 8.801 4.443 ( -5.036 -1.173 -5.112) 7.271 4.648 ( 5.653 -3.694 -5.455) 8.680 4.701 ( -1.185 -10.717 4.559) 11.706 4.800 ( -1.904 -8.099 3.702) 9.106 5.146 ( -2.829 -6.270 -1.236) 6.989 5.173 ( 4.371 0.069 -2.440) 5.007 5.314 ( -5.418 1.768 7.980) 9.806 5.366 ( 1.422 0.673 4.760) 5.014 5.498 ( 0.138 -0.151 5.193) 5.197 5.576 ( 2.466 3.307 -3.139) 5.184 5.742 ( -2.658 4.940 -3.738) 6.741 5.910 ( -3.463 5.858 -4.636) 8.234 6.145 ( 0.747 0.733 -6.683) 6.765 6.299 ( 0.428 -0.829 2.870) 3.018 6.417 ( -5.013 -3.083 -3.503) 6.849 6.485 ( 0.087 3.168 9.367) 9.888 6.528 ( 5.105 -0.445 -2.380) 5.650 6.882 ( 1.534 2.922 6.840) 7.594 6.982 ( -3.713 1.240 7.045) 8.059 7.143 ( -1.207 -6.761 -4.624) 8.280 7.189 ( 3.792 -7.512 -7.352) 11.175 7.213 ( -3.469 -5.938 -1.801) 7.109 7.403 ( -1.728 1.930 -4.958) 5.594 7.628 ( -2.222 -0.751 -2.699) 3.576 7.808 ( 3.125 1.516 4.896) 6.003 7.873 ( 1.318 4.300 -2.599) 5.195 8.063 ( 2.945 1.692 2.444) 4.185 8.338 ( -1.148 3.214 -7.043) 7.827 8.593 ( -2.778 6.962 -8.558) 11.376 8.767 ( 3.516 -1.474 -1.826) 4.228 9.083 ( 5.618 1.696 1.484) 6.053 10.211 ( 1.044 -1.422 6.703) 6.931 10.737 ( 10.794 -4.090 -0.899) 11.578 11.041 ( -6.338 4.459 9.109) 11.959 11.536 ( -4.880 4.550 1.758) 6.900 11.645 ( -2.270 8.011 -10.944) 13.751 11.890 ( 2.172 4.612 13.924) 14.828 12.588 ( -4.600 -2.239 -5.081) 7.210 12.964 ( 8.824 1.685 -15.678) 18.070 13.395 ( -0.618 -2.768 0.886) 2.971 13.675 ( -0.659 -0.896 -8.965) 9.033 14.017 ( -7.290 3.997 -1.414) 8.433 14.442 ( 0.527 -0.402 -2.513) 2.599 14.711 ( -6.383 -1.605 -2.378) 6.998 14.848 ( 1.700 2.857 1.315) 3.575 15.058 ( 2.479 -2.568 6.543) 7.454 15.364 ( 5.332 -0.512 -2.211) 5.795 15.779 ( -2.153 1.301 9.910) 10.224 16.046 ( -1.741 1.997 16.627) 16.837 16.214 ( 4.250 -3.315 -1.620) 5.628 16.544 ( -1.407 1.313 -5.658) 5.977 24.160 ( -0.647 0.076 0.001) 0.652 24.278 ( 2.794 -0.700 -0.366) 2.903 24.332 ( -2.004 0.299 0.102) 2.029 24.413 ( 0.883 -0.194 0.184) 0.923 25.585 ( -1.972 1.561 0.031) 2.515 25.690 ( 1.082 1.107 0.822) 1.753 25.921 ( -1.226 2.295 2.579) 3.663 26.006 ( -2.246 2.860 -2.594) 4.467 26.580 ( -0.485 -1.365 11.494) 11.585 26.661 ( -2.605 -0.060 14.347) 14.582 27.177 ( 5.220 -6.434 -17.042) 18.949 27.343 ( 0.466 -6.715 -20.247) 21.336 28.457 ( -2.350 -1.705 3.964) 4.914 28.593 ( -3.243 3.138 -0.174) 4.516 29.130 ( 2.488 -1.187 6.478) 7.041 29.188 ( 7.578 4.553 2.287) 9.132 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.735 0.000 -1.390) 1.572 1.218 ( -4.582 -0.000 -5.145) 6.890 1.677 ( -8.133 -0.000 8.027) 11.427 1.698 ( -7.972 -0.000 18.935) 20.545 2.022 ( -14.106 -0.000 0.191) 14.108 2.177 ( -0.696 -0.000 -1.651) 1.791 2.364 ( 11.949 0.000 -12.524) 17.310 2.482 ( 3.113 0.000 -11.807) 12.210 2.588 ( 10.787 0.000 -3.049) 11.210 2.797 ( 8.262 0.000 10.993) 13.752 3.085 ( 1.031 0.000 -5.875) 5.965 3.139 ( 3.281 0.000 -5.473) 6.381 3.329 ( -16.427 -0.000 16.070) 22.980 3.712 ( -9.622 -0.000 13.122) 16.272 3.773 ( 4.841 0.000 3.248) 5.830 3.877 ( 3.014 0.000 -1.104) 3.210 4.020 ( 2.414 0.000 -6.197) 6.651 4.223 ( 6.434 0.000 -0.581) 6.461 4.248 ( 3.852 0.000 -2.169) 4.421 4.468 ( -7.607 -0.000 -2.043) 7.876 4.773 ( -2.076 -0.000 -0.476) 2.130 4.946 ( 0.120 0.000 -12.304) 12.304 5.039 ( -4.965 -0.000 0.174) 4.968 5.085 ( 3.765 0.000 5.860) 6.966 5.610 ( -3.183 -0.000 8.618) 9.187 5.616 ( 1.048 0.000 8.785) 8.848 5.754 ( -1.220 -0.000 9.679) 9.756 5.989 ( -4.164 -0.000 -0.364) 4.180 6.043 ( -0.581 -0.000 -2.806) 2.866 6.333 ( -6.904 -0.000 0.652) 6.935 6.352 ( 0.487 0.000 -9.575) 9.587 6.510 ( -2.350 -0.000 2.973) 3.789 6.523 ( -6.204 -0.000 -2.154) 6.568 6.549 ( -0.749 -0.000 -1.937) 2.077 6.778 ( -7.325 -0.000 -4.674) 8.689 6.880 ( 4.292 0.000 4.933) 6.538 6.973 ( -3.320 -0.000 -2.227) 3.998 6.985 ( 1.053 0.000 3.295) 3.459 7.085 ( 0.053 0.000 4.406) 4.406 7.374 ( 4.950 0.000 -13.797) 14.658 7.617 ( 4.241 0.000 -12.263) 12.976 7.630 ( -0.533 -0.000 -9.904) 9.918 8.174 ( -7.178 -0.000 9.850) 12.188 8.248 ( -10.907 -0.000 0.222) 10.910 8.538 ( 2.392 0.000 4.973) 5.519 8.563 ( 10.871 0.000 6.581) 12.708 8.789 ( 11.364 0.000 -2.706) 11.682 8.983 ( 11.586 0.000 -7.081) 13.578 10.211 ( 1.162 0.000 6.507) 6.610 10.625 ( 7.776 0.000 -7.619) 10.887 11.279 ( -3.707 -0.000 19.612) 19.959 11.877 ( -5.188 -0.000 7.172) 8.851 12.024 ( -1.249 -0.000 -11.180) 11.250 12.229 ( 0.234 0.000 9.063) 9.066 12.463 ( -5.893 -0.000 -11.000) 12.480 12.646 ( 7.017 0.000 -9.021) 11.429 13.671 ( 5.262 0.000 -3.341) 6.233 13.718 ( -2.152 -0.000 -11.592) 11.790 14.292 ( -4.746 -0.000 1.378) 4.942 14.329 ( -13.384 -0.000 -4.903) 14.253 14.697 ( -2.553 -0.000 6.454) 6.941 14.926 ( -5.510 -0.000 -3.709) 6.642 14.967 ( 4.014 0.000 6.506) 7.644 15.216 ( 9.093 0.000 0.400) 9.102 15.911 ( -1.290 -0.000 4.685) 4.859 15.967 ( 5.298 0.000 3.818) 6.530 16.115 ( 5.515 0.000 15.872) 16.803 16.581 ( -1.402 -0.000 -12.174) 12.254 24.188 ( -0.172 -0.000 -0.570) 0.595 24.206 ( 1.562 0.000 0.495) 1.638 24.377 ( 0.911 0.000 1.346) 1.625 24.382 ( -1.223 -0.000 -1.018) 1.592 25.663 ( -2.429 -0.000 4.285) 4.926 25.850 ( 1.378 0.000 -3.598) 3.853 26.051 ( 0.805 0.000 12.395) 12.421 26.411 ( -6.717 -0.000 -6.130) 9.094 26.526 ( -2.328 -0.000 -9.977) 10.245 26.583 ( -1.805 -0.000 -4.593) 4.935 26.654 ( 0.390 0.000 4.219) 4.237 26.873 ( 1.466 0.000 -6.499) 6.662 28.430 ( -8.063 -0.000 9.090) 12.151 28.769 ( -6.639 -0.000 -4.006) 7.754 29.041 ( 17.161 0.000 18.303) 25.090 29.321 ( 12.487 0.000 -6.132) 13.911 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -2.883 -4.060 -1.803) 5.296 1.197 ( 0.349 -6.449 -2.321) 6.863 1.645 ( -7.235 -3.621 17.700) 19.462 1.780 ( -3.602 -9.440 6.000) 11.751 1.954 ( -8.993 -3.851 0.128) 9.784 2.150 ( -2.591 -0.331 -1.500) 3.012 2.383 ( 11.217 5.069 -5.482) 13.474 2.568 ( 2.405 -6.385 -8.572) 10.956 2.772 ( 7.513 -7.750 -4.369) 11.645 2.852 ( 5.652 2.657 8.616) 10.641 3.053 ( -6.070 -1.700 7.397) 9.719 3.174 ( 4.284 1.434 -3.121) 5.492 3.321 ( -7.626 -8.109 10.168) 15.076 3.622 ( -8.914 2.786 11.887) 15.117 3.867 ( 1.769 3.898 -0.700) 4.337 3.936 ( 6.378 -8.922 -1.275) 11.041 4.101 ( 2.288 -7.309 -5.272) 9.298 4.176 ( -0.314 1.951 -0.833) 2.144 4.261 ( 3.104 2.789 -2.502) 4.866 4.484 ( -3.190 -6.831 -2.832) 8.053 4.864 ( -3.839 -3.471 0.492) 5.199 4.880 ( -1.941 -3.834 -14.105) 14.745 5.018 ( -4.049 -1.393 -0.020) 4.282 5.160 ( 2.966 -3.785 5.906) 7.616 5.564 ( 1.717 4.516 8.127) 9.454 5.620 ( -0.897 0.618 6.536) 6.626 5.715 ( -4.640 4.008 5.283) 8.093 5.953 ( 1.200 5.106 -2.764) 5.929 6.008 ( -3.482 -1.253 1.272) 3.913 6.223 ( -4.312 3.965 -4.103) 7.152 6.230 ( -7.879 5.276 -0.019) 9.483 6.373 ( -7.228 -0.521 -6.629) 9.821 6.542 ( -1.638 0.594 -0.107) 1.746 6.655 ( -2.081 2.753 4.847) 5.950 6.721 ( -0.791 -10.414 -3.665) 11.068 6.920 ( 0.416 -2.498 -2.869) 3.827 6.961 ( -5.916 -1.396 5.240) 8.025 7.065 ( 1.807 -3.261 0.993) 3.858 7.096 ( 0.244 -0.308 3.591) 3.613 7.420 ( 4.504 -2.865 -11.758) 12.913 7.596 ( 0.499 1.480 -7.182) 7.350 7.709 ( 2.452 -5.611 -10.280) 11.965 7.999 ( -5.595 6.644 1.188) 8.767 8.247 ( -6.093 -2.243 3.674) 7.460 8.424 ( 4.996 8.258 3.890) 10.406 8.704 ( 4.395 -2.309 -1.349) 5.145 8.853 ( 6.801 3.804 -3.582) 8.576 9.147 ( 19.002 -1.276 1.313) 19.090 10.233 ( 4.360 1.111 6.931) 8.264 10.673 ( 9.147 1.133 -5.554) 10.761 11.230 ( -5.479 3.326 17.802) 18.920 11.794 ( -5.068 5.206 2.296) 7.619 11.919 ( -2.675 5.465 -11.334) 12.864 12.155 ( -1.334 7.481 10.364) 12.851 12.448 ( -6.704 -4.377 -4.455) 9.162 12.799 ( 10.098 -8.152 -9.953) 16.355 13.564 ( -0.640 8.981 -5.369) 10.483 13.689 ( 0.024 2.348 -10.538) 10.797 14.151 ( -10.993 2.387 -0.343) 11.254 14.324 ( -9.000 -4.569 -4.757) 11.159 14.692 ( -1.222 -0.137 5.016) 5.164 14.883 ( -4.543 -0.637 -1.674) 4.884 15.015 ( 5.243 -0.141 7.371) 9.047 15.316 ( 8.770 -1.779 1.996) 9.168 15.870 ( -1.952 2.459 4.881) 5.804 16.061 ( 5.498 -3.203 3.049) 7.055 16.162 ( 6.282 3.252 14.021) 15.705 16.563 ( -1.635 -0.944 -10.636) 10.803 24.178 ( 0.168 0.738 -0.050) 0.759 24.236 ( 2.133 -1.196 0.093) 2.447 24.357 ( -1.406 0.860 -0.392) 1.694 24.395 ( 0.606 -0.682 0.574) 1.079 25.641 ( -2.654 0.654 3.764) 4.652 25.801 ( 0.860 4.572 -1.614) 4.924 26.038 ( -1.598 2.588 7.567) 8.155 26.216 ( -10.434 6.780 -10.604) 16.349 26.520 ( 1.627 -0.909 4.461) 4.835 26.629 ( -1.002 -0.667 7.277) 7.376 26.750 ( 2.427 -11.951 -9.941) 15.733 26.995 ( -0.079 -9.676 -10.641) 14.383 28.389 ( -6.128 -1.190 7.428) 9.703 28.689 ( -6.485 1.463 -3.768) 7.642 29.190 ( 16.821 3.426 16.731) 23.971 29.401 ( 14.667 3.608 -4.102) 15.651 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -3.342 -2.466 -3.479) 5.418 1.341 ( 1.127 -4.438 0.671) 4.627 1.722 ( -2.485 -5.548 10.815) 12.406 1.963 ( 3.723 -6.737 -6.462) 10.050 2.016 ( -7.194 -10.256 9.061) 15.461 2.160 ( -4.359 -3.728 3.118) 6.528 2.376 ( 3.372 1.065 0.501) 3.572 2.719 ( 1.756 -7.230 -5.312) 9.142 2.823 ( 1.236 2.097 8.725) 9.058 2.974 ( 5.564 -5.077 -5.633) 9.406 3.070 ( 0.408 1.409 3.742) 4.019 3.173 ( 4.396 -2.203 0.467) 4.940 3.463 ( -4.918 4.387 6.622) 9.343 3.530 ( -5.999 -13.721 11.646) 18.971 3.732 ( 0.022 9.510 -4.848) 10.674 4.001 ( 1.579 5.369 0.660) 5.635 4.241 ( -2.645 -6.898 5.955) 9.489 4.299 ( 0.259 -8.962 -3.934) 9.791 4.384 ( 0.927 -14.980 2.368) 15.194 4.573 ( -0.421 -4.303 -5.156) 6.729 4.778 ( -2.341 1.600 -6.355) 6.959 5.006 ( -7.338 -5.149 0.752) 8.996 5.097 ( 3.403 -9.142 -9.831) 13.850 5.277 ( 2.166 -3.966 6.390) 7.826 5.513 ( 0.595 8.889 6.344) 10.937 5.513 ( -0.427 1.801 5.287) 5.602 5.645 ( -0.778 1.592 -0.219) 1.786 5.791 ( -1.384 6.389 -5.753) 8.708 5.978 ( -5.655 5.096 -0.718) 7.646 6.109 ( -3.000 -1.164 -4.687) 5.685 6.213 ( -6.122 -4.781 3.347) 8.458 6.325 ( -4.792 -2.053 -6.340) 8.208 6.521 ( -1.273 0.254 6.123) 6.259 6.608 ( 3.345 3.345 2.818) 5.507 6.912 ( -2.334 -1.083 6.477) 6.969 6.943 ( -6.300 -10.513 -1.369) 12.333 7.001 ( 1.437 -5.514 -3.806) 6.852 7.065 ( 1.268 3.934 2.999) 5.106 7.131 ( -0.360 -3.337 0.371) 3.377 7.465 ( 3.996 2.648 -10.582) 11.617 7.584 ( -0.551 -1.546 -2.374) 2.886 7.799 ( -1.488 -4.126 -4.557) 6.325 7.915 ( 2.056 0.834 -4.348) 4.881 8.186 ( 0.525 5.949 6.307) 8.686 8.352 ( -0.478 1.893 -5.489) 5.826 8.726 ( -2.578 4.655 -4.468) 6.949 8.802 ( 10.464 3.711 -1.504) 11.204 9.239 ( 10.913 6.222 2.842) 12.879 10.265 ( 6.938 1.541 7.300) 10.188 10.763 ( 10.720 -2.471 -3.582) 11.569 11.105 ( -6.735 5.949 13.494) 16.213 11.606 ( -5.599 7.671 -4.151) 10.364 11.769 ( -2.329 7.178 -7.553) 10.677 12.010 ( -2.791 5.962 13.342) 14.878 12.478 ( -4.742 -3.798 -0.830) 6.131 13.035 ( 12.831 -4.934 -15.280) 20.554 13.386 ( -1.977 5.218 -2.097) 5.961 13.629 ( -3.227 0.067 -10.048) 10.554 14.024 ( -6.663 2.885 -0.368) 7.271 14.322 ( -10.063 -5.175 -5.218) 12.461 14.679 ( -1.036 0.954 2.165) 2.583 14.860 ( -3.106 -0.326 -1.020) 3.286 15.086 ( 6.072 -0.659 8.838) 10.744 15.419 ( 7.864 -0.496 0.822) 7.923 15.809 ( -2.415 2.295 6.824) 7.594 16.097 ( -2.162 3.201 13.027) 13.587 16.212 ( 9.035 -2.154 1.247) 9.371 16.544 ( -1.724 0.747 -6.358) 6.630 24.166 ( 0.369 0.647 0.143) 0.759 24.282 ( 2.550 -1.253 -0.234) 2.851 24.326 ( -1.919 0.760 -0.125) 2.068 24.413 ( 0.571 -0.508 0.268) 0.810 25.597 ( -2.689 1.541 1.272) 3.350 25.730 ( -0.199 2.653 0.621) 2.732 25.961 ( -2.617 3.149 1.394) 4.325 26.038 ( -4.923 3.558 -2.316) 6.501 26.564 ( 0.499 -1.534 8.023) 8.184 26.643 ( -2.554 -0.941 12.121) 12.423 27.027 ( 6.676 -12.502 -16.960) 22.102 27.160 ( -0.784 -8.982 -14.462) 17.042 28.390 ( -3.828 -2.551 5.140) 6.898 28.602 ( -4.905 1.809 -2.287) 5.706 29.230 ( 9.073 5.561 12.542) 16.449 29.411 ( 13.098 7.883 -1.350) 15.347 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -8.165 -0.000 2.385) 8.506 1.111 ( 0.443 0.000 3.830) 3.856 1.552 ( -7.747 -0.000 12.622) 14.810 1.667 ( -2.946 -0.000 20.675) 20.883 1.849 ( -3.005 -0.000 -11.604) 11.987 2.140 ( -1.354 -0.000 -7.656) 7.775 2.518 ( 5.673 0.000 -6.247) 8.439 2.548 ( 8.855 0.000 -3.809) 9.640 2.772 ( 9.066 0.000 -4.298) 10.033 2.864 ( -22.253 -0.000 27.117) 35.079 2.972 ( 6.321 0.000 11.591) 13.202 3.244 ( 2.630 0.000 -2.979) 3.974 3.248 ( 9.016 0.000 0.517) 9.031 3.626 ( -2.605 -0.000 8.627) 9.012 3.868 ( 4.521 0.000 -2.920) 5.382 3.914 ( 1.718 0.000 -0.069) 1.720 4.026 ( -1.075 -0.000 -1.736) 2.042 4.227 ( -6.114 -0.000 -1.493) 6.294 4.342 ( 7.047 0.000 -4.182) 8.194 4.344 ( -4.743 -0.000 -4.623) 6.623 4.696 ( -5.189 -0.000 -4.680) 6.988 4.853 ( -5.962 -0.000 -13.408) 14.674 4.972 ( -3.005 -0.000 1.787) 3.496 5.150 ( 1.997 0.000 0.383) 2.034 5.592 ( -2.362 -0.000 12.901) 13.115 5.677 ( 3.611 0.000 4.294) 5.611 5.764 ( 0.061 0.000 8.008) 8.008 5.889 ( -6.677 -0.000 2.207) 7.032 6.033 ( 0.973 0.000 -7.292) 7.357 6.223 ( -5.859 -0.000 3.301) 6.725 6.259 ( -8.449 -0.000 -12.854) 15.382 6.366 ( -7.276 -0.000 -5.412) 9.068 6.458 ( -4.038 -0.000 1.134) 4.194 6.478 ( -8.879 -0.000 -5.717) 10.560 6.701 ( -0.848 -0.000 -1.556) 1.772 6.899 ( -5.276 -0.000 9.826) 11.153 6.899 ( -3.831 -0.000 2.107) 4.372 7.030 ( 4.262 0.000 -1.042) 4.388 7.094 ( 0.510 0.000 3.406) 3.444 7.409 ( 1.936 0.000 -11.577) 11.738 7.633 ( 4.537 0.000 -10.054) 11.030 7.668 ( 3.428 0.000 -3.555) 4.939 8.064 ( -6.176 -0.000 4.837) 7.845 8.097 ( -5.923 -0.000 -3.688) 6.977 8.594 ( 2.165 0.000 4.277) 4.794 8.673 ( 2.587 0.000 -5.547) 6.120 8.997 ( 12.448 0.000 2.212) 12.643 9.343 ( 27.148 0.000 4.344) 27.493 10.305 ( 7.506 0.000 7.030) 10.284 10.763 ( 9.287 0.000 -5.692) 10.892 11.228 ( -7.718 -0.000 18.790) 20.313 11.804 ( -4.512 -0.000 0.832) 4.588 11.927 ( -4.284 -0.000 -19.443) 19.910 12.278 ( -0.043 -0.000 22.336) 22.336 12.305 ( -8.955 -0.000 -5.640) 10.583 12.764 ( 8.122 0.000 -8.750) 11.939 13.617 ( -5.843 -0.000 -10.959) 12.420 13.746 ( 4.730 0.000 -8.210) 9.475 14.064 ( -13.590 -0.000 -4.509) 14.318 14.199 ( -5.750 -0.000 0.241) 5.755 14.688 ( -0.936 -0.000 5.254) 5.336 14.833 ( -4.128 -0.000 -2.253) 4.703 15.060 ( 4.317 0.000 9.331) 10.281 15.374 ( 8.036 0.000 5.969) 10.010 15.869 ( -4.384 -0.000 2.523) 5.058 16.099 ( 8.556 0.000 3.237) 9.148 16.310 ( 12.207 0.000 10.761) 16.273 16.504 ( -3.827 -0.000 -12.306) 12.887 24.193 ( 0.935 0.000 -0.246) 0.967 24.240 ( 2.207 0.000 0.758) 2.333 24.353 ( -1.795 -0.000 -1.097) 2.104 24.389 ( 0.169 0.000 0.856) 0.873 25.627 ( -3.270 -0.000 5.309) 6.236 25.864 ( 0.745 0.000 -4.243) 4.308 26.056 ( -3.008 -0.000 7.983) 8.531 26.163 ( -14.643 -0.000 -15.094) 21.030 26.533 ( 1.260 0.000 3.180) 3.420 26.562 ( 0.401 0.000 -1.903) 1.944 26.675 ( 0.927 0.000 3.562) 3.680 26.878 ( 1.120 0.000 -7.009) 7.098 28.335 ( -5.177 -0.000 7.207) 8.873 28.641 ( -5.988 -0.000 -4.617) 7.561 29.452 ( 24.400 0.000 17.119) 29.807 29.562 ( 15.089 0.000 -3.211) 15.426 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -5.543 -4.881 1.961) 7.641 1.228 ( -0.517 -8.470 3.632) 9.230 1.561 ( -7.771 -5.094 14.642) 17.342 1.751 ( -4.061 -8.958 17.368) 19.959 1.889 ( 4.999 -5.496 -14.187) 16.015 2.121 ( 0.205 0.362 -5.842) 5.857 2.548 ( 8.547 6.776 -4.908) 11.960 2.599 ( -0.357 -2.459 -0.710) 2.585 2.731 ( -12.139 -8.965 26.170) 30.210 2.923 ( 4.814 -1.672 0.894) 5.174 3.049 ( 2.043 -3.507 9.823) 10.629 3.250 ( 4.113 2.626 -2.290) 5.390 3.322 ( 4.543 -2.562 2.267) 5.687 3.566 ( -0.140 5.664 4.975) 7.540 3.881 ( -0.798 5.825 -0.201) 5.883 4.019 ( 2.664 -9.786 1.069) 10.198 4.095 ( -2.940 -7.822 0.331) 8.363 4.142 ( -1.126 1.210 -3.201) 3.602 4.268 ( -0.625 -0.381 -0.100) 0.739 4.467 ( 1.219 -5.790 -6.297) 8.641 4.723 ( -9.658 -2.010 -2.543) 10.187 4.813 ( -0.348 -7.065 -15.756) 17.271 4.979 ( -1.749 -3.428 -3.091) 4.936 5.203 ( 0.966 -4.271 -1.084) 4.511 5.561 ( -4.250 3.814 12.275) 13.538 5.647 ( -0.489 2.363 1.353) 2.766 5.688 ( 1.687 5.777 4.627) 7.591 5.931 ( -3.634 3.197 -2.251) 5.338 5.983 ( 0.878 0.980 -1.237) 1.806 6.072 ( -7.421 2.051 2.197) 8.006 6.148 ( -4.979 4.376 -8.207) 10.550 6.207 ( -8.398 -0.283 -4.933) 9.744 6.458 ( -5.283 -6.019 3.078) 8.580 6.638 ( -1.527 -7.703 -0.824) 7.896 6.710 ( -0.034 -3.144 -1.303) 3.403 6.865 ( -6.599 -1.120 7.689) 10.195 6.902 ( -1.354 -3.883 -3.295) 5.270 7.078 ( 0.024 -1.377 0.378) 1.428 7.146 ( 3.763 -0.803 4.031) 5.573 7.426 ( -0.581 -3.798 -9.592) 10.333 7.636 ( 6.218 3.413 -7.810) 10.550 7.711 ( -0.715 -2.203 -0.352) 2.343 7.950 ( -0.105 2.547 -3.101) 4.014 8.151 ( -4.975 -4.954 -1.806) 7.250 8.499 ( 3.743 8.525 0.811) 9.346 8.712 ( -1.519 -0.813 -4.231) 4.568 9.048 ( 13.310 6.255 3.635) 15.149 9.510 ( 19.446 7.744 3.468) 21.216 10.377 ( 9.533 1.313 7.136) 11.980 10.822 ( 8.769 0.149 -4.822) 10.008 11.155 ( -7.850 2.843 16.781) 18.743 11.699 ( -5.195 6.610 -8.224) 11.761 11.837 ( -2.025 2.966 -9.157) 9.836 12.106 ( -7.777 7.343 7.549) 13.092 12.371 ( -2.859 -4.325 10.905) 12.075 12.948 ( 9.817 -10.516 -9.875) 17.449 13.494 ( -4.694 5.289 -7.913) 10.612 13.663 ( -0.522 8.062 -12.012) 14.476 13.983 ( -6.734 -1.808 -1.081) 7.055 14.156 ( -8.494 -1.070 -3.001) 9.072 14.689 ( -0.800 0.093 3.915) 3.997 14.815 ( -2.667 -1.158 -1.325) 3.195 15.127 ( 4.936 -1.312 10.484) 11.662 15.469 ( 7.523 -1.547 6.706) 10.196 15.818 ( -4.968 1.087 2.428) 5.635 16.176 ( 6.414 1.694 4.221) 7.863 16.304 ( 4.590 5.146 2.376) 7.293 16.525 ( 1.396 -1.732 -5.139) 5.600 24.191 ( 1.206 1.023 0.185) 1.593 24.278 ( 2.478 -1.322 0.452) 2.845 24.324 ( -2.067 0.854 -0.727) 2.352 24.402 ( -0.025 -0.934 0.333) 0.992 25.596 ( -3.523 0.765 3.876) 5.294 25.788 ( -3.200 4.447 -3.017) 6.255 25.988 ( -4.934 2.640 -2.094) 5.975 26.035 ( -6.033 1.147 0.709) 6.182 26.553 ( 0.972 -0.943 4.632) 4.826 26.629 ( -1.159 -0.228 7.030) 7.129 26.783 ( 4.031 -13.515 -10.576) 17.628 26.977 ( 0.975 -8.124 -8.848) 12.051 28.321 ( -3.608 -1.660 6.053) 7.240 28.580 ( -4.505 0.810 -4.144) 6.174 29.523 ( 14.982 11.146 11.704) 22.038 29.677 ( 17.096 5.199 0.570) 17.878 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -3.700 -0.000 11.615) 12.190 1.074 ( -6.056 -0.000 17.507) 18.525 1.502 ( -3.141 -0.000 7.784) 8.394 1.625 ( -9.706 -0.000 15.979) 18.696 1.883 ( 11.900 0.000 -18.656) 22.128 2.096 ( -0.811 -0.000 -10.537) 10.568 2.493 ( -14.341 -0.000 41.334) 43.752 2.635 ( 7.808 0.000 -1.199) 7.900 2.764 ( 3.323 0.000 3.509) 4.833 2.896 ( 6.972 0.000 -3.361) 7.740 3.056 ( -1.226 -0.000 6.309) 6.427 3.299 ( 4.315 0.000 -1.409) 4.539 3.393 ( 5.526 0.000 2.370) 6.013 3.670 ( 6.203 0.000 3.475) 7.110 3.928 ( 3.364 0.000 -1.276) 3.598 3.930 ( -2.178 -0.000 2.118) 3.038 3.952 ( -7.235 -0.000 4.523) 8.533 4.108 ( -4.400 -0.000 -4.768) 6.488 4.252 ( -4.623 -0.000 -0.787) 4.690 4.414 ( 1.429 0.000 -4.363) 4.591 4.631 ( 2.050 0.000 -7.138) 7.426 4.710 ( -4.294 -0.000 -22.393) 22.801 4.915 ( -4.743 -0.000 0.767) 4.805 5.158 ( 0.227 0.000 -5.614) 5.618 5.581 ( -3.256 -0.000 15.850) 16.181 5.710 ( -1.660 -0.000 0.015) 1.660 5.786 ( -0.656 -0.000 4.625) 4.671 5.836 ( 0.853 0.000 3.393) 3.499 6.005 ( -15.237 -0.000 -8.040) 17.228 6.030 ( 0.305 0.000 -5.071) 5.080 6.148 ( -4.050 -0.000 4.814) 6.291 6.228 ( -4.719 -0.000 -4.999) 6.874 6.363 ( -0.895 -0.000 -7.973) 8.023 6.392 ( -2.613 -0.000 -3.293) 4.204 6.715 ( 2.720 0.000 0.399) 2.749 6.783 ( -9.332 -0.000 7.656) 12.070 6.849 ( -3.871 -0.000 8.090) 8.969 7.096 ( 3.394 0.000 -1.853) 3.867 7.130 ( 2.545 0.000 2.810) 3.791 7.392 ( -0.292 -0.000 -7.754) 7.759 7.686 ( -2.215 -0.000 4.566) 5.075 7.726 ( 8.278 0.000 -9.657) 12.720 8.006 ( -0.724 -0.000 -2.760) 2.853 8.011 ( -3.356 -0.000 -4.278) 5.437 8.620 ( -0.227 -0.000 1.744) 1.759 8.683 ( 1.057 0.000 -6.956) 7.035 9.226 ( 11.736 0.000 8.852) 14.700 9.809 ( 21.422 0.000 -2.182) 21.532 10.491 ( 10.850 0.000 6.718) 12.762 10.888 ( 5.712 0.000 -4.969) 7.570 11.112 ( -10.523 -0.000 17.564) 20.475 11.722 ( -2.528 -0.000 -11.298) 11.577 11.839 ( -0.009 -0.000 -9.464) 9.464 12.125 ( -10.326 -0.000 -2.476) 10.619 12.314 ( -3.273 -0.000 24.889) 25.103 12.881 ( 7.536 0.000 -6.223) 9.773 13.480 ( -6.334 -0.000 -6.037) 8.750 13.754 ( -2.082 -0.000 -17.289) 17.414 13.901 ( -2.037 -0.000 -0.149) 2.043 14.102 ( -5.084 -0.000 -0.867) 5.157 14.684 ( -1.006 -0.000 4.851) 4.954 14.779 ( -1.368 -0.000 -0.960) 1.671 15.166 ( 4.680 0.000 12.250) 13.114 15.522 ( 6.204 0.000 11.828) 13.356 15.779 ( -5.753 -0.000 -1.754) 6.014 16.264 ( 8.510 0.000 3.747) 9.298 16.389 ( -5.236 -0.000 -13.074) 14.084 16.541 ( 10.182 0.000 0.440) 10.191 24.216 ( 1.563 0.000 0.185) 1.574 24.286 ( 2.724 0.000 1.015) 2.907 24.315 ( -2.158 -0.000 -0.894) 2.336 24.386 ( -0.774 -0.000 0.252) 0.814 25.577 ( -3.838 -0.000 5.156) 6.428 25.776 ( -9.863 -0.000 -7.766) 12.553 25.971 ( -1.767 -0.000 -2.313) 2.911 26.004 ( -4.131 -0.000 3.469) 5.394 26.563 ( 0.947 0.000 4.459) 4.559 26.583 ( 1.919 0.000 0.788) 2.075 26.705 ( 1.895 0.000 0.826) 2.067 26.876 ( 0.765 0.000 -7.406) 7.446 28.285 ( -2.617 -0.000 6.234) 6.761 28.548 ( -3.170 -0.000 -4.836) 5.782 29.794 ( 11.046 0.000 0.594) 11.062 29.911 ( 21.081 0.000 5.389) 21.759 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -4.084 -0.000 -2.187) 4.633 1.199 ( 4.084 0.000 2.187) 4.633 1.706 ( 14.546 0.000 -7.261) 16.258 1.706 ( -14.546 -0.000 7.261) 16.258 1.766 ( -4.181 -0.000 -5.798) 7.148 1.766 ( 4.181 0.000 5.798) 7.148 2.731 ( 2.030 0.000 -0.856) 2.203 2.731 ( -2.030 -0.000 0.856) 2.203 2.965 ( 5.976 0.000 -2.938) 6.659 2.965 ( -5.976 -0.000 2.938) 6.659 3.407 ( -3.751 -0.000 -2.056) 4.277 3.407 ( 3.751 0.000 2.056) 4.277 3.557 ( 1.850 0.000 -41.525) 41.566 3.557 ( -1.850 -0.000 41.525) 41.566 3.845 ( -8.384 -0.000 -0.748) 8.417 3.845 ( 8.384 0.000 0.748) 8.417 4.028 ( -5.610 -0.000 -2.095) 5.988 4.028 ( 5.610 0.000 2.095) 5.988 4.191 ( -3.778 -0.000 -12.400) 12.963 4.191 ( 3.778 0.000 12.400) 12.963 4.495 ( 4.013 0.000 -7.042) 8.105 4.495 ( -4.013 -0.000 7.042) 8.105 4.985 ( -1.625 -0.000 -7.480) 7.655 4.985 ( 1.625 0.000 7.480) 7.655 5.690 ( -2.303 -0.000 -0.374) 2.334 5.690 ( 2.303 0.000 0.374) 2.334 5.857 ( 2.950 0.000 -11.097) 11.482 5.857 ( -2.950 -0.000 11.097) 11.482 5.908 ( 3.274 0.000 -2.606) 4.185 5.908 ( -3.274 -0.000 2.606) 4.185 6.197 ( 8.712 0.000 -3.368) 9.340 6.197 ( -8.712 -0.000 3.368) 9.340 6.264 ( 0.479 0.000 -0.563) 0.739 6.264 ( -0.479 -0.000 0.563) 0.739 6.747 ( 7.585 0.000 -4.380) 8.759 6.747 ( -7.585 -0.000 4.380) 8.759 7.011 ( 3.048 0.000 -9.483) 9.961 7.011 ( -3.048 -0.000 9.483) 9.961 7.271 ( -2.001 -0.000 -5.131) 5.507 7.271 ( 2.001 0.000 5.131) 5.507 7.736 ( 8.711 0.000 -5.405) 10.252 7.736 ( -8.711 -0.000 5.405) 10.252 7.908 ( 1.095 0.000 -1.344) 1.733 7.908 ( -1.095 -0.000 1.344) 1.733 8.619 ( 2.564 0.000 -2.012) 3.259 8.619 ( -2.564 -0.000 2.012) 3.259 9.680 ( -7.156 -0.000 -13.931) 15.661 9.680 ( 7.156 0.000 13.931) 15.661 10.788 ( -3.910 -0.000 -6.677) 7.738 10.788 ( 3.910 0.000 6.677) 7.738 