----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:24:33]------------------------- 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: [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.353773720405707 0.000000000000000 0.000000000000000 b 0.000000000000000 11.322527799999998 0.000000000000000 c -0.166754808031431 0.000000000000000 7.663752747671915 Atomic positions (fractional): *1 Li 0.74263820303486 0.26972309046435 0.64298091528730 6.941 2 Li 0.74263820303486 0.23027690953565 0.14298091528730 6.941 3 Li 0.25736179696514 0.73027690953565 0.35701908471270 6.941 4 Li 0.25736179696514 0.76972309046435 0.85701908471270 6.941 *5 Li 0.23751094328565 0.41262045162399 0.86949574181572 6.941 6 Li 0.23751094328565 0.08737954837601 0.36949574181572 6.941 7 Li 0.76248905671435 0.58737954837601 0.13050425818428 6.941 8 Li 0.76248905671435 0.91262045162399 0.63050425818428 6.941 *9 Te 0.27887588825326 0.08512452711772 0.82375937709453 127.600 10 Te 0.72112411174674 0.91487547288228 0.17624062290547 127.600 11 Te 0.72112411174674 0.58512452711772 0.67624062290547 127.600 12 Te 0.27887588825326 0.41487547288228 0.32375937709453 127.600 *13 S 0.27474457945150 0.59529382770844 0.63214380516474 32.065 14 S 0.27474457945150 0.90470617229156 0.13214380516474 32.065 *15 S 0.25462864818852 0.57518589437643 0.12519672805684 32.065 16 S 0.74537135181147 0.42481410562357 0.87480327194316 32.065 *17 S 0.23250571830510 0.25270969081267 0.12146130481652 32.065 18 S 0.76749428169490 0.74729030918733 0.87853869518348 32.065 19 S 0.72525542054850 0.40470617229156 0.36785619483526 32.065 20 S 0.72525542054850 0.09529382770844 0.86785619483526 32.065 21 S 0.25462864818852 0.92481410562357 0.62519672805684 32.065 22 S 0.74537135181147 0.07518589437643 0.37480327194316 32.065 23 S 0.23250571830510 0.24729030918733 0.62146130481652 32.065 24 S 0.76749428169490 0.75270969081267 0.37853869518348 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.353773720405707 0.000000000000000 0.000000000000000 b 0.000000000000000 11.322527799999998 0.000000000000000 c -0.166754808031431 0.000000000000000 7.663752747671915 Atomic positions (fractional): *1 Li 0.74263820303486 0.26972309046435 0.64298091528730 6.941 > 1 2 Li 0.74263820303486 0.23027690953565 0.14298091528730 6.941 > 2 3 Li 0.25736179696514 0.73027690953565 0.35701908471270 6.941 > 3 4 Li 0.25736179696514 0.76972309046435 0.85701908471270 6.941 > 4 *5 Li 0.23751094328565 0.41262045162399 0.86949574181572 6.941 > 5 6 Li 0.23751094328565 0.08737954837601 0.36949574181572 6.941 > 6 7 Li 0.76248905671435 0.58737954837601 0.13050425818428 6.941 > 7 8 Li 0.76248905671435 0.91262045162399 0.63050425818428 6.941 > 8 *9 Te 0.27887588825326 0.08512452711772 0.82375937709453 127.600 > 9 10 Te 0.72112411174674 0.91487547288228 0.17624062290547 127.600 > 10 11 Te 0.72112411174674 0.58512452711772 0.67624062290547 127.600 > 11 12 Te 0.27887588825326 0.41487547288228 0.32375937709453 127.600 > 12 *13 S 0.27474457945150 0.59529382770844 0.63214380516474 32.065 > 13 14 S 0.27474457945150 0.90470617229156 0.13214380516474 32.065 > 14 *15 S 0.25462864818852 0.57518589437643 0.12519672805684 32.065 > 15 16 S 0.74537135181147 0.42481410562357 0.87480327194316 32.065 > 16 *17 S 0.23250571830510 0.25270969081267 0.12146130481652 32.065 > 17 18 S 0.76749428169490 0.74729030918733 0.87853869518348 32.065 > 18 19 S 0.72525542054850 0.40470617229156 0.36785619483526 32.065 > 19 20 S 0.72525542054850 0.09529382770844 0.86785619483526 32.065 > 20 21 S 0.25462864818852 0.92481410562357 0.62519672805684 32.065 > 21 22 S 0.74537135181147 0.07518589437643 0.37480327194316 32.065 > 22 23 S 0.23250571830510 0.24729030918733 0.62146130481652 32.065 > 23 24 S 0.76749428169490 0.75270969081267 0.37853869518348 32.065 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.061321161217123 0.000000000000000 0.000000000000000 b 0.000000000000000 11.322527799999998 0.000000000000000 c -0.333509616062862 0.000000000000000 15.327505495343830 Atomic positions (fractional): *1 Li 0.24754606767829 0.26972309046435 0.32149045764365 6.941 > 1 2 Li 0.58087940101162 0.26972309046435 0.32149045764365 6.941 > 1 3 Li 0.91421273434495 0.26972309046435 0.32149045764365 6.941 > 1 4 Li 0.24754606767829 0.26972309046435 0.82149045764365 6.941 > 1 5 Li 0.58087940101162 0.26972309046435 0.82149045764365 6.941 > 1 6 Li 0.91421273434495 0.26972309046435 0.82149045764365 6.941 > 1 7 Li 0.24754606767829 0.23027690953565 0.07149045764365 6.941 > 2 8 Li 0.58087940101162 0.23027690953565 0.07149045764365 6.941 > 2 9 Li 0.91421273434495 0.23027690953565 0.07149045764365 6.941 > 2 10 Li 0.24754606767829 0.23027690953565 0.57149045764365 6.941 > 2 11 Li 0.58087940101162 0.23027690953565 0.57149045764365 6.941 > 2 12 Li 0.91421273434495 0.23027690953565 0.57149045764365 6.941 > 2 13 Li 0.08578726565505 0.73027690953565 0.17850954235635 6.941 > 3 14 Li 0.41912059898838 0.73027690953565 0.17850954235635 6.941 > 3 15 Li 0.75245393232171 0.73027690953565 0.17850954235635 6.941 > 3 16 Li 0.08578726565505 0.73027690953565 0.67850954235635 6.941 > 3 17 Li 0.41912059898838 0.73027690953565 0.67850954235635 6.941 > 3 18 Li 0.75245393232171 0.73027690953565 0.67850954235635 6.941 > 3 19 Li 0.08578726565505 0.76972309046435 0.42850954235635 6.941 > 4 20 Li 0.41912059898838 0.76972309046435 0.42850954235635 6.941 > 4 21 Li 0.75245393232171 0.76972309046435 0.42850954235635 6.941 > 4 22 Li 0.08578726565505 0.76972309046435 0.92850954235635 6.941 > 4 23 Li 0.41912059898838 0.76972309046435 0.92850954235635 6.941 > 4 24 Li 0.75245393232171 0.76972309046435 0.92850954235635 6.941 > 4 *25 Li 0.07917031442855 0.41262045162399 0.43474787090786 6.941 > 5 26 Li 0.41250364776188 0.41262045162399 0.43474787090786 6.941 > 5 27 Li 0.74583698109522 0.41262045162399 0.43474787090786 6.941 > 5 28 Li 0.07917031442855 0.41262045162399 0.93474787090786 6.941 > 5 29 Li 0.41250364776188 0.41262045162399 0.93474787090786 6.941 > 5 30 Li 0.74583698109522 0.41262045162399 0.93474787090786 6.941 > 5 31 Li 0.07917031442855 0.08737954837601 0.18474787090786 6.941 > 6 32 Li 0.41250364776188 0.08737954837601 0.18474787090786 6.941 > 6 33 Li 0.74583698109522 0.08737954837601 0.18474787090786 6.941 > 6 34 Li 0.07917031442855 0.08737954837601 0.68474787090786 6.941 > 6 35 Li 0.41250364776188 0.08737954837601 0.68474787090786 6.941 > 6 36 Li 0.74583698109522 0.08737954837601 0.68474787090786 6.941 > 6 37 Li 0.25416301890478 0.58737954837601 0.06525212909214 6.941 > 7 38 Li 0.58749635223812 0.58737954837601 0.06525212909214 6.941 > 7 39 Li 0.92082968557145 0.58737954837601 0.06525212909214 6.941 > 7 40 Li 0.25416301890478 0.58737954837601 0.56525212909214 6.941 > 7 41 Li 0.58749635223812 0.58737954837601 0.56525212909214 6.941 > 7 42 Li 0.92082968557145 0.58737954837601 0.56525212909214 6.941 > 7 43 Li 0.25416301890478 0.91262045162399 0.31525212909214 6.941 > 8 44 Li 0.58749635223812 0.91262045162399 0.31525212909214 6.941 > 8 45 Li 0.92082968557145 0.91262045162399 0.31525212909214 6.941 > 8 46 Li 0.25416301890478 0.91262045162399 0.81525212909214 6.941 > 8 47 Li 0.58749635223812 0.91262045162399 0.81525212909214 6.941 > 8 48 Li 0.92082968557145 0.91262045162399 0.81525212909214 6.941 > 8 *49 Te 0.09295862941775 0.08512452711772 0.41187968854727 127.600 > 9 50 Te 0.42629196275109 0.08512452711772 0.41187968854727 127.600 > 9 51 Te 0.75962529608442 0.08512452711772 0.41187968854727 127.600 > 9 52 Te 0.09295862941775 0.08512452711772 0.91187968854727 127.600 > 9 53 Te 0.42629196275109 0.08512452711772 0.91187968854727 127.600 > 9 54 Te 0.75962529608442 0.08512452711772 0.91187968854727 127.600 > 9 55 Te 0.24037470391558 0.91487547288228 0.08812031145273 127.600 > 10 56 Te 0.57370803724891 0.91487547288228 0.08812031145273 127.600 > 10 57 Te 0.90704137058225 0.91487547288228 0.08812031145273 127.600 > 10 58 Te 0.24037470391558 0.91487547288228 0.58812031145273 127.600 > 10 59 Te 0.57370803724891 0.91487547288228 0.58812031145273 127.600 > 10 60 Te 0.90704137058225 0.91487547288228 0.58812031145273 127.600 > 10 61 Te 0.24037470391558 0.58512452711772 0.33812031145273 127.600 > 11 62 Te 0.57370803724891 0.58512452711772 0.33812031145273 127.600 > 11 63 Te 0.90704137058225 0.58512452711772 0.33812031145273 127.600 > 11 64 Te 0.24037470391558 0.58512452711772 0.83812031145273 127.600 > 11 65 Te 0.57370803724891 0.58512452711772 0.83812031145273 127.600 > 11 66 Te 0.90704137058225 0.58512452711772 0.83812031145273 127.600 > 11 67 Te 0.09295862941775 0.41487547288228 0.16187968854727 127.600 > 12 68 Te 0.42629196275109 0.41487547288228 0.16187968854727 127.600 > 12 69 Te 0.75962529608442 0.41487547288228 0.16187968854727 127.600 > 12 70 Te 0.09295862941775 0.41487547288228 0.66187968854727 127.600 > 12 71 Te 0.42629196275109 0.41487547288228 0.66187968854727 127.600 > 12 72 Te 0.75962529608442 0.41487547288228 0.66187968854727 127.600 > 12 *73 S 0.09158152648383 0.59529382770844 0.31607190258237 32.065 > 13 74 S 0.42491485981717 0.59529382770844 0.31607190258237 32.065 > 13 75 S 0.75824819315050 0.59529382770844 0.31607190258237 32.065 > 13 76 S 0.09158152648383 0.59529382770844 0.81607190258237 32.065 > 13 77 S 0.42491485981717 0.59529382770844 0.81607190258237 32.065 > 13 78 S 0.75824819315050 0.59529382770844 0.81607190258237 32.065 > 13 79 S 0.09158152648383 0.90470617229156 0.06607190258237 32.065 > 14 80 S 0.42491485981717 0.90470617229156 0.06607190258237 32.065 > 14 81 S 0.75824819315050 0.90470617229156 0.06607190258237 32.065 > 14 82 S 0.09158152648383 0.90470617229156 0.56607190258237 32.065 > 14 83 S 0.42491485981717 0.90470617229156 0.56607190258237 32.065 > 14 84 S 0.75824819315050 0.90470617229156 0.56607190258237 32.065 > 14 *85 S 0.08487621606284 0.57518589437643 0.06259836402842 32.065 > 15 86 S 0.41820954939617 0.57518589437643 0.06259836402842 32.065 > 15 87 S 0.75154288272951 0.57518589437643 0.06259836402842 32.065 > 15 88 S 0.08487621606284 0.57518589437643 0.56259836402842 32.065 > 15 89 S 0.41820954939617 0.57518589437643 0.56259836402842 32.065 > 15 90 S 0.75154288272951 0.57518589437643 0.56259836402842 32.065 > 15 91 S 0.24845711727049 0.42481410562357 0.43740163597158 32.065 > 16 92 S 0.58179045060382 0.42481410562357 0.43740163597158 32.065 > 16 93 S 0.91512378393716 0.42481410562357 0.43740163597158 32.065 > 16 94 S 0.24845711727049 0.42481410562357 0.93740163597158 32.065 > 16 95 S 0.58179045060382 0.42481410562357 0.93740163597158 32.065 > 16 96 S 0.91512378393716 0.42481410562357 0.93740163597158 32.065 > 16 *97 S 0.07750190610170 0.25270969081267 0.06073065240826 32.065 > 17 98 S 0.41083523943503 0.25270969081267 0.06073065240826 32.065 > 17 99 S 0.74416857276837 0.25270969081267 0.06073065240826 32.065 > 17 100 S 0.07750190610170 0.25270969081267 0.56073065240826 32.065 > 17 101 S 0.41083523943503 0.25270969081267 0.56073065240826 32.065 > 17 102 S 0.74416857276837 0.25270969081267 0.56073065240826 32.065 > 17 103 S 0.25583142723163 0.74729030918733 0.43926934759174 32.065 > 18 104 S 0.58916476056497 0.74729030918733 0.43926934759174 32.065 > 18 105 S 0.92249809389830 0.74729030918733 0.43926934759174 32.065 > 18 106 S 0.25583142723163 0.74729030918733 0.93926934759174 32.065 > 18 107 S 0.58916476056497 0.74729030918733 0.93926934759174 32.065 > 18 108 S 0.92249809389830 0.74729030918733 0.93926934759174 32.065 > 18 109 S 0.24175180684950 0.40470617229156 0.18392809741763 32.065 > 19 110 S 0.57508514018283 0.40470617229156 0.18392809741763 32.065 > 19 111 S 0.90841847351617 0.40470617229156 0.18392809741763 32.065 > 19 112 S 0.24175180684950 0.40470617229156 0.68392809741763 32.065 > 19 113 S 0.57508514018283 0.40470617229156 0.68392809741763 32.065 > 19 114 S 0.90841847351617 0.40470617229156 0.68392809741763 32.065 > 19 115 S 0.24175180684950 0.09529382770844 0.43392809741763 32.065 > 20 116 S 0.57508514018283 0.09529382770844 0.43392809741763 32.065 > 20 117 S 0.90841847351617 0.09529382770844 0.43392809741763 32.065 > 20 118 S 0.24175180684950 0.09529382770844 0.93392809741763 32.065 > 20 119 S 0.57508514018283 0.09529382770844 0.93392809741763 32.065 > 20 120 S 0.90841847351617 0.09529382770844 0.93392809741763 32.065 > 20 121 S 0.08487621606284 0.92481410562357 0.31259836402842 32.065 > 21 122 S 0.41820954939617 0.92481410562357 0.31259836402842 32.065 > 21 123 S 0.75154288272951 0.92481410562357 0.31259836402842 32.065 > 21 124 S 0.08487621606284 0.92481410562357 0.81259836402842 32.065 > 21 125 S 0.41820954939617 0.92481410562357 0.81259836402842 32.065 > 21 126 S 0.75154288272951 0.92481410562357 0.81259836402842 32.065 > 21 127 S 0.24845711727049 0.07518589437643 0.18740163597158 32.065 > 22 128 S 0.58179045060382 0.07518589437643 0.18740163597158 32.065 > 22 129 S 0.91512378393716 0.07518589437643 0.18740163597158 32.065 > 22 130 S 0.24845711727049 0.07518589437643 0.68740163597158 32.065 > 22 131 S 0.58179045060382 0.07518589437643 0.68740163597158 32.065 > 22 132 S 0.91512378393716 0.07518589437643 0.68740163597158 32.065 > 22 133 S 0.07750190610170 0.24729030918733 0.31073065240826 32.065 > 23 134 S 0.41083523943503 0.24729030918733 0.31073065240826 32.065 > 23 135 S 0.74416857276837 0.24729030918733 0.31073065240826 32.065 > 23 136 S 0.07750190610170 0.24729030918733 0.81073065240826 32.065 > 23 137 S 0.41083523943503 0.24729030918733 0.81073065240826 32.065 > 23 138 S 0.74416857276837 0.24729030918733 0.81073065240826 32.065 > 23 139 S 0.25583142723163 0.75270969081267 0.18926934759174 32.065 > 24 140 S 0.58916476056497 0.75270969081267 0.18926934759174 32.065 > 24 141 S 0.92249809389830 0.75270969081267 0.18926934759174 32.065 > 24 142 S 0.25583142723163 0.75270969081267 0.68926934759174 32.065 > 24 143 S 0.58916476056497 0.75270969081267 0.68926934759174 32.065 > 24 144 S 0.92249809389830 0.75270969081267 0.68926934759174 32.065 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 20.0194611 0.0000000 1.3949685 0.0000000 9.3977485 0.0000000 1.3949747 0.0000000 9.6019729 -------------------------- Born effective charges -------------------------- 1 Li 1.4249380 0.0067921 -0.0089036 -0.0044496 1.6121616 0.2204504 0.0051842 -0.1090111 1.1740970 2 Li 1.4249380 -0.0067921 -0.0089036 0.0044496 1.6121616 -0.2204504 0.0051842 0.1090111 1.1740970 3 Li 1.4249380 0.0067921 -0.0089036 -0.0044496 1.6121616 0.2204504 0.0051842 -0.1090111 1.1740970 4 Li 1.4249380 -0.0067921 -0.0089036 0.0044496 1.6121616 -0.2204504 0.0051842 0.1090111 1.1740970 5 Li 1.4066612 0.1288741 -0.1087218 0.0182406 1.0316321 0.0578260 -0.0374759 -0.0591988 1.3027692 6 Li 1.4066612 -0.1288741 -0.1087218 -0.0182406 1.0316321 -0.0578260 -0.0374759 0.0591988 1.3027692 7 Li 1.4066612 0.1288741 -0.1087218 0.0182406 1.0316321 0.0578260 -0.0374759 -0.0591988 1.3027692 8 Li 1.4066612 -0.1288741 -0.1087218 -0.0182406 1.0316321 -0.0578260 -0.0374759 0.0591988 1.3027692 9 Te 3.2673517 -0.1430687 1.5204291 -0.7115230 4.3204540 0.2372837 1.0118230 -0.4284692 4.2412254 10 Te 3.2673517 -0.1430687 1.5204291 -0.7115230 4.3204540 0.2372837 1.0118230 -0.4284692 4.2412254 11 Te 3.2673517 0.1430687 1.5204291 0.7115230 4.3204540 -0.2372837 1.0118230 0.4284692 4.2412254 12 Te 3.2673517 0.1430687 1.5204291 0.7115230 4.3204540 -0.2372837 1.0118230 0.4284692 4.2412254 13 S -4.7635232 0.0387028 -0.7238462 -0.2914261 -1.8891542 -0.4822458 -0.8100752 -0.6841631 -2.0404655 14 S -4.7635232 -0.0387028 -0.7238462 0.2914261 -1.8891542 0.4822458 -0.8100752 0.6841631 -2.0404655 15 S -0.5279990 0.2915818 -0.3336047 -0.1317912 -2.3097173 1.2148064 0.0846901 0.9377289 -2.1033839 16 S -0.5279990 0.2915818 -0.3336047 -0.1317912 -2.3097173 1.2148064 0.0846901 0.9377289 -2.1033839 17 S -0.8074288 -0.2949612 -0.3453528 -0.1904544 -2.7653762 -0.8862270 -0.2541462 -1.3376587 -2.5742421 18 S -0.8074288 -0.2949612 -0.3453528 -0.1904544 -2.7653762 -0.8862270 -0.2541462 -1.3376587 -2.5742421 19 S -4.7635232 0.0387028 -0.7238462 -0.2914261 -1.8891542 -0.4822458 -0.8100752 -0.6841631 -2.0404655 20 S -4.7635232 -0.0387028 -0.7238462 0.2914261 -1.8891542 0.4822458 -0.8100752 0.6841631 -2.0404655 21 S -0.5279990 -0.2915818 -0.3336047 0.1317912 -2.3097173 -1.2148064 0.0846901 -0.9377289 -2.1033839 22 S -0.5279990 -0.2915818 -0.3336047 0.1317912 -2.3097173 -1.2148064 0.0846901 -0.9377289 -2.1033839 23 S -0.8074288 0.2949612 -0.3453528 0.1904544 -2.7653762 0.8862270 -0.2541462 1.3376587 -2.5742421 24 S -0.8074288 0.2949612 -0.3453528 0.1904544 -2.7653762 0.8862270 -0.2541462 1.3376587 -2.5742421 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (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: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (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: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 1.423 Solver_block: 200 / 720 - Time: 1.268 Solver_block: 300 / 720 - Time: 1.269 Solver_block: 400 / 720 - Time: 1.273 Solver_block: 500 / 720 - Time: 1.269 Solver_block: 600 / 720 - Time: 1.267 Solver_block: 700 / 720 - Time: 1.271 Solver_block: 720 / 720 - Time: 0.382 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.641 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (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: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (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: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), 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 14:25:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:25:22]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.353773720405707 0.000000000000000 0.000000000000000 b 0.000000000000000 11.322527799999998 0.000000000000000 c -0.166754808031431 0.000000000000000 7.663752747671915 Atomic positions (fractional): 1 Li 0.74263820303486 0.26972309046435 0.64298091528730 6.941 2 Li 0.74263820303486 0.23027690953565 0.14298091528730 6.941 3 Li 0.25736179696514 0.73027690953565 0.35701908471270 6.941 4 Li 0.25736179696514 0.76972309046435 0.85701908471270 6.941 5 Li 0.23751094328565 0.41262045162399 0.86949574181572 6.941 6 Li 0.23751094328565 0.08737954837601 0.36949574181572 6.941 7 Li 0.76248905671435 0.58737954837601 0.13050425818428 6.941 8 Li 0.76248905671435 0.91262045162399 0.63050425818428 6.941 9 Te 0.27887588825326 0.08512452711772 0.82375937709453 127.600 10 Te 0.72112411174674 0.91487547288228 0.17624062290547 127.600 11 Te 0.72112411174674 0.58512452711772 0.67624062290547 127.600 12 Te 0.27887588825326 0.41487547288228 0.32375937709453 127.600 13 S 0.27474457945150 0.59529382770844 0.63214380516474 32.065 14 S 0.27474457945150 0.90470617229156 0.13214380516474 32.065 15 S 0.25462864818852 0.57518589437643 0.12519672805684 32.065 16 S 0.74537135181147 0.42481410562357 0.87480327194316 32.065 17 S 0.23250571830510 0.25270969081267 0.12146130481652 32.065 18 S 0.76749428169490 0.74729030918733 0.87853869518348 32.065 19 S 0.72525542054850 0.40470617229156 0.36785619483526 32.065 20 S 0.72525542054850 0.09529382770844 0.86785619483526 32.065 21 S 0.25462864818852 0.92481410562357 0.62519672805684 32.065 22 S 0.74537135181147 0.07518589437643 0.37480327194316 32.065 23 S 0.23250571830510 0.24729030918733 0.62146130481652 32.065 24 S 0.76749428169490 