11.352 ( 8.000 0.000 -20.673) 22.167 11.352 ( -8.000 -0.000 20.673) 22.167 11.910 ( -7.541 -0.000 -2.463) 7.933 11.910 ( 7.541 0.000 2.463) 7.933 12.751 ( 7.725 0.000 -21.367) 22.720 12.751 ( -7.725 -0.000 21.367) 22.720 13.420 ( -3.010 -0.000 -3.608) 4.699 13.420 ( 3.010 0.000 3.608) 4.699 13.972 ( -4.394 -0.000 -2.535) 5.073 13.972 ( 4.394 0.000 2.535) 5.073 14.749 ( 1.321 0.000 -2.801) 3.097 14.749 ( -1.321 -0.000 2.801) 3.097 15.513 ( -4.852 -0.000 -10.667) 11.718 15.513 ( 4.852 0.000 10.667) 11.718 15.970 ( -4.211 -0.000 -17.073) 17.585 15.970 ( 4.211 0.000 17.073) 17.585 16.480 ( -4.985 -0.000 -4.824) 6.937 16.480 ( 4.985 0.000 4.824) 6.937 24.260 ( -1.940 -0.000 -0.847) 2.116 24.260 ( 1.940 0.000 0.847) 2.116 24.353 ( -2.237 -0.000 -0.730) 2.353 24.353 ( 2.237 0.000 0.730) 2.353 25.615 ( 2.016 0.000 -3.737) 4.246 25.615 ( -2.016 -0.000 3.737) 4.246 25.970 ( 3.655 0.000 -1.304) 3.880 25.970 ( -3.655 -0.000 1.304) 3.880 26.668 ( -0.397 -0.000 -2.339) 2.372 26.668 ( 0.397 0.000 2.339) 2.372 26.718 ( 0.799 0.000 -6.890) 6.936 26.718 ( -0.799 -0.000 6.890) 6.936 28.397 ( 0.079 0.000 -6.327) 6.328 28.397 ( -0.079 -0.000 6.327) 6.328 29.989 ( -4.359 -0.000 -3.516) 5.600 29.989 ( 4.359 0.000 3.516) 5.600 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -2.662 0.478 -3.895) 4.742 1.216 ( 3.391 1.032 2.117) 4.129 1.635 ( -13.923 -7.808 22.605) 27.673 1.799 ( 8.883 -5.085 -20.197) 22.642 1.899 ( -2.513 -10.035 14.677) 17.956 1.992 ( 12.002 -8.908 -16.355) 22.156 2.610 ( -4.087 7.273 -0.370) 8.351 2.625 ( -2.677 5.235 0.640) 5.915 2.992 ( -3.485 -4.477 0.131) 5.675 3.036 ( 2.936 -1.362 -3.444) 4.726 3.309 ( -5.543 3.545 0.655) 6.612 3.354 ( -0.702 5.135 -3.353) 6.173 3.568 ( 2.069 0.273 -16.350) 16.483 3.610 ( 0.266 -1.225 21.162) 21.199 3.742 ( -6.037 -0.611 -7.358) 9.537 3.887 ( 6.968 0.654 5.380) 8.828 4.095 ( -6.197 -7.519 2.133) 9.975 4.198 ( 3.713 -9.744 1.650) 10.557 4.231 ( -2.836 -9.738 -9.728) 14.054 4.303 ( 3.396 -3.811 4.069) 6.528 4.512 ( -3.314 -4.882 9.938) 11.557 4.589 ( 7.903 -5.549 -4.709) 10.744 4.979 ( -0.719 -0.809 -5.341) 5.450 5.073 ( 8.193 -4.517 2.461) 9.674 5.633 ( -1.260 3.846 1.171) 4.213 5.680 ( 3.729 3.676 1.252) 5.384 5.765 ( -0.093 5.511 -5.655) 7.897 5.786 ( 0.506 4.652 6.437) 7.958 5.916 ( -3.841 2.848 3.654) 6.018 5.987 ( 5.019 0.212 -1.737) 5.316 6.082 ( 0.812 1.466 1.258) 2.096 6.101 ( 3.185 -2.845 -4.003) 5.853 6.456 ( -5.386 -11.530 3.138) 13.108 6.558 ( 6.929 -14.622 -4.599) 16.822 6.692 ( -4.817 -0.028 6.152) 7.814 6.808 ( 9.102 0.456 -5.072) 10.430 6.992 ( -1.103 0.171 -0.172) 1.130 7.026 ( 2.618 0.029 -1.372) 2.955 7.270 ( -2.607 -1.735 0.715) 3.212 7.304 ( 1.190 -1.031 -0.115) 1.578 7.655 ( -9.226 -0.033 2.133) 9.470 7.773 ( 3.764 0.887 -4.357) 5.826 7.903 ( -1.954 -0.532 -0.462) 2.078 7.973 ( 5.589 -2.698 3.219) 6.991 8.554 ( -3.845 4.445 0.350) 5.887 8.623 ( 3.938 1.737 -0.389) 4.322 9.448 ( -14.948 11.287 -7.904) 20.330 9.617 ( 0.214 9.923 9.098) 13.464 10.718 ( -8.251 0.693 -7.883) 11.433 10.809 ( -1.261 -0.857 5.779) 5.976 11.275 ( -3.236 6.077 17.102) 18.436 11.378 ( 11.720 4.183 -16.885) 20.975 11.820 ( -5.517 2.887 0.048) 6.227 11.967 ( 9.710 1.094 0.374) 9.778 12.749 ( -9.190 -3.430 12.899) 16.205 12.831 ( 3.761 -3.297 -14.589) 15.422 13.353 ( -0.486 3.700 0.833) 3.823 13.409 ( 5.475 3.851 2.174) 7.038 13.949 ( -0.514 -0.928 -2.066) 2.322 14.005 ( 5.028 0.592 1.360) 5.243 14.743 ( -0.045 0.314 1.057) 1.104 14.755 ( 1.562 0.389 -1.564) 2.244 15.452 ( -5.875 0.053 -9.702) 11.342 15.539 ( 0.363 1.685 9.666) 9.818 15.928 ( -2.104 -0.778 -12.184) 12.389 16.025 ( 4.471 0.289 13.313) 14.046 16.415 ( -8.039 0.449 -1.310) 8.158 16.516 ( 2.662 0.149 0.985) 2.842 24.229 ( -2.091 1.036 -0.490) 2.385 24.268 ( 2.210 0.759 0.680) 2.434 24.342 ( -2.671 -0.864 -0.877) 2.941 24.383 ( 1.753 -0.872 0.585) 2.043 25.602 ( 0.453 1.220 0.539) 1.409 25.641 ( 4.506 0.170 -0.170) 4.512 25.942 ( -2.821 0.244 0.889) 2.968 26.003 ( 4.717 0.450 -1.030) 4.849 26.646 ( -2.174 -1.485 0.063) 2.634 26.679 ( 1.638 -2.052 -0.049) 2.626 26.792 ( -2.246 -6.249 1.204) 6.749 26.825 ( 1.974 -7.042 -2.872) 7.857 28.402 ( 1.305 -0.664 -5.424) 5.619 28.418 ( 1.454 -0.724 5.558) 5.790 29.810 ( -10.487 9.929 0.300) 14.445 29.882 ( -3.007 10.789 1.316) 11.277 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.093 -3.226 -1.915) 3.907 1.267 ( 3.410 -3.140 2.869) 5.452 1.780 ( -9.310 -10.540 15.254) 20.748 1.926 ( 1.858 -3.303 -3.391) 5.085 2.028 ( 4.045 -3.302 -2.076) 5.619 2.209 ( 10.084 -4.958 -11.345) 15.968 2.527 ( -1.732 -4.015 -10.137) 11.040 2.599 ( -1.410 -4.533 8.154) 9.435 2.999 ( -3.231 1.677 0.135) 3.643 3.024 ( 0.463 3.546 -5.402) 6.478 3.220 ( -5.864 2.515 1.313) 6.514 3.252 ( -6.277 0.175 0.138) 6.281 3.483 ( 3.216 5.060 -3.087) 6.744 3.576 ( -0.566 6.360 10.441) 12.239 3.860 ( -1.138 -11.720 -18.370) 21.820 3.962 ( 0.283 -0.215 7.732) 7.740 4.164 ( -2.011 -5.296 5.276) 7.741 4.331 ( 6.638 -2.683 0.170) 7.162 4.402 ( 0.935 -7.713 -4.871) 9.170 4.496 ( -2.534 -13.619 7.482) 15.744 4.640 ( -0.663 -10.638 -6.588) 12.530 4.829 ( 6.379 -10.012 9.491) 15.199 5.002 ( -0.853 -3.913 -4.572) 6.078 5.280 ( 9.600 -7.023 -0.025) 11.895 5.549 ( -1.994 4.515 5.761) 7.586 5.620 ( 4.304 4.427 -6.951) 9.298 5.656 ( -2.379 5.400 2.334) 6.346 5.681 ( -1.684 5.329 0.316) 5.598 5.861 ( -0.110 1.776 3.521) 3.945 5.953 ( 5.174 2.730 -0.540) 5.875 6.194 ( 3.851 -5.913 -2.258) 7.409 6.224 ( 3.322 -5.458 -0.502) 6.410 6.517 ( -5.367 -0.546 7.228) 9.019 6.707 ( 0.796 -0.627 -2.053) 2.289 6.823 ( 2.960 -4.771 2.710) 6.235 6.922 ( 4.962 -9.685 -4.983) 11.969 7.017 ( 3.513 -2.293 -5.797) 7.155 7.065 ( 1.420 -2.668 3.345) 4.508 7.254 ( -1.612 2.098 2.238) 3.465 7.316 ( 0.775 0.617 -4.440) 4.549 7.607 ( -7.573 -2.584 -0.188) 8.004 7.769 ( -1.462 0.093 -1.442) 2.055 7.897 ( -1.551 -0.594 0.397) 1.707 8.076 ( 7.172 -1.095 5.870) 9.333 8.385 ( -5.117 8.208 -1.742) 9.828 8.623 ( 6.133 3.560 -0.669) 7.123 9.058 ( -16.446 11.500 -1.625) 20.133 9.393 ( -2.077 11.685 1.635) 11.980 10.587 ( -11.075 3.322 -5.743) 12.911 10.837 ( -5.705 -4.715 3.592) 8.227 11.126 ( 3.710 10.091 8.973) 14.004 11.356 ( 11.460 5.932 -9.025) 15.747 11.706 ( -4.565 4.591 2.479) 6.932 12.039 ( 10.440 1.417 -1.532) 10.647 12.697 ( -8.690 1.518 -1.962) 9.038 12.838 ( -1.892 2.056 3.112) 4.182 13.336 ( 0.836 -2.050 0.320) 2.237 13.441 ( 4.827 -2.476 0.149) 5.427 13.952 ( 1.001 1.395 0.037) 1.717 14.107 ( 9.322 -5.111 -1.049) 10.683 14.727 ( 0.310 1.365 -2.526) 2.888 14.767 ( 2.550 0.058 2.021) 3.255 15.381 ( -5.499 1.014 -8.166) 9.897 15.477 ( -3.913 3.891 7.313) 9.162 15.919 ( -1.444 -0.371 -3.834) 4.114 16.081 ( 5.518 -0.535 4.767) 7.312 16.327 ( -9.160 0.692 4.139) 10.075 16.519 ( 1.621 1.282 -3.587) 4.140 24.192 ( -1.741 0.879 -0.379) 1.986 24.277 ( 2.585 0.524 0.453) 2.676 24.333 ( -2.845 -0.745 -0.514) 2.986 24.409 ( 0.920 -0.400 0.485) 1.114 25.580 ( 0.669 1.368 -0.287) 1.550 25.672 ( 3.979 0.784 1.470) 4.314 25.917 ( -1.692 0.247 0.854) 1.911 26.015 ( 4.530 2.481 -2.428) 5.707 26.700 ( -2.221 -5.375 3.710) 6.898 26.768 ( 1.921 -4.879 -0.613) 5.279 26.887 ( -3.330 -5.369 4.540) 7.780 26.967 ( 2.522 -5.786 -8.718) 10.763 28.430 ( 2.053 -1.277 -3.523) 4.272 28.463 ( 2.787 -1.346 3.685) 4.812 29.502 ( -11.058 10.897 3.805) 15.985 29.603 ( -5.636 12.233 -2.399) 13.681 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.337 -5.046 -2.014) 5.443 1.377 ( 3.170 -3.815 2.549) 5.577 1.734 ( -6.714 4.358 4.904) 9.388 2.039 ( -1.858 -2.191 2.575) 3.858 2.181 ( 7.962 -10.535 1.518) 13.292 2.363 ( 8.963 -4.286 -12.577) 16.027 2.659 ( -2.499 -9.195 -8.320) 12.649 2.720 ( -1.633 -4.797 7.316) 8.899 2.895 ( -2.640 3.881 1.746) 5.008 2.931 ( -0.763 3.738 -4.143) 5.632 3.062 ( -3.262 7.805 0.240) 8.463 3.243 ( -4.717 -0.907 7.098) 8.571 3.448 ( 0.963 3.086 -1.557) 3.588 3.483 ( 3.113 1.071 -2.319) 4.027 3.842 ( -6.127 5.392 -0.748) 8.196 4.038 ( -1.053 -5.101 -1.458) 5.408 4.227 ( 3.405 -0.639 1.732) 3.874 4.484 ( 0.382 -6.454 -4.357) 7.797 4.604 ( 1.130 -6.653 2.955) 7.367 4.656 ( 6.318 -7.353 6.686) 11.776 4.904 ( -1.641 -14.313 -9.397) 17.201 5.046 ( 0.822 -9.968 7.290) 12.376 5.122 ( 1.549 -6.514 -2.265) 7.068 5.390 ( 0.393 6.538 -0.889) 6.610 5.447 ( -0.973 0.029 1.679) 1.941 5.520 ( -2.334 4.218 3.328) 5.858 5.601 ( -1.976 0.298 -0.907) 2.194 5.615 ( 4.594 1.762 -0.745) 4.977 5.801 ( 2.276 5.392 -1.563) 6.057 5.991 ( 3.171 -1.186 2.876) 4.442 6.319 ( 3.226 -3.583 -0.568) 4.855 6.330 ( 2.343 -2.684 -1.272) 3.783 6.505 ( -4.490 -2.660 7.435) 9.084 6.661 ( 2.791 5.717 -6.297) 8.951 6.906 ( 1.621 -3.228 8.385) 9.130 7.057 ( 0.950 -1.678 -2.418) 3.092 7.129 ( -2.712 -4.160 4.329) 6.588 7.156 ( 4.013 -1.218 -6.834) 8.018 7.194 ( 0.863 0.788 -6.561) 6.664 7.322 ( 1.099 -3.215 -3.221) 4.682 7.599 ( -3.791 -1.489 -0.559) 4.111 7.748 ( -3.489 0.018 3.442) 4.901 7.903 ( 0.198 -0.393 1.736) 1.791 8.148 ( 5.243 0.704 7.234) 8.962 8.205 ( -1.677 4.456 -3.919) 6.167 8.513 ( -1.336 9.881 -2.438) 10.264 8.826 ( -6.935 1.877 0.213) 7.188 9.182 ( -1.343 7.406 -0.851) 7.574 10.412 ( -8.367 4.143 -2.217) 9.596 10.890 ( -9.974 -7.171 1.725) 12.405 11.006 ( 10.386 9.225 2.452) 14.107 11.353 ( 7.080 1.928 -3.811) 8.268 11.580 ( -3.148 4.701 2.155) 6.054 12.064 ( 6.895 3.596 0.213) 7.779 12.582 ( -5.682 2.106 -5.646) 8.282 12.788 ( -1.843 1.238 6.152) 6.540 13.406 ( 0.359 -3.433 -0.425) 3.478 13.543 ( 2.118 -3.783 -0.089) 4.336 13.927 ( 0.464 1.548 0.142) 1.622 14.314 ( 10.061 -6.202 -0.444) 11.828 14.693 ( -1.034 1.446 -3.036) 3.518 14.801 ( 3.232 -0.537 2.363) 4.039 15.294 ( -4.864 2.402 -6.208) 8.245 15.366 ( -4.108 3.666 5.651) 7.890 15.904 ( -1.422 0.091 -0.789) 1.629 16.147 ( 6.369 -0.399 -0.749) 6.425 16.253 ( -8.108 -0.146 6.167) 10.188 16.494 ( 0.896 1.576 -3.781) 4.193 24.166 ( -1.001 0.446 -0.227) 1.119 24.292 ( 2.591 0.350 0.106) 2.616 24.320 ( -2.660 -0.532 -0.035) 2.713 24.418 ( 0.322 -0.019 0.254) 0.411 25.564 ( 0.346 0.705 -0.088) 0.790 25.684 ( 2.008 0.699 0.782) 2.265 25.908 ( -0.786 -0.294 1.114) 1.395 25.988 ( 2.478 2.781 -2.243) 4.348 26.790 ( -0.784 -4.201 0.779) 4.344 26.873 ( 0.954 -3.918 3.660) 5.446 26.944 ( -2.744 -2.689 4.586) 5.983 27.055 ( 1.955 -2.427 -9.513) 10.010 28.473 ( 1.880 -1.418 -1.597) 2.845 28.520 ( 2.774 -1.364 1.680) 3.519 29.251 ( -7.371 6.569 3.469) 10.464 29.360 ( -4.092 7.371 -2.651) 8.838 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -0.000 0.000 0.000) 0.000 1.435 ( -0.000 0.000 0.000) 0.000 1.641 ( -0.000 0.000 0.000) 0.000 2.048 ( -0.000 0.000 0.000) 0.000 2.398 ( -0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.675 ( -0.000 0.000 0.000) 0.000 2.721 ( -0.000 0.000 0.000) 0.000 2.910 ( -0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 2.930 ( -0.000 -0.000 -0.000) 0.000 3.194 ( -0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 -0.000) 0.000 3.476 ( -0.000 -0.000 0.000) 0.000 3.729 ( -0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.256 ( -0.000 0.000 0.000) 0.000 4.582 ( -0.000 0.000 0.000) 0.000 4.587 ( 0.000 -0.000 -0.000) 0.000 4.891 ( 0.000 -0.000 0.000) 0.000 4.968 ( -0.000 0.000 -0.000) 0.000 5.209 ( -0.000 -0.000 0.000) 0.000 5.245 ( -0.000 0.000 0.000) 0.000 5.256 ( -0.000 -0.000 -0.000) 0.000 5.420 ( 0.000 0.000 -0.000) 0.000 5.474 ( -0.000 0.000 0.000) 0.000 5.589 ( -0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 6.022 ( -0.000 0.000 0.000) 0.000 6.352 ( -0.000 0.000 0.000) 0.000 6.390 ( -0.000 0.000 0.000) 0.000 6.537 ( -0.000 -0.000 0.000) 0.000 6.580 ( 0.000 0.000 -0.000) 0.000 6.976 ( -0.000 0.000 -0.000) 0.000 7.066 ( 0.000 0.000 0.000) 0.000 7.118 ( -0.000 -0.000 0.000) 0.000 7.157 ( 0.000 0.000 -0.000) 0.000 7.210 ( -0.000 0.000 0.000) 0.000 7.387 ( -0.000 0.000 0.000) 0.000 7.608 ( -0.000 0.000 0.000) 0.000 7.721 ( -0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 8.128 ( -0.000 0.000 0.000) 0.000 8.225 ( -0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.778 ( -0.000 0.000 0.000) 0.000 9.108 ( -0.000 0.000 0.000) 0.000 10.327 ( -0.000 0.000 0.000) 0.000 10.930 ( -0.000 -0.000 0.000) 0.000 10.955 ( 0.000 0.000 0.000) 0.000 11.372 ( -0.000 0.000 0.000) 0.000 11.512 ( -0.000 0.000 0.000) 0.000 12.051 ( -0.000 0.000 0.000) 0.000 12.531 ( -0.000 0.000 0.000) 0.000 12.774 ( -0.000 0.000 0.000) 0.000 13.443 ( -0.000 0.000 0.000) 0.000 13.593 ( -0.000 0.000 0.000) 0.000 13.912 ( 0.000 0.000 0.000) 0.000 14.442 ( -0.000 0.000 0.000) 0.000 14.661 ( -0.000 0.000 0.000) 0.000 14.830 ( 0.000 0.000 0.000) 0.000 15.226 ( 0.000 0.000 -0.000) 0.000 15.315 ( -0.000 0.000 0.000) 0.000 15.896 ( 0.000 0.000 0.000) 0.000 16.200 ( -0.000 -0.000 0.000) 0.000 16.203 ( 0.000 0.000 -0.000) 0.000 16.478 ( -0.000 0.000 0.000) 0.000 24.157 ( -0.000 0.000 0.000) 0.000 24.306 ( -0.000 0.000 0.000) 0.000 24.309 ( 0.000 0.000 0.000) 0.000 24.419 ( 0.000 0.000 0.000) 0.000 25.559 ( -0.000 0.000 0.000) 0.000 25.686 ( -0.000 0.000 0.000) 0.000 25.911 ( -0.000 0.000 0.000) 0.000 25.965 ( -0.000 0.000 0.000) 0.000 26.830 ( -0.000 0.000 0.000) 0.000 26.923 ( -0.000 0.000 0.000) 0.000 26.959 ( 0.000 0.000 -0.000) 0.000 27.078 ( -0.000 0.000 0.000) 0.000 28.498 ( -0.000 0.000 0.000) 0.000 28.550 ( -0.000 0.000 0.000) 0.000 29.154 ( -0.000 0.000 0.000) 0.000 29.265 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -1.969 -0.000 -4.385) 4.807 1.251 ( -3.526 -0.000 -2.654) 4.413 1.474 ( -5.782 -0.000 23.018) 23.733 1.778 ( 5.580 0.000 -18.258) 19.092 1.786 ( 1.366 0.000 19.930) 19.977 2.004 ( 15.242 0.000 -21.611) 26.445 2.630 ( -9.106 -0.000 0.866) 9.147 2.677 ( -8.357 -0.000 0.835) 8.398 2.857 ( -7.015 -0.000 0.318) 7.023 3.050 ( 4.744 0.000 -6.032) 7.674 3.290 ( -8.722 -0.000 -0.813) 8.760 3.409 ( -4.383 -0.000 1.960) 4.802 3.528 ( 6.769 0.000 -37.740) 38.342 3.649 ( -0.093 -0.000 36.767) 36.767 3.726 ( -3.600 -0.000 -0.963) 3.727 3.936 ( -3.767 -0.000 -2.452) 4.495 3.976 ( 4.924 0.000 1.958) 5.300 4.046 ( -5.734 -0.000 3.577) 6.758 4.166 ( 7.389 0.000 -8.228) 11.059 4.252 ( -0.126 -0.000 10.285) 10.285 4.505 ( 3.172 0.000 4.458) 5.471 4.602 ( 8.286 0.000 -3.240) 8.897 4.993 ( 3.363 0.000 -6.618) 7.424 5.094 ( 8.773 0.000 0.566) 8.792 5.680 ( -0.193 -0.000 3.968) 3.972 5.738 ( 1.027 0.000 2.037) 2.281 5.850 ( -1.271 -0.000 11.299) 11.370 5.871 ( -0.171 -0.000 -0.080) 0.189 5.906 ( 4.582 0.000 -8.762) 9.888 5.970 ( 5.781 0.000 1.873) 6.077 6.124 ( 0.782 0.000 -0.266) 0.826 6.260 ( -0.144 -0.000 -2.510) 2.514 6.264 ( 1.068 0.000 1.333) 1.708 6.379 ( 12.347 0.000 -5.656) 13.581 6.672 ( -2.347 -0.000 3.801) 4.467 6.896 ( 9.138 0.000 -1.587) 9.275 6.994 ( -1.048 -0.000 6.484) 6.568 7.045 ( 3.443 0.000 -10.346) 10.904 7.206 ( -3.901 -0.000 -4.109) 5.666 7.297 ( -0.694 -0.000 4.465) 4.519 7.578 ( -9.889 -0.000 4.321) 10.792 7.779 ( -2.419 -0.000 -5.004) 5.558 7.941 ( 2.340 0.000 1.591) 2.829 7.974 ( 8.455 0.000 0.246) 8.459 8.582 ( -2.301 -0.000 3.041) 3.814 8.657 ( 2.231 0.000 -2.273) 3.185 9.407 ( -18.589 -0.000 -9.224) 20.751 9.665 ( -12.943 -0.000 11.303) 17.183 10.641 ( -9.007 -0.000 -8.837) 12.618 10.778 ( -6.320 -0.000 6.989) 9.423 11.351 ( 1.201 0.000 20.226) 20.262 11.490 ( 12.186 0.000 -21.389) 24.617 11.838 ( 1.095 0.000 -3.034) 3.226 12.057 ( 7.139 0.000 4.490) 8.434 12.645 ( -9.890 -0.000 19.050) 21.464 12.787 ( 2.478 0.000 -23.164) 23.296 13.411 ( 2.044 0.000 0.904) 2.235 13.527 ( 6.845 0.000 5.607) 8.849 13.929 ( 1.295 0.000 -3.219) 3.470 14.074 ( 6.367 0.000 1.932) 6.654 14.747 ( 0.612 0.000 2.422) 2.498 14.771 ( 2.042 0.000 -3.914) 4.414 15.375 ( -7.389 -0.000 -9.281) 11.863 15.554 ( -4.143 -0.000 7.592) 8.649 15.895 ( 0.899 0.000 -11.801) 11.836 16.087 ( 3.255 0.000 16.903) 17.214 16.344 ( -8.167 -0.000 -3.128) 8.746 16.518 ( -1.435 -0.000 1.203) 1.873 24.223 ( -1.965 -0.000 -0.498) 2.027 24.289 ( 0.233 0.000 1.001) 1.028 24.313 ( -1.129 -0.000 -0.946) 1.474 24.387 ( 1.384 0.000 0.142) 1.391 25.656 ( 5.199 0.000 5.448) 7.530 25.678 ( 5.112 0.000 -5.218) 7.305 25.923 ( -2.279 -0.000 2.704) 3.536 26.051 ( 6.319 0.000 -1.149) 6.422 26.639 ( -1.555 -0.000 -5.445) 5.662 26.661 ( -0.771 -0.000 -3.209) 3.300 26.725 ( 1.288 0.000 -3.784) 3.997 26.728 ( -0.496 -0.000 7.681) 7.697 28.408 ( 3.017 0.000 -6.352) 7.032 28.437 ( 2.760 0.000 6.638) 7.189 29.788 ( -17.033 -0.000 1.806) 17.128 29.932 ( -11.313 -0.000 1.587) 11.424 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -0.114 -0.366 -2.356) 2.387 1.225 ( -3.885 -3.725 2.432) 5.906 1.565 ( 2.298 -6.031 16.522) 17.738 1.870 ( 5.282 -4.895 -12.067) 14.052 1.955 ( 4.676 -8.802 9.202) 13.565 2.140 ( 8.621 -5.554 -20.369) 22.805 2.491 ( -9.165 3.671 -0.228) 9.875 2.538 ( -6.871 1.120 2.680) 7.459 2.889 ( -8.416 -6.432 -0.657) 10.613 3.071 ( 1.623 1.201 -7.647) 7.909 3.187 ( -8.136 0.832 1.504) 8.316 3.270 ( -6.582 6.140 -2.984) 9.483 3.608 ( 5.819 -0.737 -15.222) 16.313 3.667 ( 2.124 0.662 8.816) 9.093 3.689 ( 0.029 0.932 6.072) 6.143 3.966 ( -0.620 -2.023 6.342) 6.686 4.032 ( 0.008 -3.112 -0.623) 3.174 4.115 ( -5.614 -14.568 -0.669) 15.627 4.262 ( 1.666 -4.911 -3.166) 6.076 4.376 ( 3.705 -6.427 1.504) 7.570 4.533 ( 3.814 -0.474 8.562) 9.385 4.735 ( 8.087 -6.612 0.521) 10.459 4.997 ( 2.599 1.014 -3.356) 4.364 5.232 ( 8.632 -5.454 -3.809) 10.898 5.623 ( -1.037 4.216 4.044) 5.933 5.712 ( -1.452 2.990 0.837) 3.427 5.776 ( 3.027 6.693 -4.228) 8.476 5.834 ( 4.339 6.040 2.947) 7.999 5.894 ( 0.266 2.742 7.182) 7.693 6.081 ( 5.004 -0.299 1.003) 5.112 6.147 ( 6.729 2.347 -3.677) 8.019 6.164 ( 5.228 -3.023 -2.105) 6.396 6.410 ( -0.366 -8.427 4.663) 9.638 6.635 ( 0.772 -5.451 4.082) 6.854 6.704 ( 6.705 -8.727 -6.272) 12.667 6.906 ( 1.242 3.159 -0.590) 3.445 7.021 ( 5.295 -1.692 -4.161) 6.944 7.070 ( 2.854 0.321 -1.702) 3.338 7.224 ( -2.820 -4.155 0.414) 5.039 7.298 ( -2.432 -0.991 -0.214) 2.635 7.503 ( -7.843 -0.621 4.187) 8.912 7.747 ( -3.990 -0.271 -3.867) 5.563 7.908 ( 1.955 3.022 0.800) 3.687 8.113 ( 9.033 -3.186 2.821) 9.985 8.500 ( -2.034 6.350 -0.669) 6.701 8.679 ( 2.296 -0.554 -0.583) 2.433 9.124 ( -18.870 9.956 -3.883) 21.685 9.485 ( -16.166 4.703 5.267) 17.641 10.538 ( -8.960 1.613 -8.687) 12.583 10.722 ( -8.853 -0.929 5.318) 10.369 11.338 ( 3.943 6.089 17.324) 18.781 11.529 ( 9.493 3.570 -16.621) 19.471 11.815 ( 4.812 5.137 -1.525) 7.202 12.120 ( 6.910 -0.341 2.282) 7.285 12.601 ( -10.490 -1.827 10.730) 15.116 12.805 ( -2.294 -2.499 -13.852) 14.261 13.389 ( 3.422 3.769 3.487) 6.170 13.521 ( 5.483 4.935 2.383) 7.752 13.992 ( 6.412 -1.776 -2.269) 7.030 14.123 ( 8.016 -0.248 0.932) 8.074 14.757 ( 1.332 0.907 -0.703) 1.758 14.788 ( 2.766 -0.549 -0.836) 2.941 15.310 ( -7.424 -0.881 -8.147) 11.058 15.488 ( -8.093 1.713 4.634) 9.481 15.907 ( 1.695 -0.318 -5.362) 5.633 16.122 ( 1.674 -0.224 11.040) 11.168 16.267 ( -7.053 0.919 1.877) 7.356 16.513 ( -2.144 -1.154 -3.000) 3.864 24.196 ( -1.437 0.890 -0.348) 1.726 24.288 ( -2.432 -0.933 -0.448) 2.643 24.310 ( 1.609 0.544 0.566) 1.790 24.404 ( 0.541 -0.615 0.098) 0.825 25.651 ( 3.942 3.602 -0.368) 5.353 25.729 ( 4.546 0.660 1.839) 4.948 25.913 ( -0.402 0.188 2.960) 2.993 26.105 ( 7.404 1.328 -3.082) 8.129 26.605 ( -2.647 -1.703 1.020) 3.309 26.695 ( 0.095 -3.477 -2.304) 4.172 26.763 ( -0.947 -4.837 1.377) 5.117 26.842 ( 1.075 -7.327 -4.209) 8.518 28.436 ( 4.223 -0.401 -5.603) 7.028 28.481 ( 4.161 -0.557 5.912) 7.251 29.560 ( -17.707 6.744 5.296) 19.674 29.723 ( -13.984 8.225 -2.549) 16.422 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 1.914 -3.371 0.049) 3.877 1.323 ( 1.873 -5.455 1.717) 6.018 1.701 ( -2.622 -3.476 9.702) 10.634 1.961 ( 1.028 -2.300 -1.973) 3.200 2.112 ( 6.460 -4.928 -1.179) 8.210 2.310 ( 5.269 -6.415 -12.970) 15.399 2.471 ( -2.150 -7.085 -7.733) 10.706 2.585 ( -1.348 -8.135 7.598) 11.213 2.893 ( -9.274 -0.986 2.130) 9.567 2.990 ( -2.355 4.261 -8.752) 10.015 3.124 ( -5.205 1.143 -1.146) 5.451 3.169 ( -1.771 -1.052 -0.262) 2.076 3.566 ( -3.216 8.075 12.974) 15.616 3.586 ( 8.450 4.534 -3.750) 10.297 3.768 ( -5.859 -4.578 -8.517) 11.306 3.989 ( 1.005 0.589 3.825) 3.999 4.175 ( 2.356 -10.104 3.051) 10.814 4.350 ( -2.297 -5.576 -1.341) 6.178 4.424 ( -3.068 -18.538 -0.376) 18.794 4.516 ( 7.100 -4.767 -2.585) 8.934 4.648 ( 2.803 -7.917 2.928) 8.894 4.939 ( 1.688 -5.150 6.572) 8.518 5.036 ( 5.471 -4.770 -2.513) 7.681 5.378 ( 0.164 -4.408 -1.074) 4.540 5.547 ( 1.920 5.387 -0.574) 5.748 5.624 ( -1.750 4.232 2.126) 5.049 5.667 ( 1.995 7.437 -0.313) 7.707 5.698 ( 5.651 6.716 -3.690) 9.521 5.904 ( 2.849 0.821 8.001) 8.533 6.049 ( 5.336 4.264 -2.654) 7.328 6.257 ( 0.892 -3.902 2.591) 4.768 6.282 ( 5.676 -4.943 -3.681) 8.379 6.476 ( -2.134 0.663 5.721) 6.142 6.700 ( -0.899 -1.865 0.611) 2.158 6.882 ( 3.226 -1.782 2.293) 4.341 6.982 ( 3.507 -10.463 -5.411) 12.290 7.062 ( -0.516 1.551 1.906) 2.511 7.092 ( 2.422 -2.123 -4.450) 5.494 7.251 ( 0.594 0.132 -10.618) 10.635 7.290 ( -1.448 -0.729 3.889) 4.213 7.522 ( -1.870 -4.491 4.587) 6.687 7.713 ( -3.443 -0.358 0.061) 3.462 7.884 ( -0.626 0.158 1.197) 1.360 8.220 ( 6.886 0.365 6.046) 9.171 8.334 ( 0.677 8.489 -5.705) 10.251 8.681 ( -1.361 6.665 -0.393) 6.814 8.784 ( -11.939 3.974 0.049) 12.583 9.265 ( -11.513 5.333 0.299) 12.692 10.403 ( -7.699 3.157 -5.386) 9.912 10.693 ( -10.189 -4.131 2.131) 11.199 11.257 ( 7.114 8.158 9.735) 14.558 11.491 ( 6.281 5.278 -8.725) 11.977 11.719 ( 4.834 8.575 1.034) 9.898 12.167 ( 3.363 2.040 -0.329) 3.948 12.546 ( -6.770 -0.362 -0.128) 6.781 12.781 ( -4.822 0.138 0.924) 4.912 13.384 ( 4.212 0.032 -0.513) 4.243 13.512 ( 2.860 -0.443 1.475) 3.248 14.018 ( 6.493 3.832 0.117) 7.540 14.280 ( 9.821 -5.925 -0.486) 11.480 14.727 ( 0.548 2.451 -2.501) 3.544 14.832 ( 4.307 -0.345 1.232) 4.493 15.249 ( -7.262 -0.317 -7.429) 10.394 15.377 ( -8.870 2.248 4.945) 10.401 15.905 ( 0.438 0.680 -2.034) 2.189 16.155 ( -4.497 -1.969 4.609) 6.733 16.214 ( 1.238 0.907 4.752) 4.994 16.505 ( -1.584 -0.020 -4.567) 4.834 24.171 ( -0.482 0.690 -0.322) 0.901 24.282 ( -2.846 -0.894 -0.194) 2.989 24.320 ( 2.094 0.332 0.451) 2.168 24.414 ( -0.321 -0.317 0.158) 0.478 25.612 ( 2.455 2.930 -0.223) 3.829 25.727 ( 1.440 1.930 1.097) 2.646 25.913 ( 1.368 0.701 3.302) 3.642 26.090 ( 4.510 4.778 -4.746) 8.105 26.678 ( -1.714 -6.255 6.127) 8.922 26.781 ( -0.504 -5.293 -3.287) 6.251 26.861 ( -0.530 -5.087 5.926) 7.827 26.976 ( 1.260 -5.852 -9.988) 11.645 28.479 ( 4.509 -0.511 -3.745) 5.884 28.539 ( 4.680 -0.470 3.917) 6.121 29.294 ( -13.357 6.255 6.147) 15.978 29.441 ( -11.080 7.741 -4.587) 14.273 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 3.259 -4.362 0.205) 5.448 1.420 ( 0.983 -2.328 -0.363) 2.553 1.680 ( -0.490 2.659 3.542) 4.456 1.977 ( -6.144 -2.932 3.953) 7.872 2.328 ( 7.720 -7.686 -4.617) 11.832 2.445 ( 3.267 -3.448 -9.043) 