0.75270969081267 0.37853869518348 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.061321161217123 0.000000000000000 0.000000000000000 b 0.000000000000000 11.322527799999998 0.000000000000000 c -0.333509616062862 0.000000000000000 15.327505495343830 Atomic positions (fractional): 1 Li 0.24754606767829 0.26972309046435 0.32149045764365 6.941 > 1 2 Li 0.58087940101162 0.26972309046435 0.32149045764365 6.941 > 1 3 Li 0.91421273434495 0.26972309046435 0.32149045764365 6.941 > 1 4 Li 0.24754606767829 0.26972309046435 0.82149045764365 6.941 > 1 5 Li 0.58087940101162 0.26972309046435 0.82149045764365 6.941 > 1 6 Li 0.91421273434495 0.26972309046435 0.82149045764365 6.941 > 1 7 Li 0.24754606767829 0.23027690953565 0.07149045764365 6.941 > 7 8 Li 0.58087940101162 0.23027690953565 0.07149045764365 6.941 > 7 9 Li 0.91421273434495 0.23027690953565 0.07149045764365 6.941 > 7 10 Li 0.24754606767829 0.23027690953565 0.57149045764365 6.941 > 7 11 Li 0.58087940101162 0.23027690953565 0.57149045764365 6.941 > 7 12 Li 0.91421273434495 0.23027690953565 0.57149045764365 6.941 > 7 13 Li 0.08578726565505 0.73027690953565 0.17850954235635 6.941 > 13 14 Li 0.41912059898838 0.73027690953565 0.17850954235635 6.941 > 13 15 Li 0.75245393232171 0.73027690953565 0.17850954235635 6.941 > 13 16 Li 0.08578726565505 0.73027690953565 0.67850954235635 6.941 > 13 17 Li 0.41912059898838 0.73027690953565 0.67850954235635 6.941 > 13 18 Li 0.75245393232171 0.73027690953565 0.67850954235635 6.941 > 13 19 Li 0.08578726565505 0.76972309046435 0.42850954235635 6.941 > 19 20 Li 0.41912059898838 0.76972309046435 0.42850954235635 6.941 > 19 21 Li 0.75245393232171 0.76972309046435 0.42850954235635 6.941 > 19 22 Li 0.08578726565505 0.76972309046435 0.92850954235635 6.941 > 19 23 Li 0.41912059898838 0.76972309046435 0.92850954235635 6.941 > 19 24 Li 0.75245393232171 0.76972309046435 0.92850954235635 6.941 > 19 25 Li 0.07917031442855 0.41262045162399 0.43474787090786 6.941 > 25 26 Li 0.41250364776188 0.41262045162399 0.43474787090786 6.941 > 25 27 Li 0.74583698109522 0.41262045162399 0.43474787090786 6.941 > 25 28 Li 0.07917031442855 0.41262045162399 0.93474787090786 6.941 > 25 29 Li 0.41250364776188 0.41262045162399 0.93474787090786 6.941 > 25 30 Li 0.74583698109522 0.41262045162399 0.93474787090786 6.941 > 25 31 Li 0.07917031442855 0.08737954837601 0.18474787090786 6.941 > 31 32 Li 0.41250364776188 0.08737954837601 0.18474787090786 6.941 > 31 33 Li 0.74583698109522 0.08737954837601 0.18474787090786 6.941 > 31 34 Li 0.07917031442855 0.08737954837601 0.68474787090786 6.941 > 31 35 Li 0.41250364776188 0.08737954837601 0.68474787090786 6.941 > 31 36 Li 0.74583698109522 0.08737954837601 0.68474787090786 6.941 > 31 37 Li 0.25416301890478 0.58737954837601 0.06525212909214 6.941 > 37 38 Li 0.58749635223812 0.58737954837601 0.06525212909214 6.941 > 37 39 Li 0.92082968557145 0.58737954837601 0.06525212909214 6.941 > 37 40 Li 0.25416301890478 0.58737954837601 0.56525212909214 6.941 > 37 41 Li 0.58749635223812 0.58737954837601 0.56525212909214 6.941 > 37 42 Li 0.92082968557145 0.58737954837601 0.56525212909214 6.941 > 37 43 Li 0.25416301890478 0.91262045162399 0.31525212909214 6.941 > 43 44 Li 0.58749635223812 0.91262045162399 0.31525212909214 6.941 > 43 45 Li 0.92082968557145 0.91262045162399 0.31525212909214 6.941 > 43 46 Li 0.25416301890478 0.91262045162399 0.81525212909214 6.941 > 43 47 Li 0.58749635223812 0.91262045162399 0.81525212909214 6.941 > 43 48 Li 0.92082968557145 0.91262045162399 0.81525212909214 6.941 > 43 49 Te 0.09295862941775 0.08512452711772 0.41187968854727 127.600 > 49 50 Te 0.42629196275109 0.08512452711772 0.41187968854727 127.600 > 49 51 Te 0.75962529608442 0.08512452711772 0.41187968854727 127.600 > 49 52 Te 0.09295862941775 0.08512452711772 0.91187968854727 127.600 > 49 53 Te 0.42629196275109 0.08512452711772 0.91187968854727 127.600 > 49 54 Te 0.75962529608442 0.08512452711772 0.91187968854727 127.600 > 49 55 Te 0.24037470391558 0.91487547288228 0.08812031145273 127.600 > 55 56 Te 0.57370803724891 0.91487547288228 0.08812031145273 127.600 > 55 57 Te 0.90704137058225 0.91487547288228 0.08812031145273 127.600 > 55 58 Te 0.24037470391558 0.91487547288228 0.58812031145273 127.600 > 55 59 Te 0.57370803724891 0.91487547288228 0.58812031145273 127.600 > 55 60 Te 0.90704137058225 0.91487547288228 0.58812031145273 127.600 > 55 61 Te 0.24037470391558 0.58512452711772 0.33812031145273 127.600 > 61 62 Te 0.57370803724891 0.58512452711772 0.33812031145273 127.600 > 61 63 Te 0.90704137058225 0.58512452711772 0.33812031145273 127.600 > 61 64 Te 0.24037470391558 0.58512452711772 0.83812031145273 127.600 > 61 65 Te 0.57370803724891 0.58512452711772 0.83812031145273 127.600 > 61 66 Te 0.90704137058225 0.58512452711772 0.83812031145273 127.600 > 61 67 Te 0.09295862941775 0.41487547288228 0.16187968854727 127.600 > 67 68 Te 0.42629196275109 0.41487547288228 0.16187968854727 127.600 > 67 69 Te 0.75962529608442 0.41487547288228 0.16187968854727 127.600 > 67 70 Te 0.09295862941775 0.41487547288228 0.66187968854727 127.600 > 67 71 Te 0.42629196275109 0.41487547288228 0.66187968854727 127.600 > 67 72 Te 0.75962529608442 0.41487547288228 0.66187968854727 127.600 > 67 73 S 0.09158152648383 0.59529382770844 0.31607190258237 32.065 > 73 74 S 0.42491485981717 0.59529382770844 0.31607190258237 32.065 > 73 75 S 0.75824819315050 0.59529382770844 0.31607190258237 32.065 > 73 76 S 0.09158152648383 0.59529382770844 0.81607190258237 32.065 > 73 77 S 0.42491485981717 0.59529382770844 0.81607190258237 32.065 > 73 78 S 0.75824819315050 0.59529382770844 0.81607190258237 32.065 > 73 79 S 0.09158152648383 0.90470617229156 0.06607190258237 32.065 > 79 80 S 0.42491485981717 0.90470617229156 0.06607190258237 32.065 > 79 81 S 0.75824819315050 0.90470617229156 0.06607190258237 32.065 > 79 82 S 0.09158152648383 0.90470617229156 0.56607190258237 32.065 > 79 83 S 0.42491485981717 0.90470617229156 0.56607190258237 32.065 > 79 84 S 0.75824819315050 0.90470617229156 0.56607190258237 32.065 > 79 85 S 0.08487621606284 0.57518589437643 0.06259836402842 32.065 > 85 86 S 0.41820954939617 0.57518589437643 0.06259836402842 32.065 > 85 87 S 0.75154288272951 0.57518589437643 0.06259836402842 32.065 > 85 88 S 0.08487621606284 0.57518589437643 0.56259836402842 32.065 > 85 89 S 0.41820954939617 0.57518589437643 0.56259836402842 32.065 > 85 90 S 0.75154288272951 0.57518589437643 0.56259836402842 32.065 > 85 91 S 0.24845711727049 0.42481410562357 0.43740163597158 32.065 > 91 92 S 0.58179045060382 0.42481410562357 0.43740163597158 32.065 > 91 93 S 0.91512378393716 0.42481410562357 0.43740163597158 32.065 > 91 94 S 0.24845711727049 0.42481410562357 0.93740163597158 32.065 > 91 95 S 0.58179045060382 0.42481410562357 0.93740163597158 32.065 > 91 96 S 0.91512378393716 0.42481410562357 0.93740163597158 32.065 > 91 97 S 0.07750190610170 0.25270969081267 0.06073065240826 32.065 > 97 98 S 0.41083523943503 0.25270969081267 0.06073065240826 32.065 > 97 99 S 0.74416857276837 0.25270969081267 0.06073065240826 32.065 > 97 100 S 0.07750190610170 0.25270969081267 0.56073065240826 32.065 > 97 101 S 0.41083523943503 0.25270969081267 0.56073065240826 32.065 > 97 102 S 0.74416857276837 0.25270969081267 0.56073065240826 32.065 > 97 103 S 0.25583142723163 0.74729030918733 0.43926934759174 32.065 > 103 104 S 0.58916476056497 0.74729030918733 0.43926934759174 32.065 > 103 105 S 0.92249809389830 0.74729030918733 0.43926934759174 32.065 > 103 106 S 0.25583142723163 0.74729030918733 0.93926934759174 32.065 > 103 107 S 0.58916476056497 0.74729030918733 0.93926934759174 32.065 > 103 108 S 0.92249809389830 0.74729030918733 0.93926934759174 32.065 > 103 109 S 0.24175180684950 0.40470617229156 0.18392809741763 32.065 > 109 110 S 0.57508514018283 0.40470617229156 0.18392809741763 32.065 > 109 111 S 0.90841847351617 0.40470617229156 0.18392809741763 32.065 > 109 112 S 0.24175180684950 0.40470617229156 0.68392809741763 32.065 > 109 113 S 0.57508514018283 0.40470617229156 0.68392809741763 32.065 > 109 114 S 0.90841847351617 0.40470617229156 0.68392809741763 32.065 > 109 115 S 0.24175180684950 0.09529382770844 0.43392809741763 32.065 > 115 116 S 0.57508514018283 0.09529382770844 0.43392809741763 32.065 > 115 117 S 0.90841847351617 0.09529382770844 0.43392809741763 32.065 > 115 118 S 0.24175180684950 0.09529382770844 0.93392809741763 32.065 > 115 119 S 0.57508514018283 0.09529382770844 0.93392809741763 32.065 > 115 120 S 0.90841847351617 0.09529382770844 0.93392809741763 32.065 > 115 121 S 0.08487621606284 0.92481410562357 0.31259836402842 32.065 > 121 122 S 0.41820954939617 0.92481410562357 0.31259836402842 32.065 > 121 123 S 0.75154288272951 0.92481410562357 0.31259836402842 32.065 > 121 124 S 0.08487621606284 0.92481410562357 0.81259836402842 32.065 > 121 125 S 0.41820954939617 0.92481410562357 0.81259836402842 32.065 > 121 126 S 0.75154288272951 0.92481410562357 0.81259836402842 32.065 > 121 127 S 0.24845711727049 0.07518589437643 0.18740163597158 32.065 > 127 128 S 0.58179045060382 0.07518589437643 0.18740163597158 32.065 > 127 129 S 0.91512378393716 0.07518589437643 0.18740163597158 32.065 > 127 130 S 0.24845711727049 0.07518589437643 0.68740163597158 32.065 > 127 131 S 0.58179045060382 0.07518589437643 0.68740163597158 32.065 > 127 132 S 0.91512378393716 0.07518589437643 0.68740163597158 32.065 > 127 133 S 0.07750190610170 0.24729030918733 0.31073065240826 32.065 > 133 134 S 0.41083523943503 0.24729030918733 0.31073065240826 32.065 > 133 135 S 0.74416857276837 0.24729030918733 0.31073065240826 32.065 > 133 136 S 0.07750190610170 0.24729030918733 0.81073065240826 32.065 > 133 137 S 0.41083523943503 0.24729030918733 0.81073065240826 32.065 > 133 138 S 0.74416857276837 0.24729030918733 0.81073065240826 32.065 > 133 139 S 0.25583142723163 0.75270969081267 0.18926934759174 32.065 > 139 140 S 0.58916476056497 0.75270969081267 0.18926934759174 32.065 > 139 141 S 0.92249809389830 0.75270969081267 0.18926934759174 32.065 > 139 142 S 0.25583142723163 0.75270969081267 0.68926934759174 32.065 > 139 143 S 0.58916476056497 0.75270969081267 0.68926934759174 32.065 > 139 144 S 0.92249809389830 0.75270969081267 0.68926934759174 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 20.0194611 0.0000000 1.3949685 0.0000000 9.3977485 0.0000000 1.3949747 0.0000000 9.6019729 -------------------------- Born effective charges -------------------------- 1 Li 1.4249380 0.0067921 -0.0089036 -0.0044496 1.6121616 0.2204504 0.0051842 -0.1090111 1.1740970 2 Li 1.4249380 -0.0067921 -0.0089036 0.0044496 1.6121616 -0.2204504 0.0051842 0.1090111 1.1740970 3 Li 1.4249380 0.0067921 -0.0089036 -0.0044496 1.6121616 0.2204504 0.0051842 -0.1090111 1.1740970 4 Li 1.4249380 -0.0067921 -0.0089036 0.0044496 1.6121616 -0.2204504 0.0051842 0.1090111 1.1740970 5 Li 1.4066612 0.1288741 -0.1087218 0.0182406 1.0316321 0.0578260 -0.0374759 -0.0591988 1.3027692 6 Li 1.4066612 -0.1288741 -0.1087218 -0.0182406 1.0316321 -0.0578260 -0.0374759 0.0591988 1.3027692 7 Li 1.4066612 0.1288741 -0.1087218 0.0182406 1.0316321 0.0578260 -0.0374759 -0.0591988 1.3027692 8 Li 1.4066612 -0.1288741 -0.1087218 -0.0182406 1.0316321 -0.0578260 -0.0374759 0.0591988 1.3027692 9 Te 3.2673517 -0.1430687 1.5204291 -0.7115230 4.3204540 0.2372837 1.0118230 -0.4284692 4.2412254 10 Te 3.2673517 -0.1430687 1.5204291 -0.7115230 4.3204540 0.2372837 1.0118230 -0.4284692 4.2412254 11 Te 3.2673517 0.1430687 1.5204291 0.7115230 4.3204540 -0.2372837 1.0118230 0.4284692 4.2412254 12 Te 3.2673517 0.1430687 1.5204291 0.7115230 4.3204540 -0.2372837 1.0118230 0.4284692 4.2412254 13 S -4.7635232 0.0387028 -0.7238462 -0.2914261 -1.8891542 -0.4822458 -0.8100752 -0.6841631 -2.0404655 14 S -4.7635232 -0.0387028 -0.7238462 0.2914261 -1.8891542 0.4822458 -0.8100752 0.6841631 -2.0404655 15 S -0.5279990 0.2915818 -0.3336047 -0.1317912 -2.3097173 1.2148064 0.0846901 0.9377289 -2.1033839 16 S -0.5279990 0.2915818 -0.3336047 -0.1317912 -2.3097173 1.2148064 0.0846901 0.9377289 -2.1033839 17 S -0.8074288 -0.2949612 -0.3453528 -0.1904544 -2.7653762 -0.8862270 -0.2541462 -1.3376587 -2.5742421 18 S -0.8074288 -0.2949612 -0.3453528 -0.1904544 -2.7653762 -0.8862270 -0.2541462 -1.3376587 -2.5742421 19 S -4.7635232 0.0387028 -0.7238462 -0.2914261 -1.8891542 -0.4822458 -0.8100752 -0.6841631 -2.0404655 20 S -4.7635232 -0.0387028 -0.7238462 0.2914261 -1.8891542 0.4822458 -0.8100752 0.6841631 -2.0404655 21 S -0.5279990 -0.2915818 -0.3336047 0.1317912 -2.3097173 -1.2148064 0.0846901 -0.9377289 -2.1033839 22 S -0.5279990 -0.2915818 -0.3336047 0.1317912 -2.3097173 -1.2148064 0.0846901 -0.9377289 -2.1033839 23 S -0.8074288 0.2949612 -0.3453528 0.1904544 -2.7653762 0.8862270 -0.2541462 1.3376587 -2.5742421 24 S -0.8074288 0.2949612 -0.3453528 0.1904544 -2.7653762 0.8862270 -0.2541462 1.3376587 -2.5742421 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 73, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 85, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 14:26:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:26:04]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.353773720405707 0.000000000000000 0.000000000000000 b 0.000000000000000 11.322527799999998 0.000000000000000 c -0.166754808031431 0.000000000000000 7.663752747671915 Atomic positions (fractional): 1 Li 0.74263820303486 0.26972309046435 0.64298091528730 6.941 2 Li 0.74263820303486 0.23027690953565 0.14298091528730 6.941 3 Li 0.25736179696514 0.73027690953565 0.35701908471270 6.941 4 Li 0.25736179696514 0.76972309046435 0.85701908471270 6.941 5 Li 0.23751094328565 0.41262045162399 0.86949574181572 6.941 6 Li 0.23751094328565 0.08737954837601 0.36949574181572 6.941 7 Li 0.76248905671435 0.58737954837601 0.13050425818428 6.941 8 Li 0.76248905671435 0.91262045162399 0.63050425818428 6.941 9 Te 0.27887588825326 0.08512452711772 0.82375937709453 127.600 10 Te 0.72112411174674 0.91487547288228 0.17624062290547 127.600 11 Te 0.72112411174674 0.58512452711772 0.67624062290547 127.600 12 Te 0.27887588825326 0.41487547288228 0.32375937709453 127.600 13 S 0.27474457945150 0.59529382770844 0.63214380516474 32.065 14 S 0.27474457945150 0.90470617229156 0.13214380516474 32.065 15 S 0.25462864818852 0.57518589437643 0.12519672805684 32.065 16 S 0.74537135181147 0.42481410562357 0.87480327194316 32.065 17 S 0.23250571830510 0.25270969081267 0.12146130481652 32.065 18 S 0.76749428169490 0.74729030918733 0.87853869518348 32.065 19 S 0.72525542054850 0.40470617229156 0.36785619483526 32.065 20 S 0.72525542054850 0.09529382770844 0.86785619483526 32.065 21 S 0.25462864818852 0.92481410562357 0.62519672805684 32.065 22 S 0.74537135181147 0.07518589437643 0.37480327194316 32.065 23 S 0.23250571830510 0.24729030918733 0.62146130481652 32.065 24 S 0.76749428169490 0.75270969081267 0.37853869518348 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.061321161217123 0.000000000000000 0.000000000000000 b 0.000000000000000 11.322527799999998 0.000000000000000 c -0.333509616062862 0.000000000000000 15.327505495343830 Atomic positions (fractional): 1 Li 0.24754606767829 0.26972309046435 0.32149045764365 6.941 > 1 2 Li 0.58087940101162 0.26972309046435 0.32149045764365 6.941 > 1 3 Li 0.91421273434495 0.26972309046435 0.32149045764365 6.941 > 1 4 Li 0.24754606767829 0.26972309046435 0.82149045764365 6.941 > 1 5 Li 0.58087940101162 0.26972309046435 0.82149045764365 6.941 > 1 6 Li 0.91421273434495 0.26972309046435 0.82149045764365 6.941 > 1 7 Li 0.24754606767829 0.23027690953565 0.07149045764365 6.941 > 7 8 Li 0.58087940101162 0.23027690953565 0.07149045764365 6.941 > 7 9 Li 0.91421273434495 0.23027690953565 0.07149045764365 6.941 > 7 10 Li 0.24754606767829 0.23027690953565 0.57149045764365 6.941 > 7 11 Li 0.58087940101162 0.23027690953565 0.57149045764365 6.941 > 7 12 Li 0.91421273434495 0.23027690953565 0.57149045764365 6.941 > 7 13 Li 0.08578726565505 0.73027690953565 0.17850954235635 6.941 > 13 14 Li 0.41912059898838 0.73027690953565 0.17850954235635 6.941 > 13 15 Li 0.75245393232171 0.73027690953565 0.17850954235635 6.941 > 13 16 Li 0.08578726565505 0.73027690953565 0.67850954235635 6.941 > 13 17 Li 0.41912059898838 0.73027690953565 0.67850954235635 6.941 > 13 18 Li 0.75245393232171 0.73027690953565 0.67850954235635 6.941 > 13 19 Li 0.08578726565505 0.76972309046435 0.42850954235635 6.941 > 19 20 Li 0.41912059898838 0.76972309046435 0.42850954235635 6.941 > 19 21 Li 0.75245393232171 0.76972309046435 0.42850954235635 6.941 > 19 22 Li 0.08578726565505 0.76972309046435 0.92850954235635 6.941 > 19 23 Li 0.41912059898838 0.76972309046435 0.92850954235635 6.941 > 19 24 Li 0.75245393232171 0.76972309046435 0.92850954235635 6.941 > 19 25 Li 0.07917031442855 0.41262045162399 0.43474787090786 6.941 > 25 26 Li 0.41250364776188 0.41262045162399 0.43474787090786 6.941 > 25 27 Li 0.74583698109522 0.41262045162399 0.43474787090786 6.941 > 25 28 Li 0.07917031442855 0.41262045162399 0.93474787090786 6.941 > 25 29 Li 0.41250364776188 0.41262045162399 0.93474787090786 6.941 > 25 30 Li 0.74583698109522 0.41262045162399 0.93474787090786 6.941 > 25 31 Li 0.07917031442855 0.08737954837601 0.18474787090786 6.941 > 31 32 Li 0.41250364776188 0.08737954837601 0.18474787090786 6.941 > 31 33 Li 0.74583698109522 0.08737954837601 0.18474787090786 6.941 > 31 34 Li 0.07917031442855 0.08737954837601 0.68474787090786 6.941 > 31 35 Li 0.41250364776188 0.08737954837601 0.68474787090786 6.941 > 31 36 Li 0.74583698109522 0.08737954837601 0.68474787090786 6.941 > 31 37 Li 0.25416301890478 0.58737954837601 0.06525212909214 6.941 > 37 38 Li 0.58749635223812 0.58737954837601 0.06525212909214 6.941 > 37 39 Li 0.92082968557145 0.58737954837601 0.06525212909214 6.941 > 37 40 Li 0.25416301890478 0.58737954837601 0.56525212909214 6.941 > 37 41 Li 0.58749635223812 0.58737954837601 0.56525212909214 6.941 > 37 42 Li 0.92082968557145 0.58737954837601 0.56525212909214 6.941 > 37 43 Li 0.25416301890478 0.91262045162399 0.31525212909214 6.941 > 43 44 Li 0.58749635223812 0.91262045162399 0.31525212909214 6.941 > 43 45 Li 0.92082968557145 0.91262045162399 0.31525212909214 6.941 > 43 46 Li 0.25416301890478 0.91262045162399 0.81525212909214 6.941 > 43 47 Li 0.58749635223812 0.91262045162399 0.81525212909214 6.941 > 43 48 Li 0.92082968557145 0.91262045162399 0.81525212909214 6.941 > 43 49 Te 0.09295862941775 0.08512452711772 0.41187968854727 127.600 > 49 50 Te 0.42629196275109 0.08512452711772 0.41187968854727 127.600 > 49 51 Te 0.75962529608442 0.08512452711772 0.41187968854727 127.600 > 49 52 Te 0.09295862941775 0.08512452711772 0.91187968854727 127.600 > 49 53 Te 0.42629196275109 0.08512452711772 0.91187968854727 127.600 > 49 54 Te 0.75962529608442 0.08512452711772 0.91187968854727 127.600 > 49 55 Te 0.24037470391558 0.91487547288228 0.08812031145273 127.600 > 55 56 Te 0.57370803724891 0.91487547288228 0.08812031145273 127.600 > 55 57 Te 0.90704137058225 0.91487547288228 0.08812031145273 127.600 > 55 58 Te 0.24037470391558 0.91487547288228 0.58812031145273 127.600 > 55 59 Te 0.57370803724891 0.91487547288228 0.58812031145273 127.600 > 55 60 Te 0.90704137058225 0.91487547288228 0.58812031145273 127.600 > 55 61 Te 0.24037470391558 0.58512452711772 0.33812031145273 