10.215 2.579 ( -3.527 -5.860 -2.111) 7.158 2.728 ( 1.829 -2.251 6.123) 6.775 2.820 ( -7.282 -2.604 1.958) 7.978 2.906 ( 1.750 0.639 -7.245) 7.481 3.076 ( 3.026 5.195 -2.064) 6.356 3.194 ( -2.929 -1.711 5.260) 6.259 3.410 ( -3.138 3.288 4.716) 6.550 3.592 ( 7.624 3.187 -7.526) 11.177 3.705 ( -7.809 0.364 -0.364) 7.826 4.002 ( -3.731 -1.741 4.025) 5.758 4.326 ( 6.056 -0.592 3.891) 7.222 4.479 ( -0.186 -8.108 -3.200) 8.719 4.564 ( -2.935 -2.312 4.116) 5.559 4.819 ( 4.991 -15.210 -4.258) 16.564 4.843 ( 0.316 -6.017 -3.613) 7.025 5.042 ( -2.385 -10.237 5.023) 11.649 5.182 ( 4.388 -3.495 -1.644) 5.846 5.389 ( -3.363 2.011 3.083) 4.986 5.451 ( 4.392 6.071 -0.769) 7.533 5.509 ( 1.933 4.741 -1.491) 5.333 5.588 ( 0.269 2.188 1.430) 2.628 5.684 ( 3.328 1.781 -0.977) 3.899 5.869 ( 4.211 7.113 0.705) 8.295 6.019 ( -0.998 0.626 1.584) 1.974 6.319 ( -1.805 -2.655 2.534) 4.090 6.392 ( 1.824 -0.722 -0.914) 2.164 6.439 ( -2.162 -1.710 4.181) 5.008 6.666 ( -1.104 2.651 -6.430) 7.042 6.966 ( -2.083 -2.254 7.250) 7.873 7.024 ( -1.464 0.954 -1.631) 2.390 7.092 ( 0.774 -1.627 2.345) 2.957 7.146 ( -2.972 -2.364 -2.168) 4.373 7.242 ( 5.427 0.561 -12.174) 13.340 7.358 ( 3.975 -3.885 -0.901) 5.631 7.598 ( 3.225 -2.452 2.285) 4.651 7.718 ( -1.201 -1.151 5.697) 5.935 7.884 ( -2.316 -1.004 -0.450) 2.564 8.188 ( -0.862 4.740 -3.552) 5.985 8.250 ( 3.284 2.672 0.756) 4.300 8.445 ( -1.986 8.303 4.132) 9.484 8.759 ( -1.753 -1.292 -1.155) 2.465 9.104 ( -7.104 2.424 -0.690) 7.538 10.315 ( -1.539 0.140 -2.532) 2.966 10.700 ( -11.689 -6.158 0.987) 13.249 11.189 ( 9.482 7.360 2.645) 12.291 11.427 ( 2.137 4.340 -2.549) 5.468 11.602 ( 4.989 6.994 0.467) 8.604 12.073 ( -6.059 4.936 -0.146) 7.817 12.537 ( 1.989 -0.882 -0.666) 2.276 12.751 ( -3.352 -0.829 2.184) 4.086 13.438 ( 3.498 -1.491 -3.273) 5.017 13.562 ( -0.250 -2.321 2.247) 3.241 13.994 ( 6.871 4.457 0.910) 8.240 14.426 ( 1.074 -1.885 -0.542) 2.236 14.688 ( 2.115 1.682 0.092) 2.703 14.858 ( 2.325 1.609 -0.399) 2.856 15.190 ( -4.430 -1.241 -5.676) 7.306 15.294 ( -5.400 -0.257 4.426) 6.987 15.901 ( 1.486 0.071 -1.792) 2.329 16.129 ( -7.422 -1.249 5.533) 9.341 16.256 ( 5.992 -0.115 -0.305) 6.001 16.478 ( -1.664 0.615 -2.464) 3.037 24.162 ( 0.620 0.221 -0.192) 0.686 24.273 ( -2.787 -0.732 0.155) 2.886 24.333 ( 2.020 0.216 0.041) 2.032 24.413 ( -0.810 -0.174 0.097) 0.834 25.585 ( 1.819 1.783 0.068) 2.548 25.697 ( -0.712 1.396 0.200) 1.579 25.916 ( 1.385 0.638 2.610) 3.022 26.018 ( 1.441 4.182 -3.398) 5.578 26.785 ( -0.349 -4.463 3.037) 5.410 26.861 ( -2.078 -4.118 -1.606) 4.884 26.951 ( 1.034 -2.755 8.575) 9.066 27.054 ( 0.822 -2.534 -10.360) 10.697 28.513 ( 3.121 0.395 -1.708) 3.579 28.572 ( 2.363 1.056 1.820) 3.164 29.141 ( -5.632 0.987 3.754) 6.840 29.259 ( -6.120 2.188 -3.070) 7.188 ======================= Grid point 212 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 1.431 2.045 3.089) 3.971 1.413 ( -1.892 2.284 -3.132) 4.314 1.701 ( 6.737 -3.270 -1.759) 7.693 1.990 ( -6.844 -3.717 2.906) 8.313 2.342 ( -2.372 8.539 -7.537) 11.633 2.390 ( -5.741 4.507 7.877) 10.739 2.709 ( 4.005 -7.530 -2.881) 9.002 2.816 ( 3.047 -1.656 0.072) 3.469 2.891 ( 1.927 -2.500 -6.363) 7.103 2.927 ( 1.540 3.852 10.867) 11.631 2.946 ( 1.050 1.472 -4.279) 4.645 3.192 ( -1.854 -4.282 0.179) 4.669 3.424 ( -1.021 -1.583 2.098) 2.820 3.508 ( -0.519 4.517 -2.792) 5.335 3.763 ( 4.768 -5.854 -1.230) 7.650 4.003 ( -6.647 -3.058 1.678) 7.507 4.339 ( 6.876 5.406 5.431) 10.296 4.553 ( -1.519 1.324 4.042) 4.516 4.595 ( -0.884 -4.241 -4.463) 6.220 4.736 ( -9.649 7.610 -5.698) 13.545 5.081 ( 6.974 -2.022 0.743) 7.299 5.213 ( -0.223 1.880 1.737) 2.569 5.276 ( 1.618 3.750 1.464) 4.339 5.288 ( 4.025 -1.624 -4.102) 5.972 5.411 ( -1.254 -2.292 4.176) 4.926 5.460 ( -1.928 -0.372 -2.485) 3.167 5.570 ( 0.681 1.191 1.444) 1.992 5.652 ( 1.064 3.029 -0.931) 3.343 5.778 ( 4.078 3.272 0.444) 5.247 5.983 ( -4.199 1.177 -1.146) 4.509 6.328 ( -3.192 -0.133 2.948) 4.347 6.349 ( -2.652 1.890 -1.690) 3.669 6.527 ( -0.280 -5.259 6.131) 8.083 6.595 ( 0.685 3.295 -8.728) 9.354 6.943 ( -0.348 1.832 -1.240) 2.240 7.031 ( -5.262 -3.589 6.121) 8.834 7.090 ( -0.726 0.340 -3.355) 3.450 7.140 ( -3.479 -0.846 0.632) 3.636 7.293 ( 7.963 2.451 -0.718) 8.362 7.401 ( 1.195 2.913 -0.403) 3.174 7.663 ( 4.576 0.621 4.526) 6.466 7.753 ( 3.282 -2.041 -1.134) 4.028 7.876 ( -2.314 -0.949 -2.601) 3.608 8.084 ( -8.116 0.629 -4.926) 9.515 8.228 ( 5.883 2.675 1.000) 6.539 8.395 ( -0.180 -1.966 5.023) 5.397 8.815 ( 4.730 -4.046 -1.312) 6.361 9.054 ( -5.925 -3.513 0.618) 6.916 10.385 ( 6.465 -5.134 -0.484) 8.270 10.732 ( -12.112 -8.098 0.426) 14.576 11.125 ( 9.293 8.148 -1.761) 12.484 11.339 ( -3.759 4.358 2.047) 6.108 11.580 ( 7.392 0.385 -1.011) 7.471 11.944 ( -10.331 -0.006 -0.679) 10.353 12.598 ( 5.169 -1.769 5.266) 7.588 12.754 ( -1.686 -1.651 -4.064) 4.699 13.468 ( 3.076 1.268 -3.143) 4.577 13.574 ( -2.497 0.728 2.342) 3.500 13.976 ( 6.963 3.622 0.997) 7.912 14.337 ( -9.946 5.204 -0.662) 11.245 14.703 ( 2.808 0.384 3.837) 4.770 14.804 ( -2.027 2.645 -3.327) 4.709 15.250 ( 2.394 -5.370 -1.176) 5.996 15.308 ( -0.936 -3.496 0.913) 3.733 15.923 ( 3.240 -0.193 -1.618) 3.627 16.092 ( -6.639 -0.514 3.955) 7.745 16.308 ( 6.473 -0.172 -4.374) 7.814 16.458 ( -2.606 -0.661 2.041) 3.375 24.172 ( 1.645 -0.187 0.018) 1.656 24.260 ( -2.869 -0.496 0.093) 2.913 24.347 ( 2.138 0.124 -0.005) 2.142 24.409 ( -1.113 -0.218 -0.104) 1.139 25.574 ( 1.725 0.931 0.132) 1.964 25.665 ( -2.271 0.638 -0.195) 2.367 25.921 ( 0.949 0.225 1.220) 1.562 25.963 ( -0.301 1.483 -1.227) 1.948 26.836 ( 0.375 -0.282 1.987) 2.042 26.889 ( -1.806 -0.574 -3.592) 4.061 26.997 ( 2.407 0.288 2.341) 3.370 27.069 ( -0.998 -0.017 -0.670) 1.202 28.503 ( 0.647 2.134 0.059) 2.231 28.540 ( -1.041 2.560 0.035) 2.764 29.173 ( 2.136 -5.248 -0.311) 5.674 29.252 ( -1.519 -4.881 0.194) 5.116 ======================= Grid point 213 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 1.898 5.065 3.183) 6.276 1.312 ( -3.123 4.693 -3.532) 6.652 1.872 ( 9.458 -5.607 -2.963) 11.387 2.009 ( -6.093 -3.188 2.244) 7.234 2.110 ( 3.445 12.689 -12.513) 18.150 2.212 ( -10.991 7.222 14.107) 19.287 2.698 ( -0.491 10.167 13.606) 16.993 2.721 ( 0.881 8.216 -12.217) 14.749 2.926 ( 1.299 -6.617 -2.500) 7.191 2.934 ( -0.455 -5.225 3.312) 6.203 3.177 ( 8.375 -8.238 -3.101) 12.150 3.281 ( -2.038 -4.018 -0.625) 4.549 3.414 ( 1.436 0.057 0.227) 1.455 3.467 ( -2.479 -1.123 1.192) 2.971 3.926 ( 4.409 -5.080 -1.196) 6.832 4.006 ( -4.853 -1.348 1.536) 5.266 4.264 ( 6.763 8.324 6.853) 12.727 4.437 ( -9.684 11.443 -8.238) 17.105 4.519 ( 3.025 3.463 3.937) 6.054 4.602 ( -3.982 1.701 -3.644) 5.659 4.954 ( 1.704 15.520 8.045) 17.564 5.001 ( -1.512 13.695 -7.191) 15.542 5.175 ( 6.717 7.393 1.204) 10.061 5.319 ( -7.948 4.665 -0.311) 9.221 5.471 ( 2.902 -4.873 -4.203) 7.059 5.521 ( -3.747 -4.693 3.444) 6.923 5.596 ( 3.951 -3.068 -3.934) 6.364 5.631 ( -0.247 -1.548 2.352) 2.826 5.820 ( 3.166 -1.807 5.087) 6.258 5.909 ( -4.744 1.234 -4.947) 6.964 6.269 ( -1.666 3.738 3.302) 5.259 6.287 ( -2.398 3.229 -2.317) 4.642 6.557 ( 4.700 0.433 -9.684) 10.773 6.618 ( -4.512 -4.299 9.276) 11.175 6.918 ( 4.195 2.867 -6.597) 8.327 6.992 ( -5.729 2.394 5.166) 8.077 7.108 ( -1.178 3.262 -2.542) 4.300 7.111 ( -2.281 1.024 3.703) 4.468 7.254 ( 4.112 3.190 -0.677) 5.248 7.305 ( -2.233 3.215 2.793) 4.809 7.701 ( 5.943 0.737 3.615) 6.995 7.780 ( -0.860 0.541 -3.472) 3.618 7.910 ( 3.206 -1.603 1.189) 3.777 8.016 ( -6.972 -0.491 -4.718) 8.433 8.311 ( 8.400 -4.894 -0.770) 9.752 8.454 ( -7.501 -6.068 2.686) 10.015 8.993 ( 10.661 -8.090 -0.385) 13.389 9.145 ( -5.952 -10.324 0.721) 11.939 10.594 ( 11.218 -7.185 2.275) 13.515 10.800 ( -11.411 -8.392 -2.936) 14.466 11.060 ( 9.351 4.712 -1.759) 10.617 11.217 ( -9.151 1.768 2.941) 9.774 11.694 ( 9.943 -3.545 -1.722) 10.695 11.889 ( -11.864 -3.453 0.783) 12.381 12.704 ( 4.853 -3.470 9.100) 10.881 12.778 ( -0.930 -3.030 -9.261) 9.788 13.431 ( 3.284 4.903 -2.468) 6.396 13.492 ( -3.958 4.837 2.475) 6.722 13.977 ( 6.080 2.380 0.223) 6.533 14.127 ( -10.544 5.664 0.305) 11.973 14.718 ( 0.868 -0.009 3.623) 3.725 14.748 ( -1.834 0.713 -3.437) 3.960 15.374 ( 2.135 -4.252 6.769) 8.274 15.399 ( 1.264 -5.247 -6.716) 8.616 15.954 ( 4.092 0.339 -0.190) 4.111 16.041 ( -5.853 0.494 0.756) 5.922 16.373 ( 7.144 -1.221 -5.699) 9.220 16.461 ( -4.249 -1.995 4.818) 6.727 24.197 ( 2.320 -0.495 0.240) 2.385 24.244 ( -2.866 -0.437 -0.204) 2.906 24.365 ( 2.328 0.159 0.333) 2.357 24.400 ( -1.544 -0.052 -0.406) 1.598 25.580 ( 2.102 0.256 0.343) 2.145 25.632 ( -3.368 0.133 -0.652) 3.433 25.927 ( 1.453 -0.056 -0.676) 1.603 25.953 ( -1.880 -1.032 1.146) 2.432 26.808 ( 1.175 3.807 1.429) 4.232 26.838 ( -1.539 3.593 -3.369) 5.160 26.992 ( 3.649 2.768 -5.761) 7.360 27.034 ( -3.023 2.539 7.938) 8.865 28.459 ( -0.141 2.334 1.592) 2.829 28.476 ( -1.596 2.380 -1.623) 3.293 29.357 ( 5.130 -10.220 -2.786) 11.770 29.400 ( -0.404 -10.554 2.407) 10.833 ======================= Grid point 214 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -2.286 2.910 -4.149) 5.559 1.201 ( 2.286 2.910 4.149) 5.559 1.894 ( 7.055 10.097 -17.042) 21.028 1.894 ( -7.055 10.097 17.042) 21.028 2.047 ( 7.311 1.233 -7.138) 10.292 2.047 ( -7.311 1.233 7.138) 10.292 2.578 ( -1.012 2.740 -9.447) 9.889 2.578 ( 1.012 2.740 9.447) 9.889 3.024 ( 0.516 -2.603 -3.785) 4.623 3.024 ( -0.516 -2.603 3.785) 4.623 3.294 ( 2.086 -0.804 -6.992) 7.341 3.294 ( -2.086 -0.804 6.992) 7.341 3.517 ( -4.303 -6.241 -5.145) 9.162 3.517 ( 4.303 -6.241 5.145) 9.162 3.922 ( -0.093 8.234 -17.264) 19.127 3.922 ( 0.093 8.234 17.264) 19.127 4.217 ( -2.074 1.762 -3.379) 4.338 4.217 ( 2.074 1.762 3.379) 4.338 4.454 ( -3.708 8.906 -8.465) 12.834 4.454 ( 3.708 8.906 8.465) 12.834 4.707 ( -3.110 11.865 -15.869) 20.057 4.707 ( 3.110 11.865 15.869) 20.057 5.104 ( -5.947 6.898 -6.724) 11.321 5.104 ( 5.947 6.898 6.724) 11.321 5.573 ( 2.256 -3.870 -6.885) 8.214 5.573 ( -2.256 -3.870 6.885) 8.214 5.689 ( 1.633 -4.007 -5.874) 7.296 5.689 ( -1.633 -4.007 5.874) 7.296 5.884 ( 0.716 -2.593 -7.979) 8.420 5.884 ( -0.716 -2.593 7.979) 8.420 6.176 ( -0.949 5.746 -1.642) 6.051 6.176 ( 0.949 5.746 1.642) 6.051 6.627 ( 7.569 -0.946 -10.100) 12.657 6.627 ( -7.569 -0.946 10.100) 12.657 6.834 ( 5.077 9.313 -10.194) 14.711 6.834 ( -5.077 9.313 10.194) 14.711 7.024 ( -1.887 2.639 -3.036) 4.443 7.024 ( 1.887 2.639 3.036) 4.443 7.290 ( 2.186 -1.352 -9.714) 10.048 7.290 ( -2.186 -1.352 9.714) 10.048 7.733 ( -5.437 1.046 -0.517) 5.561 7.733 ( 5.437 1.046 0.517) 5.561 7.957 ( -4.809 0.798 -3.544) 6.027 7.957 ( 4.809 0.798 3.544) 6.027 8.502 ( -5.160 -5.798 -1.447) 7.895 8.502 ( 5.160 -5.798 1.447) 7.895 9.310 ( -10.405 -13.679 -2.316) 17.342 9.310 ( 10.405 -13.679 2.316) 17.342 10.788 ( -8.090 -0.993 -7.383) 10.997 10.788 ( 8.090 -0.993 7.383) 10.997 11.173 ( 5.064 -6.693 -10.883) 13.744 11.173 ( -5.064 -6.693 10.883) 13.744 11.847 ( -7.905 -2.383 0.432) 8.267 11.847 ( 7.905 -2.383 -0.432) 8.267 12.817 ( 2.546 -2.515 -23.726) 23.994 12.817 ( -2.546 -2.515 23.726) 23.994 13.361 ( -0.483 3.612 -0.931) 3.761 13.361 ( 0.483 3.612 0.931) 3.761 13.984 ( -4.228 1.873 0.338) 4.637 13.984 ( 4.228 1.873 -0.338) 4.637 14.734 ( -0.282 -0.603 -3.195) 3.264 14.734 ( 0.282 -0.603 3.195) 3.264 15.471 ( -1.895 -2.976 -8.906) 9.579 15.471 ( 1.895 -2.976 8.906) 9.579 15.981 ( -1.180 