127.600 > 61 62 Te 0.57370803724891 0.58512452711772 0.33812031145273 127.600 > 61 63 Te 0.90704137058225 0.58512452711772 0.33812031145273 127.600 > 61 64 Te 0.24037470391558 0.58512452711772 0.83812031145273 127.600 > 61 65 Te 0.57370803724891 0.58512452711772 0.83812031145273 127.600 > 61 66 Te 0.90704137058225 0.58512452711772 0.83812031145273 127.600 > 61 67 Te 0.09295862941775 0.41487547288228 0.16187968854727 127.600 > 67 68 Te 0.42629196275109 0.41487547288228 0.16187968854727 127.600 > 67 69 Te 0.75962529608442 0.41487547288228 0.16187968854727 127.600 > 67 70 Te 0.09295862941775 0.41487547288228 0.66187968854727 127.600 > 67 71 Te 0.42629196275109 0.41487547288228 0.66187968854727 127.600 > 67 72 Te 0.75962529608442 0.41487547288228 0.66187968854727 127.600 > 67 73 S 0.09158152648383 0.59529382770844 0.31607190258237 32.065 > 73 74 S 0.42491485981717 0.59529382770844 0.31607190258237 32.065 > 73 75 S 0.75824819315050 0.59529382770844 0.31607190258237 32.065 > 73 76 S 0.09158152648383 0.59529382770844 0.81607190258237 32.065 > 73 77 S 0.42491485981717 0.59529382770844 0.81607190258237 32.065 > 73 78 S 0.75824819315050 0.59529382770844 0.81607190258237 32.065 > 73 79 S 0.09158152648383 0.90470617229156 0.06607190258237 32.065 > 79 80 S 0.42491485981717 0.90470617229156 0.06607190258237 32.065 > 79 81 S 0.75824819315050 0.90470617229156 0.06607190258237 32.065 > 79 82 S 0.09158152648383 0.90470617229156 0.56607190258237 32.065 > 79 83 S 0.42491485981717 0.90470617229156 0.56607190258237 32.065 > 79 84 S 0.75824819315050 0.90470617229156 0.56607190258237 32.065 > 79 85 S 0.08487621606284 0.57518589437643 0.06259836402842 32.065 > 85 86 S 0.41820954939617 0.57518589437643 0.06259836402842 32.065 > 85 87 S 0.75154288272951 0.57518589437643 0.06259836402842 32.065 > 85 88 S 0.08487621606284 0.57518589437643 0.56259836402842 32.065 > 85 89 S 0.41820954939617 0.57518589437643 0.56259836402842 32.065 > 85 90 S 0.75154288272951 0.57518589437643 0.56259836402842 32.065 > 85 91 S 0.24845711727049 0.42481410562357 0.43740163597158 32.065 > 91 92 S 0.58179045060382 0.42481410562357 0.43740163597158 32.065 > 91 93 S 0.91512378393716 0.42481410562357 0.43740163597158 32.065 > 91 94 S 0.24845711727049 0.42481410562357 0.93740163597158 32.065 > 91 95 S 0.58179045060382 0.42481410562357 0.93740163597158 32.065 > 91 96 S 0.91512378393716 0.42481410562357 0.93740163597158 32.065 > 91 97 S 0.07750190610170 0.25270969081267 0.06073065240826 32.065 > 97 98 S 0.41083523943503 0.25270969081267 0.06073065240826 32.065 > 97 99 S 0.74416857276837 0.25270969081267 0.06073065240826 32.065 > 97 100 S 0.07750190610170 0.25270969081267 0.56073065240826 32.065 > 97 101 S 0.41083523943503 0.25270969081267 0.56073065240826 32.065 > 97 102 S 0.74416857276837 0.25270969081267 0.56073065240826 32.065 > 97 103 S 0.25583142723163 0.74729030918733 0.43926934759174 32.065 > 103 104 S 0.58916476056497 0.74729030918733 0.43926934759174 32.065 > 103 105 S 0.92249809389830 0.74729030918733 0.43926934759174 32.065 > 103 106 S 0.25583142723163 0.74729030918733 0.93926934759174 32.065 > 103 107 S 0.58916476056497 0.74729030918733 0.93926934759174 32.065 > 103 108 S 0.92249809389830 0.74729030918733 0.93926934759174 32.065 > 103 109 S 0.24175180684950 0.40470617229156 0.18392809741763 32.065 > 109 110 S 0.57508514018283 0.40470617229156 0.18392809741763 32.065 > 109 111 S 0.90841847351617 0.40470617229156 0.18392809741763 32.065 > 109 112 S 0.24175180684950 0.40470617229156 0.68392809741763 32.065 > 109 113 S 0.57508514018283 0.40470617229156 0.68392809741763 32.065 > 109 114 S 0.90841847351617 0.40470617229156 0.68392809741763 32.065 > 109 115 S 0.24175180684950 0.09529382770844 0.43392809741763 32.065 > 115 116 S 0.57508514018283 0.09529382770844 0.43392809741763 32.065 > 115 117 S 0.90841847351617 0.09529382770844 0.43392809741763 32.065 > 115 118 S 0.24175180684950 0.09529382770844 0.93392809741763 32.065 > 115 119 S 0.57508514018283 0.09529382770844 0.93392809741763 32.065 > 115 120 S 0.90841847351617 0.09529382770844 0.93392809741763 32.065 > 115 121 S 0.08487621606284 0.92481410562357 0.31259836402842 32.065 > 121 122 S 0.41820954939617 0.92481410562357 0.31259836402842 32.065 > 121 123 S 0.75154288272951 0.92481410562357 0.31259836402842 32.065 > 121 124 S 0.08487621606284 0.92481410562357 0.81259836402842 32.065 > 121 125 S 0.41820954939617 0.92481410562357 0.81259836402842 32.065 > 121 126 S 0.75154288272951 0.92481410562357 0.81259836402842 32.065 > 121 127 S 0.24845711727049 0.07518589437643 0.18740163597158 32.065 > 127 128 S 0.58179045060382 0.07518589437643 0.18740163597158 32.065 > 127 129 S 0.91512378393716 0.07518589437643 0.18740163597158 32.065 > 127 130 S 0.24845711727049 0.07518589437643 0.68740163597158 32.065 > 127 131 S 0.58179045060382 0.07518589437643 0.68740163597158 32.065 > 127 132 S 0.91512378393716 0.07518589437643 0.68740163597158 32.065 > 127 133 S 0.07750190610170 0.24729030918733 0.31073065240826 32.065 > 133 134 S 0.41083523943503 0.24729030918733 0.31073065240826 32.065 > 133 135 S 0.74416857276837 0.24729030918733 0.31073065240826 32.065 > 133 136 S 0.07750190610170 0.24729030918733 0.81073065240826 32.065 > 133 137 S 0.41083523943503 0.24729030918733 0.81073065240826 32.065 > 133 138 S 0.74416857276837 0.24729030918733 0.81073065240826 32.065 > 133 139 S 0.25583142723163 0.75270969081267 0.18926934759174 32.065 > 139 140 S 0.58916476056497 0.75270969081267 0.18926934759174 32.065 > 139 141 S 0.92249809389830 0.75270969081267 0.18926934759174 32.065 > 139 142 S 0.25583142723163 0.75270969081267 0.68926934759174 32.065 > 139 143 S 0.58916476056497 0.75270969081267 0.68926934759174 32.065 > 139 144 S 0.92249809389830 0.75270969081267 0.68926934759174 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 20.0194611 0.0000000 1.3949685 0.0000000 9.3977485 0.0000000 1.3949747 0.0000000 9.6019729 -------------------------- Born effective charges -------------------------- 1 Li 1.4249380 0.0067921 -0.0089036 -0.0044496 1.6121616 0.2204504 0.0051842 -0.1090111 1.1740970 2 Li 1.4249380 -0.0067921 -0.0089036 0.0044496 1.6121616 -0.2204504 0.0051842 0.1090111 1.1740970 3 Li 1.4249380 0.0067921 -0.0089036 -0.0044496 1.6121616 0.2204504 0.0051842 -0.1090111 1.1740970 4 Li 1.4249380 -0.0067921 -0.0089036 0.0044496 1.6121616 -0.2204504 0.0051842 0.1090111 1.1740970 5 Li 1.4066612 0.1288741 -0.1087218 0.0182406 1.0316321 0.0578260 -0.0374759 -0.0591988 1.3027692 6 Li 1.4066612 -0.1288741 -0.1087218 -0.0182406 1.0316321 -0.0578260 -0.0374759 0.0591988 1.3027692 7 Li 1.4066612 0.1288741 -0.1087218 0.0182406 1.0316321 0.0578260 -0.0374759 -0.0591988 1.3027692 8 Li 1.4066612 -0.1288741 -0.1087218 -0.0182406 1.0316321 -0.0578260 -0.0374759 0.0591988 1.3027692 9 Te 3.2673517 -0.1430687 1.5204291 -0.7115230 4.3204540 0.2372837 1.0118230 -0.4284692 4.2412254 10 Te 3.2673517 -0.1430687 1.5204291 -0.7115230 4.3204540 0.2372837 1.0118230 -0.4284692 4.2412254 11 Te 3.2673517 0.1430687 1.5204291 0.7115230 4.3204540 -0.2372837 1.0118230 0.4284692 4.2412254 12 Te 3.2673517 0.1430687 1.5204291 0.7115230 4.3204540 -0.2372837 1.0118230 0.4284692 4.2412254 13 S -4.7635232 0.0387028 -0.7238462 -0.2914261 -1.8891542 -0.4822458 -0.8100752 -0.6841631 -2.0404655 14 S -4.7635232 -0.0387028 -0.7238462 0.2914261 -1.8891542 0.4822458 -0.8100752 0.6841631 -2.0404655 15 S -0.5279990 0.2915818 -0.3336047 -0.1317912 -2.3097173 1.2148064 0.0846901 0.9377289 -2.1033839 16 S -0.5279990 0.2915818 -0.3336047 -0.1317912 -2.3097173 1.2148064 0.0846901 0.9377289 -2.1033839 17 S -0.8074288 -0.2949612 -0.3453528 -0.1904544 -2.7653762 -0.8862270 -0.2541462 -1.3376587 -2.5742421 18 S -0.8074288 -0.2949612 -0.3453528 -0.1904544 -2.7653762 -0.8862270 -0.2541462 -1.3376587 -2.5742421 19 S -4.7635232 0.0387028 -0.7238462 -0.2914261 -1.8891542 -0.4822458 -0.8100752 -0.6841631 -2.0404655 20 S -4.7635232 -0.0387028 -0.7238462 0.2914261 -1.8891542 0.4822458 -0.8100752 0.6841631 -2.0404655 21 S -0.5279990 -0.2915818 -0.3336047 0.1317912 -2.3097173 -1.2148064 0.0846901 -0.9377289 -2.1033839 22 S -0.5279990 -0.2915818 -0.3336047 0.1317912 -2.3097173 -1.2148064 0.0846901 -0.9377289 -2.1033839 23 S -0.8074288 0.2949612 -0.3453528 0.1904544 -2.7653762 0.8862270 -0.2541462 1.3376587 -2.5742421 24 S -0.8074288 0.2949612 -0.3453528 0.1904544 -2.7653762 0.8862270 -0.2541462 1.3376587 -2.5742421 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 ... [ 9 4 7 ] 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: 0.54, Number of G-points: 295, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 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 1.783 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 4.031 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.243 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.575 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 7.182 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 7.826 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 8.140 ( 0.000 0.000 0.000) 0.000 8.143 ( 0.000 0.000 0.000) 0.000 8.225 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.396 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 9.047 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 10.590 ( 0.000 0.000 0.000) 0.000 10.613 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 11.016 ( 0.000 0.000 0.000) 0.000 11.168 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 24.460 0.000 1.238) 24.491 0.533 ( 25.101 0.000 0.833) 25.115 0.935 ( 43.374 0.000 5.071) 43.669 1.898 ( 9.476 0.000 -2.093) 9.704 1.904 ( 8.243 0.000 1.875) 