0.713 -10.992) 11.078 15.981 ( 1.180 0.713 10.992) 11.078 16.458 ( 2.077 -1.598 -6.058) 6.601 16.458 ( -2.077 -1.598 6.058) 6.601 24.231 ( -2.065 -0.773 -0.801) 2.346 24.231 ( 2.065 -0.773 0.801) 2.346 24.379 ( -2.019 0.517 -0.855) 2.253 24.379 ( 2.019 0.517 0.855) 2.253 25.603 ( -1.693 -0.258 -2.149) 2.748 25.603 ( 1.693 -0.258 2.149) 2.748 25.955 ( 0.168 -0.954 -1.225) 1.562 25.955 ( -0.168 -0.954 1.225) 1.562 26.733 ( 1.165 4.850 -5.560) 7.469 26.733 ( -1.165 4.850 5.560) 7.469 26.934 ( 2.995 5.656 -8.958) 11.009 26.934 ( -2.995 5.656 8.958) 11.009 28.425 ( -0.305 1.532 -3.888) 4.190 28.425 ( 0.305 1.532 3.888) 4.190 29.628 ( 1.348 -13.511 -6.605) 15.099 29.628 ( -1.348 -13.511 6.605) 15.099 ======================= Grid point 218 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -7.319 -0.000 4.040) 8.360 1.117 ( 0.719 0.000 -1.840) 1.975 1.631 ( 11.643 0.000 9.257) 14.875 1.861 ( 10.143 0.000 -16.316) 19.212 1.889 ( 5.447 0.000 14.630) 15.611 2.128 ( 6.073 0.000 -22.794) 23.589 2.447 ( -11.426 -0.000 2.138) 11.625 2.463 ( -15.888 -0.000 3.443) 16.256 2.725 ( -7.902 -0.000 -0.176) 7.904 3.074 ( -1.792 -0.000 -4.575) 4.913 3.122 ( -9.077 -0.000 -1.445) 9.192 3.269 ( -10.937 -0.000 -0.695) 10.959 3.587 ( 8.143 0.000 -26.795) 28.005 3.714 ( -1.737 -0.000 26.597) 26.653 3.724 ( 1.958 0.000 2.392) 3.092 3.908 ( 3.904 0.000 -9.377) 10.157 3.939 ( -5.579 -0.000 7.845) 9.626 4.071 ( 3.518 0.000 4.387) 5.623 4.262 ( 0.143 0.000 1.366) 1.373 4.304 ( 8.490 0.000 -2.490) 8.848 4.610 ( 7.055 0.000 4.085) 8.152 4.711 ( 3.410 0.000 4.509) 5.653 5.027 ( 1.579 0.000 -3.896) 4.203 5.231 ( 5.404 0.000 -6.127) 8.170 5.682 ( 0.218 0.000 4.386) 4.392 5.722 ( -2.157 -0.000 -0.319) 2.180 5.863 ( -0.136 -0.000 7.913) 7.914 5.936 ( 7.080 0.000 -1.571) 7.252 5.957 ( 3.470 0.000 -4.872) 5.982 6.076 ( 3.855 0.000 2.415) 4.549 6.243 ( 9.757 0.000 5.598) 11.249 6.262 ( 1.523 0.000 -0.682) 1.669 6.341 ( 7.861 0.000 3.779) 8.723 6.567 ( 10.668 0.000 -10.302) 14.830 6.672 ( 1.242 0.000 1.876) 2.250 6.975 ( -0.711 -0.000 5.348) 5.395 7.047 ( 5.523 0.000 -2.985) 6.278 7.060 ( 0.426 0.000 -12.232) 12.240 7.134 ( -2.494 -0.000 0.110) 2.496 7.249 ( -6.657 -0.000 4.190) 7.866 7.450 ( -5.107 -0.000 6.725) 8.445 7.691 ( -5.320 -0.000 -4.927) 7.251 8.010 ( 5.313 0.000 4.427) 6.916 8.142 ( 10.612 0.000 -2.348) 10.869 8.560 ( -1.183 -0.000 4.251) 4.413 8.678 ( 0.985 0.000 -4.718) 4.820 9.055 ( -18.563 -0.000 -3.309) 18.855 9.338 ( -24.526 -0.000 4.366) 24.912 10.472 ( -6.927 -0.000 -9.977) 12.146 10.640 ( -10.644 -0.000 7.476) 13.008 11.460 ( 4.367 0.000 22.096) 22.524 11.627 ( 9.351 0.000 -22.342) 24.220 11.917 ( 8.016 0.000 -5.819) 9.906 12.168 ( 3.867 0.000 8.303) 9.160 12.517 ( -9.748 -0.000 17.435) 19.975 12.720 ( -3.142 -0.000 -22.268) 22.488 13.476 ( 4.014 0.000 4.288) 5.874 13.628 ( 2.638 0.000 2.858) 3.889 14.036 ( 11.597 0.000 -1.693) 11.720 14.198 ( 7.378 0.000 0.674) 7.409 14.784 ( 2.776 0.000 2.909) 4.021 14.796 ( 2.249 0.000 -5.440) 5.887 15.223 ( -7.386 -0.000 -7.497) 10.524 15.419 ( -11.427 -0.000 1.949) 11.592 15.921 ( 2.631 0.000 -2.622) 3.714 16.105 ( -5.874 -0.000 5.947) 8.359 16.264 ( -0.111 -0.000 9.756) 9.757 16.459 ( -3.520 -0.000 -6.650) 7.524 24.193 ( -1.250 -0.000 -0.182) 1.263 24.256 ( -2.339 -0.000 -0.758) 2.459 24.331 ( 1.482 0.000 1.136) 1.867 24.402 ( 0.360 0.000 -0.392) 0.532 25.734 ( 2.769 0.000 -5.708) 6.344 25.769 ( 3.075 0.000 5.596) 6.385 25.938 ( 4.560 0.000 8.714) 9.834 26.181 ( 8.684 0.000 -3.554) 9.383 26.588 ( -2.664 -0.000 -6.282) 6.823 26.631 ( -1.454 -0.000 -5.381) 5.574 26.737 ( -0.687 -0.000 7.380) 7.412 26.737 ( 1.106 0.000 -3.783) 3.941 28.471 ( 6.185 0.000 -6.741) 9.149 28.527 ( 5.615 0.000 7.124) 9.070 29.462 ( -20.390 -0.000 7.896) 21.865 29.650 ( -18.745 -0.000 -5.105) 19.428 ======================= Grid point 219 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 2.056 -1.537 1.142) 2.810 1.169 ( -1.539 -8.740 1.622) 9.021 1.721 ( 9.276 1.221 7.093) 11.740 1.937 ( 5.366 -2.269 -9.173) 10.867 2.076 ( 5.320 -4.202 4.397) 8.080 2.194 ( 4.036 -6.329 -17.570) 19.106 2.316 ( -9.363 -3.595 0.526) 10.043 2.434 ( -4.539 -5.705 4.325) 8.477 2.716 ( -10.116 -5.768 0.262) 11.648 3.025 ( -4.069 2.731 -8.710) 9.994 3.044 ( -8.653 -1.520 2.885) 9.247 3.151 ( -6.725 0.837 -1.589) 6.961 3.638 ( 1.964 -1.577 -15.158) 15.366 3.698 ( -2.939 4.853 19.354) 20.168 3.767 ( 6.168 1.583 0.781) 6.416 3.954 ( -2.976 -5.312 9.423) 11.219 4.044 ( 5.286 -9.887 -11.595) 16.129 4.091 ( 1.318 -3.043 2.905) 4.409 4.261 ( 0.666 -1.218 -3.839) 4.082 4.446 ( 3.035 -5.930 0.345) 6.671 4.651 ( 5.997 0.433 7.912) 9.937 4.842 ( 3.292 -7.341 2.694) 8.484 5.028 ( 2.129 -0.206 -1.208) 2.456 5.289 ( -1.454 -3.797 -4.316) 5.930 5.640 ( 2.323 3.410 -0.620) 4.173 5.671 ( -2.337 3.730 0.485) 4.428 5.837 ( 5.008 4.766 -0.272) 6.919 5.934 ( 5.582 7.404 -2.640) 9.641 5.952 ( 3.960 2.192 6.033) 7.542 6.129 ( -0.387 -1.168 1.895) 2.259 6.246 ( 4.025 0.820 1.362) 4.327 6.292 ( 10.816 1.985 -2.214) 11.218 6.464 ( 2.492 -2.601 6.751) 7.652 6.664 ( 1.782 -1.477 2.768) 3.608 6.807 ( 5.943 -10.048 -9.162) 14.840 6.902 ( 0.066 2.275 -2.356) 3.276 7.075 ( 0.529 0.336 1.015) 1.193 7.107 ( 0.286 0.782 -1.084) 1.367 7.156 ( -2.999 -6.232 -8.159) 10.695 7.231 ( -4.267 -3.724 5.834) 8.130 7.446 ( -0.556 -2.171 6.968) 7.319 7.656 ( -4.813 -1.623 -4.153) 6.561 7.975 ( 5.700 6.773 3.017) 9.352 8.284 ( 9.538 -2.151 1.598) 9.908 8.484 ( 0.446 6.590 -3.224) 7.350 8.686 ( -1.731 -1.138 -1.201) 2.394 8.816 ( -14.809 7.687 0.295) 16.688 9.156 ( -20.302 -1.931 0.913) 20.414 10.391 ( -4.765 1.898 -8.518) 9.943 10.562 ( -10.341 -0.907 5.542) 11.767 11.467 ( 5.154 5.832 17.623) 19.265 11.621 ( 5.763 4.370 -15.692) 17.278 11.931 ( 8.247 5.861 -4.501) 11.073 12.210 ( 1.917 0.297 4.845) 5.219 12.465 ( -6.933 -1.407 8.961) 11.416 12.697 ( -5.803 -2.925 -11.747) 13.425 13.469 ( 4.134 3.663 4.555) 7.159 13.588 ( 1.849 4.539 -0.039) 4.901 14.149 ( 11.024 1.149 -0.704) 11.106 14.277 ( 8.730 -2.407 0.704) 9.083 14.780 ( 2.110 2.032 -2.649) 3.949 14.850 ( 4.464 -1.968 0.175) 4.881 15.159 ( -7.687 -0.696 -6.912) 10.361 15.311 ( -12.459 0.369 2.666) 12.746 15.927 ( 1.038 0.904 -0.834) 1.609 16.069 ( -6.647 -1.446 2.980) 7.426 16.267 ( 2.586 1.169 9.446) 9.863 16.453 ( -2.708 -2.256 -7.052) 7.883 24.179 ( -0.361 0.474 -0.172) 0.620 24.242 ( -2.370 -0.647 -0.494) 2.506 24.342 ( 1.565 0.236 0.994) 1.869 24.405 ( -0.395 -0.239 -0.350) 0.579 25.702 ( 2.126 3.634 -1.588) 4.500 25.771 ( -0.321 1.557 0.663) 1.722 25.984 ( 6.604 2.326 9.866) 12.098 26.219 ( 6.079 3.909 -7.437) 10.370 26.565 ( -2.247 -3.435 3.708) 5.531 26.667 ( -1.780 -4.575 -5.586) 7.436 26.771 ( 0.810 -4.344 2.943) 5.309 26.840 ( 0.024 -7.095 -4.662) 8.489 28.521 ( 7.177 0.175 -6.050) 9.389 28.590 ( 6.426 0.066 6.241) 8.958 29.264 ( -17.252 3.387 9.064) 19.781 29.432 ( -16.620 4.329 -7.295) 18.660 ======================= Grid point 220 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 3.829 -4.136 1.856) 5.934 1.330 ( -1.174 -7.353 -0.230) 7.450 1.737 ( 4.156 2.964 3.198) 6.024 1.926 ( -4.285 2.587 0.432) 5.024 2.232 ( 6.902 -8.787 -2.817) 11.523 2.332 ( 0.697 -8.322 -9.999) 13.028 2.424 ( -0.944 -7.772 -1.298) 7.937 2.606 ( -1.689 -8.824 1.865) 9.176 2.749 ( -2.759 -3.092 5.919) 7.226 2.929 ( -2.147 2.099 -7.115) 7.723 3.051 ( -2.742 -5.527 1.981) 6.480 3.140 ( -2.397 -2.815 -5.556) 6.674 3.538 ( -3.202 9.347 11.815) 15.402 3.612 ( -6.393 1.161 -7.225) 9.717 3.754 ( 8.794 4.836 -0.962) 10.082 3.983 ( -3.780 1.216 6.236) 7.393 4.243 ( 2.832 -12.207 2.708) 12.821 4.313 ( -1.467 -7.623 -1.485) 7.903 4.400 ( 3.718 -14.183 -5.474) 15.651 4.577 ( 0.013 -7.958 -2.994) 8.502 4.751 ( 6.460 -4.437 4.155) 8.871 4.922 ( -3.521 -1.853 2.877) 4.909 5.138 ( 5.251 -5.421 0.550) 7.567 5.315 ( -5.469 -2.561 0.581) 6.067 5.581 ( 2.144 2.675 -2.456) 4.217 5.624 ( 0.475 1.749 0.964) 2.053 5.747 ( 7.103 9.639 -2.833) 12.304 5.802 ( 6.658 9.363 -3.444) 11.994 5.968 ( 1.188 0.414 8.955) 9.043 6.070 ( -3.092 4.676 -1.844) 5.901 6.280 ( 2.032 -0.788 3.854) 4.427 6.397 ( 6.775 -1.578 0.602) 6.982 6.440 ( -2.239 2.122 0.928) 3.221 6.661 ( -3.727 1.176 -2.569) 4.677 6.913 ( -1.921 -1.010 3.196) 3.863 6.988 ( -1.432 -5.821 -7.025) 9.235 7.072 ( 2.249 -0.243 3.641) 4.287 7.116 ( 2.007 -0.745 -0.652) 2.238 7.216 ( 0.976 -3.927 -10.620) 11.364 7.309 ( -0.024 -4.927 3.537) 6.065 7.550 ( 2.569 -5.608 5.566) 8.308 7.667 ( -2.221 -3.146 0.002) 3.851 7.904 ( 3.936 4.727 1.972) 6.460 8.256 ( -7.414 7.333 0.767) 10.457 8.384 ( 7.196 4.888 -7.787) 11.676 8.598 ( -2.616 7.206 7.006) 10.385 8.701 ( -0.813 -2.714 -0.859) 2.961 9.043 ( -12.976 -0.541 -1.267) 13.049 10.317 ( -0.250 1.459 -4.986) 5.201 10.516 ( -10.321 -3.016 2.636) 11.071 11.402 ( 6.364 7.066 8.977) 13.077 11.539 ( 1.675 5.677 -7.448) 9.513 11.837 ( 7.992 9.860 -1.154) 12.744 12.127 ( -7.100 6.200 0.956) 9.474 12.510 ( 2.205 -3.785 0.821) 4.457 12.686 ( -5.829 -2.224 -0.667) 6.275 13.461 ( 4.345 0.928 -0.650) 4.490 13.542 ( 0.038 0.759 1.352) 1.551 14.169 ( 10.167 5.020 0.289) 11.342 14.398 ( 2.096 -2.154 0.345) 3.025 14.756 ( 4.276 2.352 -0.317) 4.891 14.916 ( 4.547 0.830 -0.786) 4.689 15.096 ( -7.496 -1.874 -6.958) 10.398 15.218 ( -9.933 -1.159 4.476) 10.957 15.920 ( 1.822 0.464 -1.797) 2.601 16.045 ( -6.445 -1.497 4.194) 7.834 16.302 ( 4.661 -0.223 4.324) 6.362 16.454 ( -2.806 -0.857 -4.747) 5.580 24.174 ( 0.836 0.234 -0.235) 0.899 24.235 ( -2.471 -0.744 0.022) 2.581 24.353 ( 1.597 0.199 0.369) 1.651 24.401 ( -1.083 -0.147 -0.077) 1.095 25.652 ( 2.154 3.094 -0.031) 3.770 25.723 ( -1.512 2.213 -0.379) 2.707 25.986 ( 4.757 3.413 6.639) 8.851 26.125 ( 0.801 6.329 -6.801) 9.324 26.677 ( -0.357 -6.662 7.859) 10.309 26.745 ( -1.625 -5.473 -6.173) 8.409 26.889 ( 1.116 -5.486 7.994) 9.759 26.962 ( 0.060 -5.896 -10.217) 11.796 28.564 ( 6.232 1.051 -4.098) 7.532 28.632 ( 4.037 1.698 4.027) 5.949 29.104 ( -9.191 1.206 7.444) 11.889 29.227 ( -10.926 2.574 -6.401) 12.922 ======================= Grid point 221 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 4.059 -2.972 2.756) 5.736 1.403 ( -2.249 -1.889 -2.943) 4.158 1.733 ( 5.811 0.752 -0.888) 5.926 1.856 ( -8.310 -1.599 3.884) 9.311 2.398 ( 2.487 -1.037 -5.246) 5.897 2.431 ( -2.521 -0.094 1.610) 2.993 2.577 ( 4.484 -8.615 -4.075) 10.532 2.684 ( -7.663 -7.202 1.033) 10.566 2.841 ( 7.129 -3.953 4.925) 9.524 2.920 ( 0.013 -2.866 -4.629) 5.444 3.117 ( 2.101 4.743 -2.117) 5.603 3.153 ( -2.927 0.450 2.706) 4.012 3.403 ( 1.861 1.153 4.402) 4.916 3.508 ( -8.416 0.268 -3.906) 9.282 3.771 ( 9.481 1.019 -4.162) 10.404 3.913 ( -7.776 0.485 5.748) 9.682 4.426 ( 3.659 -3.356 0.538) 4.994 4.465 ( -1.361 -7.290 0.461) 7.430 4.575 ( 4.452 -1.392 3.439) 5.795 4.707 ( -7.820 -2.750 -4.804) 9.581 4.963 ( 6.011 -12.354 -4.919) 14.593 5.016 ( -2.211 -12.497 4.693) 13.531 5.241 ( 3.343 -2.450 -0.913) 4.244 5.313 ( -5.011 -1.804 1.366) 5.498 5.537 ( 4.124 8.729 3.214) 10.175 5.585 ( 0.356 8.733 -4.067) 9.640 5.618 ( 7.166 1.634 2.096) 7.643 5.714 ( -0.959 3.252 -1.627) 3.761 5.915 ( 1.992 5.924 -3.009) 6.937 5.968 ( -4.740 1.781 4.361) 6.683 6.304 ( -0.176 -0.161 6.125) 6.130 6.347 ( -2.953 1.539 -3.935) 5.155 6.503 ( 4.797 -1.133 3.728) 6.180 6.597 ( -4.205 0.432 -6.572) 7.814 6.917 ( -1.403 -1.467 9.477) 9.692 6.987 ( -4.432 -0.519 -11.013) 11.883 7.081 ( 2.489 1.097 -1.958) 3.352 7.127 ( -2.257 0.911 3.761) 4.479 7.345 ( 7.052 -4.299 -1.735) 8.440 7.410 ( 0.367 -3.517 -0.881) 3.644 7.677 ( 3.656 -3.684 3.169) 6.081 7.723 ( -0.518 -3.154 0.774) 3.288 7.873 ( 4.052 2.133 0.278) 4.587 8.036 ( -11.536 4.461 -2.825) 12.687 8.359 ( 7.905 4.183 -4.257) 9.905 8.452 ( -3.057 6.297 7.255) 10.081 8.782 ( 6.213 -3.075 -0.716) 6.969 8.944 ( -10.448 -0.772 -0.749) 10.503 10.353 ( 6.338 -3.234 -2.231) 7.457 10.503 ( -10.788 -5.068 1.423) 12.004 11.338 ( 6.520 6.557 2.133) 9.490 11.420 ( -2.302 5.869 -1.699) 6.529 11.731 ( 9.364 7.527 -0.664) 12.033 11.911 ( -10.864 6.407 0.179) 12.614 12.606 ( 4.595 -2.586 1.552) 5.497 12.687 ( -4.196 -2.342 -0.698) 4.856 13.497 ( 3.983 -0.654 -4.168) 5.802 13.545 ( -2.539 -1.096 3.635) 4.567 14.156 ( 10.850 5.697 0.973) 12.293 14.342 ( -9.002 4.031 -0.886) 9.903 14.767 ( 5.041 2.097 4.101) 6.828 14.851 ( -2.681 4.296 -4.255) 6.614 15.151 ( 1.812 -5.906 -4.093) 7.411 15.209 ( -5.163 -4.237 3.729) 7.650 15.944 ( 4.052 -0.586 -2.935) 5.038 16.024 ( -6.013 -1.223 4.315) 7.501 16.352 ( 4.990 -0.149 0.179) 4.995 16.428 ( -3.509 -0.010 -1.123) 3.684 24.185 ( 1.950 -0.164 -0.170) 1.964 24.226 ( -2.639 -0.565 0.184) 2.705 24.365 ( 1.711 0.010 0.018) 1.711 24.393 ( -1.474 -0.173 0.010) 1.485 25.623 ( 2.431 2.027 0.253) 3.176 25.667 ( -2.380 1.732 -0.309) 2.959 25.964 ( 2.696 2.685 3.877) 5.432 26.011 ( -1.170 4.136 -4.068) 5.918 26.795 ( 0.394 -4.380 4.420) 6.235 26.821 ( -1.403 -4.137 -3.990) 5.917 26.995 ( 1.011 -2.917 9.986) 10.452 27.032 ( -0.207 -2.764 -10.520) 10.879 28.565 ( 3.062 2.741 -1.920) 4.536 28.596 ( -0.560 3.513 1.991) 4.076 29.096 ( -0.133 -3.467 3.537) 4.955 29.151 ( -4.818 -2.526 -3.305) 6.365 ======================= Grid point 222 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -2.196 2.974 -4.330) 5.694 1.365 ( 2.196 2.974 4.330) 5.694 1.845 ( -2.530 -4.754 0.116) 5.387 1.845 ( 2.530 -4.754 -0.116) 5.387 2.327 ( 3.187 7.682 -9.702) 12.779 2.327 ( -3.187 7.682 9.702) 12.779 2.777 ( -1.789 -6.710 -1.783) 7.170 2.777 ( 1.789 -6.710 1.783) 7.170 2.919 ( 1.915 6.857 -14.032) 15.735 2.919 ( -1.915 6.857 14.032) 15.735 3.090 ( -6.990 -5.985 -1.250) 9.286 3.090 ( 6.990 -5.985 1.250) 9.286 3.458 ( 0.741 0.278 -7.465) 7.507 3.458 ( -0.741 0.278 7.465) 7.507 3.877 ( 0.833 -4.000 -1.839) 4.480 3.877 ( -0.833 -4.000 1.839) 4.480 4.485 ( -7.116 2.705 -3.897) 8.552 4.485 ( 7.116 2.705 3.897) 8.552 4.601 ( -0.537 2.727 -2.698) 3.874 4.601 ( 0.537 2.727 2.698) 3.874 5.183 ( 0.637 0.688 -7.949) 8.004 5.183 ( -0.637 0.688 7.949) 8.004 5.311 ( -0.641 -1.162 -5.390) 5.551 5.311 ( 0.641 -1.162 5.390) 5.551 5.414 ( -0.178 2.259 -4.454) 4.997 5.414 ( 0.178 2.259 4.454) 4.997 5.623 ( -3.360 2.816 -1.822) 4.748 5.623 ( 3.360 2.816 1.822) 4.748 5.881 ( -6.697 1.943 -0.311) 6.980 5.881 ( 6.697 1.943 0.311) 6.980 6.308 ( -0.081 0.754 -6.495) 6.539 6.308 ( 0.081 0.754 6.495) 6.539 6.560 ( -1.031 -0.890 -8.495) 8.603 6.560 ( 1.031 -0.890 8.495) 8.604 6.966 ( -0.526 -1.018 -13.047) 13.097 6.966 ( 0.526 -1.018 13.047) 13.097 7.088 ( 1.484 -0.440 -1.590) 2.219 7.088 ( -1.484 -0.440 1.590) 2.219 7.395 ( -2.489 4.358 -1.521) 5.244 7.395 ( 2.489 4.358 1.521) 5.244 7.751 ( -2.668 -0.794 -7.573) 8.068 7.751 ( 2.668 -0.794 7.573) 8.068 7.919 ( -6.096 -1.511 -3.710) 7.295 7.919 ( 6.096 -1.511 3.710) 7.295 8.345 ( 2.813 1.402 -5.647) 6.463 8.345 ( -2.813 1.402 5.647) 6.463 8.928 ( -4.009 -5.908 -1.611) 7.319 8.928 ( 4.009 -5.908 1.611) 7.319 10.534 ( -3.073 -7.626 -6.780) 10.657 10.534 ( 3.073 -7.626 6.780) 10.657 11.256 ( 1.891 7.262 -12.244) 14.360 11.256 ( -1.891 7.262 12.244) 14.360 11.746 ( -10.278 0.194 -0.320) 10.284 11.746 ( 10.278 0.194 0.320) 10.284 12.694 ( -1.218 -2.407 -11.533) 11.844 12.694 ( 1.218 -2.407 11.533) 11.844 13.523 ( 3.098 1.387 -4.450) 5.597 13.523 ( -3.098 1.387 4.450) 5.597 14.143 ( -10.222 5.828 -1.521) 11.865 14.143 ( 10.222 5.828 1.521) 11.865 14.757 ( -2.101 2.252 -4.625) 5.557 14.757 ( 2.101 2.252 4.625) 5.557 15.287 ( 1.219 -5.940 -6.558) 8.931 15.287 ( -1.219 -5.940 6.558) 8.931 15.995 ( 1.991 -0.391 -5.856) 6.197 15.995 ( -1.991 -0.391 5.856) 6.197 16.399 ( 2.363 -0.700 -7.520) 7.913 16.399 ( -2.363 -0.700 7.520) 7.913 24.211 ( -2.599 -0.374 -0.044) 2.626 24.211 ( 2.599 -0.374 0.044) 2.626 24.382 ( -1.674 -0.173 -0.229) 1.698 24.382 ( 1.674 -0.173 0.229) 1.698 25.616 ( -2.746 1.079 -0.316) 2.967 25.616 ( 2.746 1.079 0.316) 2.967 25.945 ( -0.521 1.231 -2.922) 3.213 25.945 ( 0.521 1.231 2.922) 3.213 26.855 ( 0.667 -0.496 -8.928) 8.966 26.855 ( -0.667 -0.496 8.928) 8.966 27.040 ( 1.547 0.085 -13.063) 13.155 27.040 ( -1.547 0.085 13.063) 13.155 28.520 ( -0.087 3.259 -1.526) 3.600 28.520 ( 0.087 3.259 1.526) 3.600 29.216 ( -0.010 -7.104 -2.911) 7.677 29.216 ( 0.010 -7.104 2.911) 7.677 ======================= Grid point 228 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 3.129 0.000 -0.992) 3.282 1.140 ( 1.072 0.000 2.374) 2.605 1.794 ( 6.824 0.000 -2.968) 7.441 2.030 ( 6.385 0.000 2.234) 6.764 2.079 ( 14.498 0.000 -5.412) 15.475 2.151 ( 3.375 0.000 -13.699) 14.108 2.183 ( -14.894 -0.000 3.832) 15.379 2.277 ( -7.845 -0.000 7.592) 10.917 2.598 ( -5.153 -0.000 -2.701) 5.818 2.912 ( -14.520 -0.000 6.499) 15.908 3.016 ( -3.294 -0.000 -9.745) 10.287 3.077 ( -9.493 -0.000 0.639) 9.515 3.646 ( 4.623 0.000 -12.496) 13.323 3.729 ( -2.912 -0.000 16.639) 16.892 3.770 ( 3.191 0.000 -2.706) 4.184 3.868 ( -4.950 -0.000 8.841) 10.132 4.040 ( 11.599 0.000 -8.782) 14.548 4.137 ( 2.243 0.000 5.691) 6.118 4.274 ( 3.130 0.000 -11.113) 11.545 4.398 ( 0.562 0.000 5.680) 5.708 4.742 ( 5.889 0.000 2.548) 6.417 4.756 ( 1.188 0.000 6.201) 6.314 5.039 ( 1.374 0.000 -0.340) 1.415 5.214 ( -4.530 -0.000 -5.073) 6.801 5.694 ( -0.346 -0.000 -0.444) 0.563 5.715 ( 1.292 0.000 -0.245) 1.315 5.899 ( 2.390 0.000 6.636) 7.053 5.985 ( 1.547 0.000 -9.568) 9.692 6.052 ( 5.902 0.000 -3.091) 6.662 6.125 ( -0.046 -0.000 9.245) 9.245 6.330 ( 6.326 0.000 0.706) 6.365 6.419 ( 8.965 0.000 6.878) 11.300 6.490 ( 4.396 0.000 4.464) 6.265 6.669 ( 3.631 0.000 -12.897) 13.398 6.728 ( 4.736 0.000 1.484) 4.963 6.933 ( -5.249 -0.000 -2.025) 5.626 7.013 ( -0.895 -0.000 -4.736) 4.820 7.091 ( -0.471 -0.000 -3.701) 3.731 7.127 ( 0.725 0.000 -2.173) 2.290 7.139 ( -4.672 -0.000 9.978) 11.017 7.435 ( 0.506 0.000 7.612) 7.629 7.584 ( -5.038 -0.000 -6.608) 8.309 8.165 ( 10.925 0.000 8.118) 13.611 8.323 ( 10.900 0.000 -4.949) 11.971 8.564 ( 0.209 0.000 4.549) 4.553 8.656 ( -2.508 -0.000 -5.620) 6.154 8.775 ( -12.117 -0.000 -2.289) 12.332 8.904 ( -24.335 -0.000 1.462) 24.379 10.369 ( -1.583 -0.000 -9.639) 9.768 10.479 ( -9.384 -0.000 7.757) 12.175 11.591 ( 3.343 0.000 23.634) 23.869 11.694 ( 4.884 0.000 -23.058) 23.570 12.053 ( 9.325 0.000 -9.768) 13.504 12.234 ( -0.216 -0.000 12.250) 12.252 12.413 ( -5.675 -0.000 15.476) 16.484 12.585 ( -5.694 -0.000 -19.366) 20.186 13.556 ( 3.499 0.000 5.348) 6.391 13.645 ( -0.363 -0.000 -1.298) 1.347 14.260 ( 11.651 0.000 1.818) 11.792 14.322 ( 6.413 0.000 -1.302) 6.543 14.833 ( 4.474 0.000 -7.128) 8.416 14.853 ( 4.013 0.000 3.983) 5.654 15.084 ( -6.539 -0.000 -5.631) 8.629 15.198 ( -13.898 -0.000 2.414) 14.106 15.945 ( 0.386 0.000 0.916) 0.994 16.005 ( -4.834 -0.000 0.741) 4.890 16.312 ( 0.580 0.000 15.362) 15.373 16.391 ( -1.027 -0.000 -13.244) 13.284 24.181 ( -0.086 -0.000 0.124) 0.151 24.217 ( -1.825 -0.000 -0.688) 1.951 24.358 ( 1.278 0.000 1.407) 1.900 24.398 ( -0.500 -0.000 -0.882) 1.014 25.753 ( 1.287 0.000 -4.932) 5.097 25.779 ( -1.449 -0.000 3.571) 3.854 26.108 ( 8.804 0.000 16.076) 18.329 26.302 ( 5.875 0.000 -10.459) 11.996 26.522 ( -2.890 -0.000 -1.726) 3.366 26.583 ( -2.320 -0.000 -6.119) 6.544 26.741 ( -0.815 -0.000 6.914) 6.961 26.743 ( 0.887 0.000 -4.911) 4.990 28.588 ( 9.090 0.000 -7.244) 11.623 28.662 ( 7.068 0.000 7.238) 10.117 29.158 ( -16.002 -0.000 11.278) 19.577 29.309 ( -16.941 -0.000 -9.895) 19.619 ======================= Grid point 229 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.092 -3.216 2.858) 4.439 1.175 ( 1.226 -5.973 -1.646) 6.316 1.877 ( 7.706 2.177 -0.825) 8.050 1.976 ( -1.393 5.541 -2.836) 6.379 2.118 ( -0.915 -4.970 3.842) 6.349 2.137 ( -3.144 -6.789 -4.081) 8.522 2.282 ( 4.965 -7.427 -3.637) 9.645 2.403 ( -5.752 -8.799 2.170) 10.733 2.651 ( 7.923 -7.626 -1.120) 11.054 2.864 ( -12.488 -5.593 4.107) 14.286 2.972 ( -0.533 0.266 -4.883) 4.920 3.015 ( -6.586 -1.300 -0.529) 6.734 3.639 ( 2.571 3.245 -9.570) 10.427 3.674 ( -4.030 5.276 12.186) 13.877 3.860 ( 4.897 -3.411 -4.732) 7.616 3.916 ( -3.772 -6.531 8.958) 11.710 4.118 ( 1.952 -2.130 -0.857) 3.013 4.123 ( 1.273 -0.324 1.821) 2.246 4.319 ( 9.619 -3.178 -17.100) 19.876 4.439 ( -5.949 -4.486 10.396) 12.791 4.767 ( 5.400 -1.067 4.764) 7.279 4.849 ( -2.577 -3.347 -1.013) 4.343 5.093 ( 5.154 -3.617 2.556) 6.795 5.202 ( -5.969 -3.602 -3.385) 7.750 5.652 ( -0.168 3.485 2.660) 4.388 5.662 ( 0.381 3.780 -3.926) 5.463 5.944 ( 6.188 0.515 2.075) 6.547 5.997 ( 2.481 1.954 -5.968) 6.752 6.020 ( 2.573 5.390 -0.805) 6.027 6.080 ( -5.609 3.726 6.295) 9.218 6.345 ( 6.888 3.216 1.583) 7.764 6.457 ( -4.574 2.959 1.822) 5.744 6.491 ( 11.166 1.551 1.874) 11.427 6.651 ( -5.198 1.461 -1.993) 5.755 6.855 ( 2.372 -5.825 -3.721) 7.307 6.892 ( -1.603 -1.565 -2.470) 3.335 7.060 ( 0.603 -2.881 6.194) 6.858 7.097 ( -0.353 -2.983 -4.880) 5.731 7.142 ( 1.366 -1.883 -3.665) 4.341 7.178 ( -3.532 -4.828 3.970) 7.180 7.489 ( 2.866 -3.407 6.410) 7.805 7.566 ( -4.101 -3.169 -5.261) 7.385 8.136 ( 11.514 10.232 4.913) 16.168 8.352 ( -8.386 9.352 -1.021) 12.603 8.503 ( 7.354 1.645 -8.155) 11.104 8.627 ( -5.832 0.423 0.288) 5.855 8.680 ( 1.507 -1.626 7.627) 7.943 8.846 ( -13.939 -6.778 -3.131) 15.813 10.345 ( 1.963 1.172 -7.518) 7.858 10.415 ( -7.694 -0.170 6.310) 9.951 11.586 ( 2.902 5.438 17.249) 18.317 11.644 ( 1.384 4.899 -16.312) 17.088 12.062 ( 8.203 5.862 -6.002) 11.734 12.180 ( -6.544 4.616 6.532) 10.334 12.453 ( 2.913 -4.244 7.888) 9.419 12.561 ( -6.198 -4.026 -9.382) 11.943 13.544 ( 3.068 3.589 4.225) 6.336 13.590 ( -1.039 3.749 -2.597) 4.677 14.325 ( 7.974 2.097 -0.203) 8.247 14.384 ( 1.767 -1.179 1.031) 2.361 14.845 ( 6.840 1.823 -1.168) 7.174 14.944 ( 5.973 -3.507 -0.873) 6.981 15.004 ( -7.965 1.739 -5.032) 9.580 15.099 ( -11.562 -1.531 3.634) 12.216 15.942 ( 1.219 0.469 -0.513) 1.403 15.981 ( -3.850 -0.747 1.666) 4.261 16.336 ( 2.294 -0.391 8.912) 9.210 16.393 ( -1.954 -1.817 -8.412) 8.825 24.183 ( 0.779 0.019 0.052) 0.781 24.205 ( -1.692 -0.348 -0.285) 1.751 24.369 ( 1.251 0.141 0.966) 1.587 24.391 ( -0.963 0.030 -0.721) 1.204 25.727 ( 1.426 2.695 -1.007) 3.211 25.751 ( -1.554 1.915 0.372) 2.494 26.138 ( 6.459 5.238 12.796) 15.261 26.242 ( -1.018 6.411 -12.334) 13.938 26.565 ( 0.848 -5.529 7.305) 9.201 26.615 ( -2.199 -5.093 -7.177) 9.071 26.796 ( 1.026 -5.296 3.627) 6.500 26.822 ( -0.739 -6.367 -4.307) 7.723 28.647 ( 8.387 1.287 -6.275) 10.554 28.705 ( 2.541 1.636 5.881) 6.612 29.056 ( -6.758 0.448 10.974) 12.895 29.150 ( -11.831 1.110 -9.982) 15.519 ======================= Grid point 230 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -3.177 -5.967 -2.181) 7.104 1.287 ( 3.177 -5.967 2.181) 7.104 1.834 ( -1.233 4.680 -2.603) 5.496 1.834 ( 1.233 4.680 2.603) 5.496 2.307 ( -0.845 -9.999 -4.813) 11.130 2.307 ( 0.845 -9.999 4.813) 11.130 2.478 ( -4.526 -6.785 0.106) 