8.453 2.199 ( 4.143 0.000 -6.302) 7.542 2.206 ( 4.410 0.000 -1.395) 4.625 2.259 ( 3.127 0.000 1.232) 3.361 2.279 ( 8.724 0.000 1.986) 8.947 2.522 ( -6.016 0.000 -0.328) 6.025 2.693 ( 2.881 0.000 -0.184) 2.887 2.853 ( -5.238 0.000 -2.256) 5.703 2.900 ( 3.136 0.000 1.639) 3.539 3.130 ( -7.998 0.000 2.108) 8.271 3.257 ( 2.697 0.000 -2.213) 3.489 3.411 ( 0.765 0.000 -1.339) 1.542 3.583 ( 5.841 0.000 4.998) 7.688 3.773 ( 1.074 0.000 -5.963) 6.059 3.851 ( 2.988 0.000 1.521) 3.353 4.049 ( 1.361 0.000 -2.040) 2.452 4.078 ( 0.083 0.000 3.640) 3.641 4.193 ( -2.391 0.000 -0.262) 2.405 4.305 ( -1.452 0.000 0.698) 1.611 4.468 ( 0.605 0.000 1.104) 1.259 4.485 ( -2.571 0.000 -2.838) 3.829 4.603 ( -2.700 0.000 0.234) 2.710 4.701 ( 2.816 0.000 1.082) 3.017 4.776 ( -0.139 0.000 1.325) 1.332 4.856 ( -1.460 0.000 -1.894) 2.391 5.046 ( -1.007 0.000 1.479) 1.790 5.152 ( -0.796 0.000 0.931) 1.225 5.191 ( -8.667 0.000 -2.656) 9.065 5.239 ( -1.166 0.000 0.452) 1.250 5.436 ( -3.184 0.000 1.568) 3.549 5.496 ( 2.551 0.000 -0.663) 2.636 5.619 ( -5.308 0.000 -1.789) 5.602 5.780 ( 12.097 0.000 3.399) 12.565 5.791 ( 3.953 0.000 -1.107) 4.105 5.880 ( 8.178 0.000 -2.273) 8.488 5.993 ( 1.850 0.000 3.301) 3.784 6.149 ( -1.883 0.000 1.157) 2.210 6.253 ( -1.620 0.000 1.418) 2.153 6.402 ( 3.712 0.000 -2.539) 4.498 6.460 ( 3.981 0.000 0.299) 3.992 6.491 ( 7.629 0.000 1.453) 7.766 6.523 ( 7.061 0.000 -1.023) 7.135 6.633 ( 11.834 0.000 -4.134) 12.535 6.710 ( 7.638 0.000 7.085) 10.418 6.892 ( 4.372 0.000 -2.689) 5.132 7.031 ( 6.144 0.000 1.164) 6.254 7.085 ( 4.790 0.000 -9.784) 10.894 7.243 ( 5.233 0.000 0.461) 5.253 7.830 ( 0.444 0.000 -3.292) 3.322 7.889 ( 7.487 0.000 -1.245) 7.590 7.919 ( 0.973 0.000 -0.026) 0.973 7.955 ( 9.943 0.000 -0.447) 9.953 8.172 ( 1.409 0.000 3.970) 4.213 8.227 ( 1.045 0.000 0.015) 1.045 8.393 ( 2.253 0.000 0.042) 2.254 8.429 ( 22.649 0.000 -3.547) 22.925 8.546 ( 10.122 0.000 -1.040) 10.175 8.866 ( 7.429 0.000 0.946) 7.488 9.142 ( 9.582 0.000 -1.311) 9.671 9.247 ( 5.188 0.000 42.054) 42.372 9.521 ( 1.565 0.000 -0.144) 1.571 9.688 ( 5.158 0.000 -1.104) 5.275 9.726 ( 6.872 0.000 -19.027) 20.230 10.613 ( 2.548 0.000 -4.562) 5.225 10.630 ( 1.772 0.000 -0.123) 1.777 10.664 ( -0.079 0.000 6.237) 6.237 11.023 ( 1.343 0.000 -0.746) 1.536 11.154 ( -1.189 0.000 0.530) 1.302 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 22.038 0.000 1.228) 22.072 1.023 ( 21.557 0.000 1.312) 21.597 1.755 ( 32.602 0.000 -0.201) 32.602 2.047 ( 7.230 0.000 1.581) 7.401 2.072 ( 6.136 0.000 -5.285) 8.099 2.269 ( -0.055 0.000 -2.311) 2.311 2.272 ( 2.804 0.000 2.763) 3.937 2.412 ( 11.286 0.000 0.865) 11.320 2.474 ( 2.653 0.000 -1.069) 2.860 2.540 ( 12.716 0.000 3.964) 13.319 2.741 ( -4.107 0.000 -5.514) 6.875 2.828 ( 10.247 0.000 -2.238) 10.488 2.976 ( -5.927 0.000 1.542) 6.124 3.009 ( 7.485 0.000 5.332) 9.190 3.326 ( 3.673 0.000 -2.692) 4.554 3.395 ( -2.568 0.000 2.168) 3.361 3.629 ( -0.774 0.000 1.652) 1.824 3.763 ( -2.337 0.000 -5.234) 5.732 3.882 ( 0.033 0.000 -0.160) 0.163 4.046 ( -5.803 0.000 0.549) 5.829 4.053 ( -2.135 0.000 -2.119) 3.008 4.140 ( -0.792 0.000 4.104) 4.180 4.252 ( -4.178 0.000 1.758) 4.533 4.377 ( -7.776 0.000 -6.499) 10.135 4.501 ( 3.257 0.000 0.370) 3.278 4.549 ( -2.214 0.000 1.446) 2.645 4.752 ( 1.406 0.000 1.405) 1.988 4.793 ( 0.667 0.000 -5.155) 5.198 4.896 ( 8.341 0.000 1.229) 8.431 5.072 ( -0.113 0.000 -3.159) 3.161 5.107 ( 5.457 0.000 2.662) 6.072 5.228 ( 3.314 0.000 -1.555) 3.660 5.239 ( 5.063 0.000 3.381) 6.088 5.374 ( -2.115 0.000 0.932) 2.311 5.548 ( -0.867 0.000 -2.722) 2.857 5.565 ( 3.539 0.000 -0.340) 3.555 5.885 ( 4.377 0.000 -1.073) 4.507 5.984 ( 7.527 0.000 1.231) 7.627 6.034 ( 2.540 0.000 2.718) 3.720 6.070 ( 6.582 0.000 1.786) 6.820 6.126 ( 3.331 0.000 -1.281) 3.569 6.285 ( 3.503 0.000 1.192) 3.700 6.442 ( 1.180 0.000 -0.661) 1.353 6.554 ( 4.588 0.000 0.189) 4.592 6.650 ( 5.125 0.000 -0.940) 5.210 6.690 ( 7.932 0.000 2.164) 8.222 6.862 ( 9.198 0.000 -5.635) 10.787 6.934 ( 13.086 0.000 6.369) 14.553 7.038 ( 9.583 0.000 -1.052) 9.641 7.183 ( 7.827 0.000 0.686) 7.857 7.201 ( 6.026 0.000 -6.791) 9.080 7.364 ( 5.633 0.000 1.067) 5.733 7.844 ( 1.194 0.000 -3.107) 3.329 7.942 ( 1.150 0.000 0.287) 1.185 8.038 ( 5.592 0.000 -0.546) 5.619 8.174 ( 10.154 0.000 -0.552) 10.169 8.214 ( 2.536 0.000 2.145) 3.322 8.245 ( 0.679 0.000 -0.605) 0.909 8.488 ( 6.391 0.000 0.130) 6.392 8.825 ( 15.567 0.000 -0.229) 15.569 9.026 ( 31.711 0.000 -2.167) 31.785 9.045 ( 8.291 0.000 0.069) 8.291 9.387 ( 6.667 0.000 13.303) 14.880 9.478 ( 22.768 0.000 -1.823) 22.841 9.570 ( 3.000 0.000 1.148) 3.212 9.846 ( 9.629 0.000 -1.964) 9.827 9.932 ( 12.914 0.000 -6.119) 14.291 10.658 ( 0.358 0.000 1.675) 1.713 10.692 ( 4.253 0.000 -0.297) 4.264 10.706 ( 5.990 0.000 0.821) 6.046 11.083 ( 3.992 0.000 -0.878) 4.087 11.131 ( -0.948 0.000 0.485) 1.065 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 14.807 0.000 1.683) 14.902 1.419 ( 17.262 0.000 1.063) 17.294 2.008 ( 0.941 0.000 -6.826) 6.890 2.145 ( 0.908 0.000 -3.040) 3.173 2.235 ( -1.393 0.000 3.602) 3.862 2.348 ( 4.510 0.000 3.433) 5.668 2.467 ( 22.105 0.000 2.599) 22.258 2.560 ( 5.277 0.000 -2.990) 6.065 2.595 ( -2.757 0.000 -2.667) 3.836 2.648 ( 8.678 0.000 2.408) 9.006 2.818 ( 7.245 0.000 -0.019) 7.245 2.841 ( -3.862 0.000 -1.333) 4.086 3.093 ( 9.846 0.000 -1.186) 9.917 3.207 ( 10.394 0.000 6.033) 12.018 3.328 ( -3.015 0.000 1.833) 3.528 3.393 ( 2.566 0.000 0.211) 2.574 3.599 ( -1.669 0.000 1.491) 2.238 3.700 ( -2.635 0.000 -3.008) 3.999 3.860 ( -4.964 0.000 1.348) 5.144 3.915 ( -1.016 0.000 -8.057) 8.120 3.960 ( -5.771 0.000 -0.695) 5.812 4.076 ( -7.967 0.000 -3.615) 8.749 4.122 ( -7.071 0.000 0.208) 7.074 4.228 ( -4.086 0.000 2.632) 4.860 4.523 ( -0.246 0.000 0.665) 0.709 4.610 ( 6.859 0.000 0.092) 6.860 4.748 ( -1.242 0.000 0.553) 1.359 4.876 ( 5.000 0.000 -1.074) 5.114 5.075 ( 7.081 0.000 -0.921) 7.140 5.133 ( 5.121 0.000 -1.480) 5.330 5.258 ( 1.981 0.000 -0.770) 2.125 5.277 ( 8.949 0.000 1.875) 9.143 5.362 ( 2.509 0.000 1.191) 2.777 5.423 ( 7.478 0.000 1.905) 7.717 5.550 ( 0.328 0.000 -2.590) 2.611 5.643 ( 3.663 0.000 -0.206) 3.668 5.946 ( 1.634 0.000 -0.103) 1.637 6.094 ( 1.343 0.000 1.745) 2.202 6.107 ( 3.908 0.000 1.267) 4.109 6.117 ( 3.847 0.000 0.648) 3.901 6.302 ( 8.340 0.000 -1.038) 8.405 6.373 ( 4.587 0.000 0.774) 4.652 6.469 ( 1.549 0.000 -0.492) 1.626 6.635 ( 2.922 0.000 0.175) 2.927 6.734 ( 2.968 0.000 -0.913) 3.105 6.824 ( 5.499 0.000 2.417) 6.007 7.007 ( 5.201 0.000 -6.261) 8.140 7.107 ( 3.581 0.000 1.911) 4.059 7.277 ( 6.999 0.000 6.908) 9.834 7.331 ( 9.968 0.000 -9.328) 13.651 7.337 ( 6.705 0.000 0.381) 6.716 7.459 ( 3.209 0.000 0.658) 3.276 7.878 ( 2.090 0.000 -3.116) 3.752 7.959 ( 0.277 0.000 1.475) 1.501 8.115 ( 2.300 0.000 -0.156) 2.305 8.258 ( 0.826 0.000 -0.218) 0.855 8.273 ( 2.737 0.000 0.554) 2.793 8.351 ( 6.596 0.000 -0.376) 6.607 8.636 ( 7.214 0.000 0.294) 7.220 9.101 ( 8.647 0.000 1.646) 8.802 9.215 ( 9.108 0.000 -1.842) 9.293 9.472 ( 6.704 0.000 2.067) 7.015 9.629 ( 4.109 0.000 1.576) 4.401 9.696 ( 23.221 0.000 -0.074) 23.221 9.976 ( 19.819 0.000 -0.976) 19.843 10.057 ( 11.859 0.000 -1.732) 11.984 10.203 ( 11.879 0.000 -1.507) 11.974 10.688 ( 2.498 0.000 2.028) 3.218 10.802 ( 6.117 0.000 -0.273) 6.123 10.864 ( 8.629 0.000 0.511) 8.644 11.107 ( -1.718 0.000 0.402) 1.765 11.157 ( 2.427 0.000 -1.192) 2.704 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 5.533 0.000 1.084) 5.638 1.696 ( 8.238 0.000 0.441) 8.250 1.999 ( -0.710 0.000 -3.064) 3.145 2.118 ( -2.302 0.000 -0.523) 2.361 2.220 ( -0.225 0.000 1.895) 1.908 2.445 ( 4.173 0.000 4.123) 5.866 2.524 ( -3.239 0.000 -4.252) 5.345 2.596 ( 0.281 0.000 -1.091) 1.126 2.685 ( -0.190 0.000 -0.571) 0.602 2.807 ( 5.873 0.000 2.492) 6.380 2.883 ( -0.851 0.000 -0.857) 1.208 2.972 ( 13.668 0.000 -0.827) 13.693 3.175 ( -2.250 0.000 -0.773) 2.379 3.288 ( -1.466 0.000 1.175) 1.879 3.387 ( 5.245 0.000 1.113) 5.362 3.429 ( 0.707 0.000 3.464) 3.536 3.568 ( -1.045 0.000 1.096) 1.514 3.669 ( -0.399 0.000 -0.933) 1.015 3.772 ( -0.692 0.000 2.707) 2.794 3.858 ( -2.988 0.000 -0.069) 2.989 3.886 ( -7.586 0.000 -8.590) 11.460 3.962 ( 2.888 0.000 -5.705) 6.394 4.020 ( -2.259 0.000 -0.122) 2.262 4.168 ( -2.433 0.000 5.953) 6.431 4.530 ( 0.507 0.000 -0.040) 0.509 4.727 ( -0.569 0.000 0.111) 0.580 4.763 ( 7.237 0.000 0.296) 7.243 4.891 ( -3.603 0.000 -0.127) 3.605 5.187 ( 3.741 0.000 -0.436) 3.767 5.223 ( 2.659 0.000 -0.441) 2.695 5.303 ( 1.399 0.000 -1.071) 1.762 5.418 ( 1.946 0.000 1.299) 2.339 5.438 ( 5.845 0.000 1.645) 6.072 5.533 ( -2.088 0.000 -2.105) 2.965 5.535 ( 2.709 0.000 0.543) 2.763 5.702 ( 1.666 0.000 -0.102) 1.669 5.967 ( 0.490 0.000 0.096) 0.499 6.107 ( 0.325 0.000 0.733) 0.802 6.171 ( 1.726 0.000 0.333) 1.758 6.179 ( 1.583 0.000 0.157) 1.591 6.412 ( 2.225 0.000 -0.420) 2.264 6.467 ( 3.494 0.000 0.436) 3.521 6.500 ( 1.071 0.000 -0.129) 1.079 6.669 ( 0.429 0.000 0.174) 0.463 6.774 ( 1.006 0.000 -0.533) 1.139 6.920 ( 3.041 0.000 2.026) 3.654 7.068 ( 0.994 0.000 -4.248) 4.363 7.138 ( 0.296 0.000 0.927) 0.973 7.340 ( 1.198 0.000 0.382) 1.258 7.449 ( 3.707 0.000 0.606) 3.756 7.492 ( -0.029 0.000 -0.270) 0.271 7.511 ( 4.804 0.000 -1.057) 4.919 7.919 ( 1.619 0.000 -3.372) 3.740 7.954 ( -0.703 0.000 2.960) 3.042 8.146 ( 0.746 0.000 -0.004) 0.746 8.281 ( 1.027 0.000 -0.002) 1.027 8.314 ( 0.986 0.000 -0.039) 0.987 8.440 ( 2.075 0.000 -0.257) 2.091 8.754 ( 3.377 0.000 0.226) 3.385 9.199 ( 2.019 0.000 0.576) 2.100 9.372 ( 4.427 0.000 -0.604) 4.468 9.563 ( 2.500 0.000 0.039) 2.500 9.670 ( 0.784 0.000 0.966) 1.244 10.073 ( 10.006 0.000 -0.249) 10.009 10.139 ( 2.548 0.000 -0.616) 2.621 10.363 ( 9.509 0.000 -0.209) 9.511 10.377 ( 4.384 