8.156 2.478 ( 4.526 -6.785 -0.106) 8.156 2.855 ( -4.410 -1.840 -7.538) 8.925 2.855 ( 4.410 -1.840 7.538) 8.925 3.058 ( -1.531 -7.879 -7.769) 11.170 3.058 ( 1.531 -7.879 7.769) 11.170 3.531 ( -0.112 7.409 -8.846) 11.539 3.531 ( 0.112 7.409 8.846) 11.539 3.895 ( 7.137 3.197 -4.826) 9.189 3.895 ( -7.137 3.197 4.826) 9.189 4.279 ( -1.367 -11.790 -3.027) 12.249 4.279 ( 1.367 -11.790 3.027) 12.249 4.509 ( 4.237 -8.606 -9.133) 13.244 4.509 ( -4.237 -8.606 9.133) 13.244 4.854 ( 0.251 -2.804 -7.255) 7.783 4.854 ( -0.251 -2.804 7.255) 7.783 5.223 ( -4.540 -3.390 -1.066) 5.765 5.223 ( 4.540 -3.390 1.066) 5.765 5.615 ( 0.687 0.440 -7.073) 7.120 5.615 ( -0.687 0.440 7.073) 7.120 5.854 ( 2.685 11.129 -3.235) 11.897 5.854 ( -2.685 11.129 3.235) 11.897 5.994 ( -1.103 1.872 -7.134) 7.457 5.994 ( 1.103 1.872 7.134) 7.457 6.349 ( -2.641 2.173 -5.187) 6.213 6.349 ( 2.641 2.173 5.187) 6.213 6.556 ( -6.944 0.988 -3.367) 7.780 6.556 ( 6.944 0.988 3.367) 7.780 6.918 ( -2.344 -1.287 -6.749) 7.260 6.918 ( 2.344 -1.287 6.749) 7.260 7.118 ( -0.143 -0.366 -3.667) 3.688 7.118 ( 0.143 -0.366 3.667) 3.688 7.269 ( 1.754 -7.538 -6.084) 9.845 7.269 ( -1.754 -7.538 6.084) 9.845 7.616 ( -1.427 -5.356 -5.975) 8.150 7.616 ( 1.427 -5.356 5.975) 8.150 8.055 ( -10.152 8.414 -4.211) 13.842 8.055 ( 10.152 8.414 4.211) 13.842 8.511 ( 8.281 4.181 -6.433) 11.289 8.511 ( -8.281 4.181 6.433) 11.289 8.821 ( -8.790 -2.322 -4.748) 10.257 8.821 ( 8.790 -2.322 4.748) 10.257 10.368 ( 2.649 -1.046 -6.950) 7.511 10.368 ( -2.649 -1.046 6.950) 7.511 11.508 ( 0.780 6.350 -19.017) 20.064 11.508 ( -0.780 6.350 19.017) 20.064 11.982 ( -5.444 8.805 -0.543) 10.366 11.982 ( 5.444 8.805 0.543) 10.366 12.585 ( -4.992 -3.947 -1.480) 6.534 12.585 ( 4.992 -3.947 1.480) 6.534 13.521 ( 0.899 1.099 -6.388) 6.544 13.521 ( -0.899 1.099 6.388) 6.544 14.338 ( -7.459 3.324 -0.365) 8.174 14.338 ( 7.459 3.324 0.365) 8.174 14.878 ( -7.712 2.911 -4.101) 9.207 14.878 ( 7.712 2.911 4.101) 9.207 15.075 ( 2.620 -4.333 -3.993) 6.448 15.075 ( -2.620 -4.333 3.993) 6.448 15.963 ( 3.654 -0.681 -2.837) 4.676 15.963 ( -3.654 -0.681 2.837) 4.676 16.386 ( 0.322 -0.763 -14.116) 14.141 16.386 ( -0.322 -0.763 14.116) 14.141 24.197 ( -1.452 -0.317 -0.104) 1.490 24.197 ( 1.452 -0.317 0.104) 1.490 24.379 ( -1.153 0.052 -0.432) 1.233 24.379 ( 1.153 0.052 0.432) 1.233 25.689 ( -1.147 2.584 -1.356) 3.135 25.689 ( 1.147 2.584 1.356) 3.135 26.082 ( -2.950 5.752 -8.451) 10.640 26.082 ( 2.950 5.752 8.451) 10.640 26.703 ( 0.404 -6.078 -12.400) 13.815 26.703 ( -0.404 -6.078 12.400) 13.815 26.929 ( 1.071 -5.818 -16.471) 17.501 26.929 ( -1.071 -5.818 16.471) 17.501 28.652 ( 2.831 3.130 -5.255) 6.740 28.652 ( -2.831 3.130 5.255) 6.740 29.068 ( -3.605 -1.084 -7.535) 8.423 29.068 ( 3.605 -1.084 7.535) 8.423 ======================= Grid point 239 (114/114) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 2.955 0.000 -4.064) 5.025 1.137 ( -2.955 -0.000 4.064) 5.025 1.929 ( 11.377 0.000 -6.635) 13.170 1.929 ( -11.377 -0.000 6.635) 13.170 2.123 ( 4.973 0.000 -11.775) 12.782 2.123 ( -4.973 -0.000 11.775) 12.782 2.248 ( 5.016 0.000 -2.172) 5.466 2.248 ( -5.016 -0.000 2.172) 5.466 2.651 ( 14.547 0.000 -8.127) 16.663 2.651 ( -14.547 -0.000 8.127) 16.663 2.980 ( 2.316 0.000 -6.026) 6.455 2.980 ( -2.316 -0.000 6.026) 6.455 3.697 ( 4.322 0.000 -10.151) 11.033 3.697 ( -4.322 -0.000 10.151) 11.033 3.816 ( 3.737 0.000 -8.353) 9.151 3.816 ( -3.737 -0.000 8.353) 9.151 4.158 ( 1.881 0.000 -0.920) 2.094 4.158 ( -1.881 -0.000 0.920) 2.094 4.344 ( 8.681 0.000 -18.126) 20.098 4.344 ( -8.681 -0.000 18.126) 20.098 4.790 ( -0.418 -0.000 -2.211) 2.250 4.790 ( 0.418 0.000 2.211) 2.250 5.104 ( -5.476 -0.000 -3.918) 6.733 5.104 ( 5.476 0.000 3.918) 6.733 5.707 ( -1.362 -0.000 -0.154) 1.370 5.707 ( 1.362 0.000 0.154) 1.370 5.960 ( -1.706 -0.000 -8.188) 8.364 5.960 ( 1.706 0.000 8.188) 8.364 6.118 ( 3.186 0.000 -7.208) 7.880 6.118 ( -3.186 -0.000 7.208) 7.880 6.452 ( -5.980 -0.000 1.115) 6.083 6.452 ( 5.980 0.000 -1.115) 6.083 6.608 ( -6.827 -0.000 -9.295) 11.533 6.608 ( 6.827 0.000 9.295) 11.533 6.821 ( -5.451 -0.000 -2.084) 5.836 6.821 ( 5.451 0.000 2.084) 5.836 7.037 ( -3.284 -0.000 -0.779) 3.375 7.037 ( 3.284 0.000 0.779) 3.375 7.131 ( 0.507 0.000 -4.016) 4.048 7.131 ( -0.507 -0.000 4.016) 4.048 7.491 ( -3.398 -0.000 -7.657) 8.377 7.491 ( 3.398 0.000 7.657) 8.377 8.409 ( -8.848 -0.000 -12.342) 15.186 8.409 ( 8.848 0.000 12.342) 15.186 8.553 ( 4.318 0.000 -3.151) 5.346 8.553 ( -4.318 -0.000 3.151) 5.346 8.657 ( 1.365 0.000 -14.332) 14.397 8.657 ( -1.365 -0.000 14.332) 14.397 10.373 ( 4.653 0.000 -8.599) 9.777 10.373 ( -4.653 -0.000 8.599) 9.777 11.680 ( 0.334 0.000 -23.684) 23.686 11.680 ( -0.334 -0.000 23.684) 23.686 12.181 ( 8.302 0.000 -13.025) 15.446 12.181 ( -8.302 -0.000 13.025) 15.446 12.448 ( -4.017 -0.000 -15.915) 16.414 12.448 ( 4.017 0.000 15.915) 16.414 13.617 ( -2.013 -0.000 -4.170) 4.630 13.617 ( 2.013 0.000 4.170) 4.630 14.379 ( -0.562 -0.000 -3.160) 3.209 14.379 ( 0.562 0.000 3.160) 3.209 14.920 ( 2.262 0.000 -6.714) 7.085 14.920 ( -2.262 -0.000 6.714) 7.085 15.002 ( 4.073 0.000 -3.914) 5.648 15.002 ( -4.073 -0.000 3.914) 5.648 15.955 ( -1.143 -0.000 -0.711) 1.346 15.955 ( 1.143 0.000 0.711) 1.346 16.352 ( 0.328 0.000 -15.654) 15.657 16.352 ( -0.328 -0.000 15.654) 15.657 24.190 ( -1.022 -0.000 -0.427) 1.107 24.190 ( 1.022 0.000 0.427) 1.107 24.382 ( -1.010 -0.000 -1.264) 1.617 24.382 ( 1.010 0.000 1.264) 1.617 25.763 ( 1.306 0.000 -4.073) 4.277 25.763 ( -1.306 -0.000 4.073) 4.277 26.276 ( -4.342 -0.000 -18.677) 19.175 26.276 ( 4.342 0.000 18.677) 19.175 26.524 ( -2.107 -0.000 -6.397) 6.735 26.524 ( 2.107 0.000 6.397) 6.735 26.744 ( 0.818 0.000 -6.074) 6.129 26.744 ( -0.818 -0.000 6.074) 6.129 28.720 ( 5.542 0.000 -6.808) 8.778 28.720 ( -5.542 -0.000 6.808) 8.778 29.064 ( -5.022 -0.000 -12.319) 13.304 29.064 ( 5.022 0.000 12.319) 13.304 =================== 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 3/32256 10.0 191.710 126.568 152.473 -0.000 -7.000 0.000 3/32256 20.0 32.771 25.652 27.254 -0.000 -3.492 0.000 3/32256 30.0 15.904 13.793 14.431 -0.000 -2.456 0.000 3/32256 40.0 10.052 9.122 9.652 -0.000 -1.773 0.000 3/32256 50.0 7.188 6.697 7.177 -0.000 -1.345 0.000 3/32256 60.0 5.540 5.254 5.689 -0.000 -1.068 0.000 3/32256 70.0 4.494 4.315 4.711 -0.000 -0.882 0.000 3/32256 80.0 3.782 3.662 4.028 -0.000 -0.750 0.000 3/32256 90.0 3.273 3.186 3.528 -0.000 -0.653 0.000 3/32256 100.0 2.892 2.824 3.148 -0.000 -0.580 0.000 3/32256 110.0 2.598 2.540 2.852 -0.000 -0.522 0.000 3/32256 120.0 2.364 2.311 2.615 -0.000 -0.476 0.000 3/32256 130.0 2.173 2.123 2.422 -0.000 -0.438 0.000 3/32256 140.0 2.015 1.966 2.261 -0.000 -0.406 0.000 3/32256 150.0 1.881 1.832 2.125 -0.000 -0.379 0.000 3/32256 160.0 1.767 1.717 2.008 -0.000 -0.356 0.000 3/32256 170.0 1.667 1.617 1.907 -0.000 -0.336 0.000 3/32256 180.0 1.580 1.529 1.819 -0.000 -0.319 0.000 3/32256 190.0 1.502 1.451 1.740 -0.000 -0.303 0.000 3/32256 200.0 1.433 1.382 1.671 -0.000 -0.290 0.000 3/32256 210.0 1.371 1.319 1.608 -0.000 -0.277 0.000 3/32256 220.0 1.315 1.263 1.551 -0.000 -0.266 0.000 3/32256 230.0 1.263 1.212 1.499 -0.000 -0.256 0.000 3/32256 240.0 1.216 1.165 1.452 -0.000 -0.247 0.000 3/32256 250.0 1.173 1.123 1.408 -0.000 -0.238 0.000 3/32256 260.0 1.133 1.083 1.367 -0.000 -0.230 0.000 3/32256 270.0 1.096 1.047 1.329 -0.000 -0.223 0.000 3/32256 280.0 1.061 1.013 1.294 -0.000 -0.216 0.000 3/32256 290.0 1.029 0.982 1.261 -0.000 -0.210 0.000 3/32256 300.0 0.999 0.952 1.230 -0.000 -0.204 0.000 3/32256 310.0 0.971 0.925 1.201 -0.000 -0.199 0.000 3/32256 320.0 0.944 0.899 1.173 -0.000 -0.194 0.000 3/32256 330.0 0.919 0.875 1.147 -0.000 -0.189 0.000 3/32256 340.0 0.895 0.852 1.122 -0.000 -0.184 0.000 3/32256 350.0 0.873 0.830 1.098 -0.000 -0.180 0.000 3/32256 360.0 0.852 0.810 1.075 -0.000 -0.176 0.000 3/32256 370.0 0.831 0.791 1.054 -0.000 -0.172 0.000 3/32256 380.0 0.812 0.772 1.033 -0.000 -0.168 0.000 3/32256 390.0 0.794 0.755 1.013 -0.000 -0.165 0.000 3/32256 400.0 0.776 0.738 0.994 -0.000 -0.161 0.000 3/32256 410.0 0.760 0.722 0.975 -0.000 -0.158 0.000 3/32256 420.0 0.744 0.707 0.957 -0.000 -0.155 0.000 3/32256 430.0 0.728 0.692 0.940 -0.000 -0.152 0.000 3/32256 440.0 0.714 0.678 0.924 -0.000 -0.149 0.000 3/32256 450.0 0.699 0.665 0.908 -0.000 -0.146 0.000 3/32256 460.0 0.686 0.652 0.892 -0.000 -0.144 0.000 3/32256 470.0 0.673 0.639 0.877 -0.000 -0.141 0.000 3/32256 480.0 0.660 0.627 0.863 -0.000 -0.139 0.000 3/32256 490.0 0.648 0.616 0.849 -0.000 -0.136 0.000 3/32256 500.0 0.637 0.605 0.835 -0.000 -0.134 0.000 3/32256 510.0 0.625 0.594 0.822 -0.000 -0.132 0.000 3/32256 520.0 0.615 0.584 0.809 -0.000 -0.130 0.000 3/32256 530.0 0.604 0.574 0.797 -0.000 -0.127 0.000 3/32256 540.0 0.594 0.564 0.785 -0.000 -0.125 0.000 3/32256 550.0 0.584 0.555 0.773 -0.000 -0.123 0.000 3/32256 560.0 0.575 0.546 0.762 -0.000 -0.122 0.000 3/32256 570.0 0.565 0.537 0.751 -0.000 -0.120 0.000 3/32256 580.0 0.557 0.529 0.740 -0.000 -0.118 0.000 3/32256 590.0 0.548 0.521 0.730 -0.000 -0.116 0.000 3/32256 600.0 0.540 0.513 0.720 -0.000 -0.115 0.000 3/32256 610.0 0.531 0.505 0.710 -0.000 -0.113 0.000 3/32256 620.0 0.524 0.498 0.700 -0.000 -0.111 0.000 3/32256 630.0 0.516 0.490 0.691 -0.000 -0.110 0.000 3/32256 640.0 0.508 0.483 0.682 -0.000 -0.108 0.000 3/32256 650.0 0.501 0.477 0.673 -0.000 -0.107 0.000 3/32256 660.0 0.494 0.470 0.664 -0.000 -0.105 0.000 3/32256 670.0 0.487 0.463 0.655 -0.000 -0.104 0.000 3/32256 680.0 0.481 0.457 0.647 -0.000 -0.103 0.000 3/32256 690.0 0.474 0.451 0.639 -0.000 -0.101 0.000 3/32256 700.0 0.468 0.445 0.631 -0.000 -0.100 0.000 3/32256 710.0 0.462 0.439 0.623 -0.000 -0.099 0.000 3/32256 720.0 0.456 0.434 0.616 -0.000 -0.098 0.000 3/32256 730.0 0.450 0.428 0.609 -0.000 -0.096 0.000 3/32256 740.0 0.444 0.423 0.601 -0.000 -0.095 0.000 3/32256 750.0 0.439 0.417 0.594 -0.000 -0.094 0.000 3/32256 760.0 0.433 0.412 0.587 -0.000 -0.093 0.000 3/32256 770.0 0.428 0.407 0.581 -0.000 -0.092 0.000 3/32256 780.0 0.423 0.402 0.574 -0.000 -0.091 0.000 3/32256 790.0 0.418 0.398 0.568 -0.000 -0.090 0.000 3/32256 800.0 0.413 0.393 0.561 -0.000 -0.089 0.000 3/32256 810.0 0.408 0.388 0.555 -0.000 -0.088 0.000 3/32256 820.0 0.404 0.384 0.549 -0.000 -0.087 0.000 3/32256 830.0 0.399 0.379 0.543 -0.000 -0.086 0.000 3/32256 840.0 0.394 0.375 0.537 -0.000 -0.085 0.000 3/32256 850.0 0.390 0.371 0.532 -0.000 -0.084 0.000 3/32256 860.0 0.386 0.367 0.526 -0.000 -0.083 0.000 3/32256 870.0 0.382 0.363 0.521 -0.000 -0.082 0.000 3/32256 880.0 0.377 0.359 0.515 -0.000 -0.081 0.000 3/32256 890.0 0.373 0.355 0.510 -0.000 -0.080 0.000 3/32256 900.0 0.369 0.352 0.505 -0.000 -0.080 0.000 3/32256 910.0 0.366 0.348 0.500 -0.000 -0.079 0.000 3/32256 920.0 0.362 0.344 0.495 -0.000 -0.078 0.000 3/32256 930.0 0.358 0.341 0.490 -0.000 -0.077 0.000 3/32256 940.0 0.354 0.337 0.485 -0.000 -0.076 0.000 3/32256 950.0 0.351 0.334 0.481 -0.000 -0.076 0.000 3/32256 960.0 0.347 0.331 0.476 -0.000 -0.075 0.000 3/32256 970.0 0.344 0.327 0.472 -0.000 -0.074 0.000 3/32256 980.0 0.341 0.324 0.467 -0.000 -0.074 0.000 3/32256 990.0 0.337 0.321 0.463 -0.000 -0.073 0.000 3/32256 1000.0 0.334 0.318 0.459 -0.000 -0.072 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:42:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|