0.000 -0.337) 4.397 10.739 ( 1.543 0.000 0.449) 1.607 10.934 ( 6.239 0.000 -0.066) 6.239 11.038 ( 7.066 0.000 1.538) 7.232 11.047 ( -4.231 0.000 0.150) 4.234 11.162 ( -1.982 0.000 -1.602) 2.548 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.000 23.416 0.000) 23.416 0.584 ( 0.000 26.203 0.000) 26.203 0.903 ( 0.000 38.462 0.000) 38.462 1.495 ( 0.000 -17.734 0.000) 17.734 1.670 ( 0.000 -18.720 0.000) 18.720 2.048 ( 0.000 1.009 0.000) 1.009 2.110 ( 0.000 -1.139 0.000) 1.139 2.152 ( 0.000 -9.502 0.000) 9.502 2.410 ( 0.000 5.658 0.000) 5.658 2.531 ( 0.000 -5.186 0.000) 5.186 2.709 ( 0.000 4.164 0.000) 4.164 2.893 ( 0.000 -2.488 0.000) 2.488 2.946 ( 0.000 5.739 0.000) 5.739 3.271 ( 0.000 5.141 0.000) 5.141 3.312 ( 0.000 -8.447 0.000) 8.447 3.387 ( 0.000 10.446 0.000) 10.446 3.532 ( 0.000 7.452 0.000) 7.452 3.629 ( 0.000 -8.226 0.000) 8.226 3.848 ( 0.000 -2.078 0.000) 2.078 3.903 ( 0.000 -5.573 0.000) 5.573 4.165 ( 0.000 -1.693 0.000) 1.693 4.190 ( 0.000 -2.038 0.000) 2.038 4.300 ( 0.000 -1.268 0.000) 1.268 4.334 ( 0.000 1.187 0.000) 1.187 4.551 ( 0.000 0.090 0.000) 0.090 4.722 ( 0.000 5.107 0.000) 5.107 4.759 ( 0.000 -5.978 0.000) 5.978 4.879 ( 0.000 6.791 0.000) 6.791 4.886 ( 0.000 -1.372 0.000) 1.372 5.002 ( 0.000 -2.256 0.000) 2.256 5.142 ( 0.000 -5.395 0.000) 5.395 5.214 ( 0.000 -7.604 0.000) 7.604 5.363 ( 0.000 7.594 0.000) 7.594 5.504 ( 0.000 0.875 0.000) 0.875 5.546 ( 0.000 0.354 0.000) 0.354 5.568 ( 0.000 2.438 0.000) 2.438 5.635 ( 0.000 0.575 0.000) 0.575 5.686 ( 0.000 -4.147 0.000) 4.147 5.724 ( 0.000 -0.344 0.000) 0.344 5.757 ( 0.000 -1.137 0.000) 1.137 6.249 ( 0.000 0.518 0.000) 0.518 6.290 ( 0.000 -1.166 0.000) 1.166 6.383 ( 0.000 0.467 0.000) 0.467 6.387 ( 0.000 0.857 0.000) 0.857 6.418 ( 0.000 0.813 0.000) 0.813 6.505 ( 0.000 1.986 0.000) 1.986 6.564 ( 0.000 -2.252 0.000) 2.252 6.581 ( 0.000 0.259 0.000) 0.259 6.862 ( 0.000 0.872 0.000) 0.872 6.901 ( 0.000 -1.539 0.000) 1.539 7.105 ( 0.000 5.647 0.000) 5.647 7.224 ( 0.000 0.082 0.000) 0.082 7.801 ( 0.000 0.485 0.000) 0.485 7.869 ( 0.000 3.288 0.000) 3.288 7.880 ( 0.000 -2.048 0.000) 2.048 8.028 ( 0.000 -0.939 0.000) 0.939 8.120 ( 0.000 -1.658 0.000) 1.658 8.132 ( 0.000 -1.092 0.000) 1.092 8.241 ( 0.000 1.888 0.000) 1.888 8.249 ( 0.000 1.844 0.000) 1.844 8.534 ( 0.000 10.203 0.000) 10.203 8.799 ( 0.000 1.629 0.000) 1.629 8.985 ( 0.000 -3.938 0.000) 3.938 9.090 ( 0.000 -12.037 0.000) 12.037 9.536 ( 0.000 0.841 0.000) 0.841 9.548 ( 0.000 1.817 0.000) 1.817 10.383 ( 0.000 3.354 0.000) 3.354 10.614 ( 0.000 -4.141 0.000) 4.141 10.680 ( 0.000 5.369 0.000) 5.369 10.949 ( 0.000 -5.196 0.000) 5.196 11.142 ( 0.000 0.889 0.000) 0.889 11.176 ( 0.000 0.106 0.000) 0.106 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 14.234 18.072 -12.356) 26.113 0.804 ( 19.070 16.644 8.724) 26.773 1.250 ( 27.712 23.031 5.052) 36.386 1.629 ( 11.400 -17.011 2.739) 20.660 1.685 ( 3.071 -17.727 -5.047) 18.685 2.172 ( 4.803 -4.929 3.702) 7.815 2.192 ( 11.449 1.392 -2.334) 11.767 2.256 ( 11.379 -2.012 1.531) 11.657 2.413 ( 0.521 5.759 -2.539) 6.315 2.496 ( -2.150 -1.726 -1.567) 3.171 2.695 ( 0.676 1.443 -1.238) 2.017 2.832 ( -4.705 -2.207 -2.878) 5.940 2.971 ( 2.648 5.750 2.073) 6.661 3.173 ( -7.460 3.354 1.440) 8.305 3.278 ( -0.122 0.047 0.485) 0.502 3.419 ( 0.777 1.138 3.163) 3.450 3.576 ( 2.114 0.610 0.735) 2.320 3.708 ( 5.645 -2.556 -3.019) 6.893 3.873 ( 0.827 -1.366 -3.195) 3.572 3.928 ( 2.016 -5.674 -0.863) 6.083 4.160 ( -0.704 -1.543 2.431) 2.964 4.187 ( -0.632 -0.761 1.585) 1.868 4.277 ( -1.766 -0.369 0.098) 1.807 4.352 ( 0.702 -0.377 1.902) 2.062 4.548 ( -0.445 0.908 -2.036) 2.273 4.640 ( -5.133 -0.973 -0.683) 5.269 4.694 ( -1.189 2.277 -1.426) 2.938 4.819 ( 0.350 1.995 -1.986) 2.837 4.857 ( -5.731 -1.438 1.805) 6.178 4.985 ( 2.073 1.108 1.298) 2.685 5.128 ( -1.240 -4.863 -0.606) 5.055 5.145 ( -3.801 -6.062 -1.072) 7.235 5.305 ( -4.261 6.538 1.627) 7.972 5.426 ( -3.731 0.137 -0.229) 3.740 5.529 ( 1.742 1.420 0.753) 2.370 5.582 ( -4.229 -2.491 -1.394) 5.102 5.767 ( 7.632 -0.281 -0.309) 7.644 5.802 ( 5.868 -1.518 -1.502) 6.244 5.848 ( 10.591 0.198 -0.509) 10.605 5.943 ( 10.372 -2.830 3.345) 11.260 6.186 ( -4.038 1.945 1.694) 4.792 6.234 ( -0.788 -0.705 1.457) 1.800 6.412 ( 2.017 0.242 -0.691) 2.146 6.437 ( 3.546 -1.210 0.231) 3.753 6.525 ( 7.043 0.607 -1.074) 7.151 6.548 ( 8.380 2.430 1.522) 8.857 6.675 ( 10.410 1.579 -4.016) 11.269 6.701 ( 7.293 -0.806 4.149) 8.429 6.855 ( 2.148 -0.031 -0.759) 2.278 6.976 ( 5.973 -2.673 -2.208) 6.906 7.177 ( 5.889 5.428 -0.072) 8.009 7.282 ( 5.255 1.442 -0.838) 5.513 7.822 ( 0.865 0.210 -1.127) 1.436 7.888 ( 0.313 -1.708 -0.112) 1.740 7.962 ( 8.948 3.523 -1.244) 9.696 8.061 ( 5.976 5.995 -2.979) 8.973 8.178 ( 4.457 -2.752 0.137) 5.240 8.243 ( 2.236 4.828 2.721) 5.976 8.325 ( 7.475 -5.169 -0.510) 9.103 8.412 ( 16.409 -0.894 -2.112) 16.568 8.643 ( 11.282 9.288 -1.536) 14.694 8.881 ( 8.015 1.716 0.849) 8.240 9.077 ( 9.078 -4.517 1.261) 10.218 9.192 ( 9.040 -10.660 10.588) 17.535 9.523 ( 0.547 3.283 -0.918) 3.452 9.602 ( 4.158 -0.522 -1.504) 4.453 10.113 ( -12.947 17.731 -0.540) 21.962 10.596 ( -1.945 -5.613 -0.258) 5.945 10.696 ( 1.090 5.304 0.931) 5.495 10.745 ( -3.722 10.400 0.534) 11.059 10.964 ( 1.612 -4.846 -0.545) 5.136 11.116 ( -3.458 -3.689 0.386) 5.071 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 19.518 8.409 -7.189) 22.436 1.188 ( 17.055 11.656 8.029) 22.163 1.714 ( 9.210 -12.902 -6.854) 17.270 1.864 ( 9.254 -15.135 4.953) 18.418 1.943 ( 25.680 6.564 1.721) 26.561 2.284 ( 5.148 0.514 1.428) 5.367 2.397 ( 2.018 5.337 -4.469) 7.247 2.461 ( 7.480 0.641 -0.475) 7.523 2.514 ( 7.905 2.149 1.508) 8.330 2.542 ( 10.640 0.658 2.209) 10.886 2.732 ( -0.942 -0.456 -6.055) 6.145 2.804 ( 8.472 -1.843 -1.618) 8.820 3.024 ( -6.533 4.498 1.325) 8.042 3.064 ( 6.194 4.083 4.650) 8.756 3.283 ( -0.110 -1.748 1.660) 2.413 3.416 ( -0.960 -2.329 2.450) 3.514 3.612 ( 1.506 1.512 -0.408) 2.172 3.757 ( -1.105 -0.417 -4.854) 4.996 3.865 ( -1.172 -1.442 -0.541) 1.935 3.942 ( -2.015 -4.645 -2.698) 5.737 4.089 ( -5.227 -0.696 0.045) 5.273 4.178 ( -4.160 -6.567 1.242) 7.872 4.214 ( -2.065 5.196 1.948) 5.921 4.351 ( -1.421 -0.050 0.850) 1.656 4.523 ( -1.661 3.296 -2.376) 4.390 4.604 ( 1.501 -0.706 -0.197) 1.671 4.731 ( 4.723 -2.151 -0.723) 5.240 4.759 ( -1.296 1.789 -1.135) 2.483 4.852 ( 1.238 -2.816 0.617) 3.138 5.028 ( -0.965 -3.330 -2.448) 4.244 5.097 ( 5.299 -0.819 1.288) 5.515 5.149 ( 1.646 -6.144 -0.101) 6.361 5.307 ( 4.177 3.921 0.677) 5.768 5.392 ( 1.086 1.036 0.403) 1.554 5.530 ( -0.550 -0.551 -1.983) 2.131 5.578 ( 3.000 0.290 0.584) 3.070 5.876 ( 4.043 -0.399 -1.550) 4.349 5.931 ( 5.897 -2.760 -0.258) 6.516 6.066 ( 7.442 1.168 2.065) 7.811 6.083 ( 4.943 0.807 2.438) 5.570 6.154 ( 2.601 2.384 -0.527) 3.567 6.269 ( 3.783 -1.591 0.903) 4.202 6.454 ( 1.810 0.929 -0.085) 2.036 6.519 ( 3.980 -2.034 0.188) 4.474 6.677 ( 6.706 2.692 -0.865) 7.278 6.747 ( 7.165 3.072 1.335) 7.910 6.865 ( 7.599 -1.379 -1.587) 7.884 6.938 ( 12.745 -5.764 -0.284) 13.991 6.945 ( 8.527 2.562 1.579) 9.043 7.137 ( 8.956 -2.545 -2.657) 9.682 7.316 ( 6.867 6.202 0.446) 9.264 7.407 ( 6.070 2.370 0.003) 6.517 7.833 ( 0.482 -0.354 -2.441) 2.513 7.894 ( 0.232 -2.319 -0.625) 2.413 8.151 ( 5.655 4.296 -0.137) 7.103 8.170 ( 4.645 1.188 0.275) 4.803 8.257 ( 4.437 2.620 -1.541) 5.378 8.330 ( 5.817 7.436 0.818) 9.476 8.490 ( 8.360 0.206 -0.313) 8.368 8.770 ( 15.701 -5.763 1.094) 16.761 8.984 ( 14.915 2.694 -2.805) 15.414 9.162 ( 21.998 6.104 0.134) 22.829 9.353 ( 14.334 -8.018 -0.971) 16.453 9.427 ( 12.287 -0.244 10.448) 16.130 9.609 ( 10.512 0.797 -4.355) 11.406 9.726 ( 7.962 -3.394 -1.086) 8.723 10.078 ( 6.408 8.824 -1.362) 10.990 10.559 ( -0.622 -8.503 1.502) 8.657 10.720 ( 2.167 3.791 0.678) 4.419 10.814 ( 6.559 7.414 -0.037) 9.899 11.004 ( 1.301 -6.057 -0.919) 6.263 11.104 ( 2.605 -3.226 0.442) 4.170 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 14.176 3.933 -2.477) 14.919 1.515 ( 14.242 7.570 5.062) 16.904 1.844 ( 4.555 -11.130 -5.474) 13.214 2.002 ( 4.190 -10.709 3.923) 12.150 2.302 ( 1.026 4.088 0.550) 4.250 2.363 ( 7.113 3.495 -2.510) 8.314 2.525 ( 6.335 0.686 1.895) 6.648 2.552 ( 2.115 -1.735 -3.530) 4.466 2.644 ( 7.024 4.297 -0.233) 8.237 2.697 ( 8.225 2.613 1.002) 8.688 2.845 ( 8.039 2.474 0.151) 8.413 2.907 ( -4.247 5.908 -0.588) 7.300 3.030 ( 9.219 -4.218 -0.959) 10.183 3.183 ( 1.922 -3.217 4.066) 5.530 3.304 ( 4.913 1.299 2.153) 5.519 3.398 ( -0.498 -3.971 2.057) 4.500 3.634 ( 0.070 5.441 1.828) 5.741 3.711 ( -2.263 0.980 -4.261) 4.924 3.830 ( -2.579 -0.963 0.202) 2.760 3.854 ( -3.217 -4.827 -6.557) 8.755 3.983 ( -4.647 -0.237 2.341) 5.209 4.029 ( -6.809 -1.804 -5.161) 8.732 4.183 ( -2.810 2.193 1.849) 4.015 4.266 ( -5.305 2.758 0.330) 5.988 4.542 ( 3.449 1.686 -0.468) 3.868 4.647 ( 1.356 3.588 1.282) 4.044 4.746 ( -1.194 -0.454 0.401) 1.339 4.837 ( 5.337 -1.985 -0.507) 5.717 4.948 ( 5.898 -8.079 -0.984) 10.051 5.026 ( 2.395 -7.497 -0.912) 7.923 5.186 ( 2.854 -3.436 -0.067) 4.467 5.269 ( 8.191 -3.991 0.548) 9.128 5.410 ( 4.975 2.774 -0.330) 5.705 5.475 ( 5.195 3.658 1.651) 6.565 5.534 ( 0.357 -0.527 -2.283) 2.370 5.640 ( 2.525 -1.003 0.750) 2.818 5.948 ( 3.014 0.721 -0.610) 3.158 6.040 ( 4.597 -2.833 -0.018) 5.400 6.134 ( 1.432 2.266 1.948) 3.313 6.163 ( 3.594 1.619 1.740) 4.309 6.307 ( 8.005 0.545 -1.860) 8.236 6.366 ( 4.874 -0.784 0.179) 4.940 6.492 ( 2.039 1.767 0.506) 2.745 6.591 ( 2.718 -2.679 0.422) 3.839 6.784 ( 3.548 4.138 -0.879) 5.521 6.859 ( 4.294 1.975 0.276) 4.734 6.983 ( 3.666 -2.698 -3.289) 5.615 7.045 ( 4.004 -3.437 0.163) 5.279 7.254 ( 11.927 -0.895 5.523) 13.174 7.309 ( 7.426 -0.496 -5.468) 9.235 7.449 ( 5.873 6.443 0.930) 8.767 7.514 ( 4.012 3.230 -0.045) 5.151 7.846 ( 1.020 -1.867 -2.843) 3.551 7.894 ( -0.205 -3.401 0.294) 3.420 8.205 ( 1.669 3.321 0.149) 3.720 8.257 ( 3.233 0.038 0.631) 3.294 8.344 ( 3.233 8.014 -1.104) 8.711 8.455 ( 5.144 5.344 0.060) 7.418 8.666 ( 8.148 3.587 0.156) 8.904 9.014 ( 7.362 -7.551 1.413) 10.640 9.229 ( 10.676 3.171 -2.267) 11.365 9.518 ( 7.222 3.853 2.475) 8.552 9.555 ( 6.296 -6.237 0.245) 8.865 9.786 ( 22.894 6.357 0.717) 23.771 9.884 ( 8.267 -10.207 -2.695) 13.409 10.016 ( 20.979 0.600 -0.418) 20.992 10.266 ( 9.679 4.437 -0.448) 10.657 10.591 ( 3.364 -7.646 2.014) 8.593 10.787 ( 4.073 0.677 0.005) 4.129 10.971 ( 7.982 7.033 0.221) 10.641 11.010 ( -0.466 -6.424 -1.146) 6.542 11.179 ( 3.177 -0.471 0.185) 3.217 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 4.825 1.892 0.416) 5.199 1.756 ( 7.282 4.990 1.293) 8.922 1.896 ( 0.939 -7.601 -2.091) 7.939 2.049 ( 0.502 -5.600 1.250) 5.760 2.289 ( -0.849 5.650 -0.187) 5.717 2.445 ( 2.092 1.181 1.202) 2.686 2.521 ( -1.887 -0.059 -2.377) 3.036 2.578 ( 0.743 -2.699 -0.168) 2.805 2.810 ( 0.503 8.967 -0.420) 8.991 2.839 ( 5.055 1.679 1.013) 5.422 2.883 ( 2.138 0.128 -0.965) 2.349 2.975 ( 6.598 0.249 0.249) 6.607 3.093 ( -2.799 -5.097 -0.263) 5.821 3.197 ( 0.499 -4.328 1.175) 4.513 3.405 ( 1.104 -4.221 2.967) 5.276 3.419 ( 2.853 -0.400 -0.052) 2.881 3.613 ( -1.178 5.306 1.287) 5.586 3.652 ( -2.280 -0.142 -2.487) 3.377 3.811 ( 0.936 2.609 -0.097) 2.774 3.829 ( -0.341 -3.871 -2.177) 4.455 3.905 ( -1.980 1.716 0.850) 2.754 3.958 ( -1.182 1.459 -3.259) 3.761 4.116 ( -1.697 5.306 -3.567) 6.615 4.186 ( -2.571 2.303 4.444) 5.627 4.596 ( 0.861 4.983 0.297) 5.065 4.693 ( 2.097 -3.028 0.635) 3.738 4.743 ( 2.592 -1.605 0.039) 3.049 4.839 ( -4.261 -4.260 -0.626) 6.057 5.061 ( 4.652 -7.355 -0.313) 8.709 5.112 ( 2.699 -6.599 -0.300) 7.136 5.240 ( 1.834 -3.409 0.328) 3.885 5.398 ( 3.382 -6.555 0.277) 7.381 5.500 ( 3.151 2.088 -0.105) 3.781 5.527 ( 0.190 2.741 -0.702) 2.835 5.545 ( 0.181 1.496 0.210) 1.522 5.678 ( 1.155 -1.991 0.238) 2.314 5.996 ( 1.376 2.454 -0.092) 2.815 6.114 ( 2.178 -2.423 -0.005) 3.258 6.155 ( 0.367 3.002 0.672) 3.098 6.218 ( 1.439 1.072 0.606) 1.893 6.426 ( 2.991 0.720 -1.386) 3.375 6.445 ( 2.245 -0.595 0.421) 2.361 6.538 ( 1.920 2.013 0.591) 2.844 6.623 ( 0.367 -2.622 0.263) 2.660 6.828 ( 0.972 3.941 -0.422) 4.081 6.927 ( 1.926 -0.403 0.182) 1.977 7.019 ( 0.386 -2.712 -1.567) 3.156 7.102 ( 1.449 -2.528 0.030) 2.914 7.379 ( 2.027 2.991 1.023) 3.755 7.449 ( 4.081 -1.571 -1.197) 4.534 7.548 ( 3.045 5.252 1.212) 6.191 7.568 ( 1.150 3.874 -0.804) 4.120 7.869 ( 1.110 -3.125 -3.465) 4.796 7.887 ( -0.521 -3.975 2.578) 4.766 8.232 ( 0.816 3.683 0.127) 3.774 8.306 ( 1.232 0.329 0.184) 1.289 8.390 ( 1.239 9.570 -0.490) 9.662 8.525 ( 1.641 4.169 -0.026) 4.480 8.796 ( 3.587 4.214 0.226) 5.538 9.105 ( 1.946 -7.267 0.293) 7.529 9.395 ( 4.470 3.052 -0.843) 5.478 9.611 ( 2.385 3.248 0.716) 4.093 9.637 ( 1.754 -2.867 0.371) 3.382 9.988 ( 2.519 -13.072 -0.749) 13.334 10.161 ( 10.091 6.686 -0.123) 12.106 10.340 ( 8.231 -0.227 -0.024) 8.234 10.417 ( 3.992 3.338 -0.083) 5.205 10.662 ( 2.328 -5.671 0.657) 6.166 10.880 ( 4.310 -3.089 0.728) 5.352 10.981 ( -2.235 -5.097 -1.179) 5.689 11.122 ( 5.938 5.068 0.261) 7.811 11.202 ( -1.246 2.073 -0.159) 2.424 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 -22.557 0.000) 22.557 1.024 ( 0.000 22.557 0.000) 22.557 1.148 ( 0.000 -24.280 0.000) 24.280 1.148 ( 0.000 24.280 0.000) 24.280 1.706 ( 0.000 -28.638 0.000) 28.638 1.706 ( 0.000 28.638 0.000) 28.638 2.084 ( 0.000 -1.556 0.000) 1.556 2.084 ( 0.000 1.556 0.000) 1.556 2.473 ( 0.000 -1.229 0.000) 1.229 2.473 ( 0.000 1.229 0.000) 1.229 2.814 ( 0.000 -4.578 0.000) 4.578 2.814 ( 0.000 4.578 0.000) 4.578 3.112 ( 0.000 -8.846 0.000) 8.846 3.112 ( 0.000 8.846 0.000) 8.846 3.432 ( 0.000 -8.760 0.000) 8.760 3.432 ( 0.000 8.760 0.000) 8.760 3.658 ( 0.000 -12.401 0.000) 12.401 3.658 ( 0.000 12.401 0.000) 12.401 3.734 ( 0.000 -10.025 0.000) 10.025 3.734 ( 0.000 10.025 0.000) 10.025 4.138 ( 0.000 -1.883 0.000) 1.883 4.138 ( 0.000 1.883 0.000) 1.883 4.351 ( 0.000 -0.645 0.000) 0.645 4.351 ( 0.000 0.645 0.000) 0.645 4.602 ( 0.000 -6.085 0.000) 6.085 4.602 ( 0.000 6.085 0.000) 6.085 4.836 ( 0.000 -3.839 0.000) 3.839 4.836 ( 0.000 3.839 0.000) 3.839 5.008 ( 0.000 -5.451 0.000) 5.451 5.008 ( 0.000 5.451 0.000) 5.451 5.054 ( 0.000 -6.388 0.000) 6.388 5.054 ( 0.000 6.388 0.000) 6.388 5.490 ( 0.000 -2.909 0.000) 2.909 5.490 ( 0.000 2.909 0.000) 2.909 5.577 ( 0.000 -2.834 0.000) 2.834 5.577 ( 0.000 2.834 0.000) 2.834 5.630 ( 0.000 -0.891 0.000) 0.891 5.630 ( 0.000 0.891 0.000) 0.891 5.729 ( 0.000 -0.973 0.000) 0.973 5.729 ( 0.000 0.973 0.000) 0.973 6.266 ( 0.000 -1.004 0.000) 1.004 6.266 ( 0.000 1.004 0.000) 1.004 6.392 ( 0.000 -0.240 0.000) 0.240 6.392 ( 0.000 0.240 0.000) 0.240 6.467 ( 0.000 -3.264 0.000) 3.264 6.467 ( 0.000 3.264 0.000) 3.264 6.574 ( 0.000 -1.127 0.000) 1.127 6.574 ( 0.000 1.127 0.000) 1.127 6.881 ( 0.000 -0.738 0.000) 0.738 6.881 ( 0.000 0.738 0.000) 0.738 7.199 ( 0.000 -2.652 0.000) 2.652 7.199 ( 0.000 2.652 0.000) 2.652 7.832 ( 0.000 -2.046 0.000) 2.046 7.832 ( 0.000 2.046 0.000) 2.046 7.959 ( 0.000 -4.473 0.000) 4.473 7.959 ( 0.000 4.473 0.000) 4.473 8.110 ( 0.000 -0.656 0.000) 0.656 8.110 ( 0.000 0.656 0.000) 0.656 8.278 ( 0.000 -0.376 0.000) 0.376 8.278 ( 0.000 0.376 0.000) 0.376 8.796 ( 0.000 -13.072 0.000) 13.072 8.796 ( 0.000 13.072 0.000) 13.072 8.877 ( 0.000 -5.277 0.000) 5.277 8.877 ( 0.000 5.277 0.000) 5.277 9.557 ( 0.000 -0.729 0.000) 0.729 9.557 ( 0.000 0.729 0.000) 0.729 10.494 ( 0.000 -6.052 0.000) 6.052 10.494 ( 0.000 6.052 0.000) 6.052 10.816 ( 0.000 -6.445 0.000) 6.445 10.816 ( 0.000 6.445 0.000) 6.445 11.165 ( 0.000 -0.976 0.000) 0.976 11.165 ( 0.000 0.976 0.000) 0.976 ======================= Grid point 20 (12/96) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 6.409 -16.165 -4.726) 18.020 1.161 ( 6.409 16.165 -4.726) 18.020 1.224 ( 12.718 -14.531 1.133) 19.343 1.224 ( 12.718 14.531 1.133) 19.343 1.849 ( 12.844 -22.168 4.656) 26.040 1.849 ( 12.844 22.168 4.656) 26.040 2.226 ( 12.269 -1.177 0.022) 12.325 2.226 ( 12.269 1.177 0.022) 12.325 2.478 ( 0.694 -0.811 -2.158) 2.407 2.478 ( 0.694 0.811 -2.158) 2.407 2.760 ( -3.316 -3.754 -2.854) 5.765 2.760 ( -3.316 3.754 -2.854) 5.765 3.121 ( 0.792 -6.882 1.661) 7.124 3.121 ( 0.792 6.882 1.661) 7.124 3.360 ( -5.068 -6.418 4.044) 9.123 3.360 ( -5.068 6.418 4.044) 9.123 3.677 ( 2.024 -6.393 -2.559) 7.178 3.677 ( 2.024 6.393 -2.559) 7.178 3.809 ( 4.533 -3.127 -1.389) 5.679 3.809 ( 4.533 3.127 -1.389) 5.679 4.141 ( -0.715 -1.399 1.058) 1.894 4.141 ( -0.715 1.399 1.058) 1.894 4.341 ( -0.557 -2.143 1.259) 2.547 4.341 ( -0.557 2.143 1.259) 2.547 4.575 ( -2.161 -2.648 -1.424) 3.703 4.575 ( -2.161 2.648 -1.424) 3.703 4.772 ( -3.400 -4.161 -1.056) 5.476 4.772 ( -3.400 4.161 -1.056) 5.476 4.952 ( -1.711 -8.308 -0.603) 8.503 4.952 ( -1.711 8.308 -0.603) 8.503 5.053 ( -0.748 -3.559 1.064) 3.789 5.053 ( -0.748 3.559 1.064) 3.789 5.410 ( -5.517 -2.605 0.337) 6.110 5.410 ( -5.517 2.605 0.337) 6.110 5.545 ( -0.343 -0.606 -0.131) 0.708 5.545 ( -0.343 0.606 -0.131) 0.708 5.769 ( 7.000 -0.662 -2.653) 7.515 5.769 ( 7.000 0.662 -2.653) 7.515 5.885 ( 11.448 -2.350 2.351) 11.921 5.885 ( 11.448 2.350 2.351) 11.921 6.219 ( -2.698 -0.961 1.839) 3.404 6.219 ( -2.698 0.961 1.839) 3.404 6.418 ( 2.687 -0.473 -0.118) 2.731 6.418 ( 2.687 0.473 -0.118) 2.731 6.550 ( 8.505 -1.489 -0.068) 8.635 6.550 ( 8.505 1.489 -0.068) 8.635 6.690 ( 7.843 -0.419 0.520) 7.871 6.690 ( 7.843 0.419 0.520) 7.871 6.909 ( 3.550 -3.407 -1.116) 5.045 6.909 ( 3.550 3.407 -1.116) 5.045 7.272 ( 6.178 -2.552 0.243) 6.689 7.272 ( 6.178 2.552 0.243) 6.689 7.846 ( 0.644 -1.772 -0.394) 1.926 7.846 ( 0.644 1.772 -0.394) 1.926 8.052 ( 7.771 -4.458 -0.211) 8.962 8.052 ( 7.771 4.458 -0.211) 8.962 8.213 ( 7.148 -4.918 -2.246) 8.962 8.213 ( 7.148 4.918 -2.246) 8.962 8.361 ( 8.504 -4.312 0.425) 9.544 8.361 ( 8.504 4.312 0.425) 9.544 8.901 ( 10.583 -12.303 -1.953) 16.346 8.901 ( 10.583 12.303 -1.953) 16.346 8.964 ( 8.674 -4.076 2.837) 9.995 8.964 ( 8.674 4.076 2.837) 9.995 9.583 ( 2.575 -1.735 -0.555) 3.154 9.583 ( 2.575 1.735 -0.555) 3.154 10.414 ( -7.255 -10.608 0.942) 12.886 10.414 ( -7.255 10.608 0.942) 12.886 10.832 ( 1.338 -6.377 -0.086) 6.517 10.832 ( 1.338 6.377 -0.086) 6.517 10.979 ( -7.562 -8.789 0.149) 11.596 10.979 ( -7.562 8.789 0.149) 11.596 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 11.573 -12.762 -6.203) 18.310 1.341 ( 11.573 12.762 -6.203) 18.310 1.522 ( 13.114 -13.098 5.243) 19.262 1.522 ( 13.114 13.098 5.243) 19.262 2.181 ( 16.427 -10.260 2.467) 19.525 2.181 ( 16.427 10.260 2.467) 19.525 2.459 ( 4.806 -0.758 -3.784) 6.163 2.459 ( 4.806 0.758 -3.784) 6.163 2.542 ( 8.019 -1.303 1.682) 8.296 2.542 ( 8.019 1.303 1.682) 8.296 2.752 ( 4.545 -2.366 -3.394) 6.146 2.752 ( 4.545 2.366 -3.394) 6.146 3.122 ( -1.470 -1.382 1.574) 2.559 3.122 ( -1.470 1.382 1.574) 2.559 3.298 ( -0.349 -4.616 4.682) 6.584 3.298 ( -0.349 4.616 4.682) 6.584 3.713 ( 1.660 -4.964 -3.407) 6.245 3.713 ( 1.660 4.964 -3.407) 6.245 3.853 ( -1.027 -2.259 -1.453) 2.875 3.853 ( -1.027 2.259 -1.453) 2.875 4.083 ( -4.808 -1.095 0.940) 5.020 4.083 ( -4.808 1.095 0.940) 5.020 4.312 ( -2.972 -3.646 0.197) 4.708 4.312 ( -2.972 3.646 0.197) 4.708 4.580 ( 3.717 -0.555 0.238) 3.766 4.580 ( 3.717 0.555 0.239) 3.766 4.739 ( 0.327 -4.284 -1.354) 4.505 4.739 ( 0.327 4.284 -1.354) 4.505 4.904 ( -3.343 -7.461 -0.874) 8.222 4.904 ( -3.343 7.461 -0.874) 8.222 5.078 ( 3.642 -0.553 0.473) 3.714 5.078 ( 3.642 0.553 0.473) 3.714 5.375 ( 2.370 -2.310 -0.712) 3.385 5.375 ( 2.370 2.310 -0.712) 3.385 5.556 ( 1.511 -1.985 0.306) 2.513 5.556 ( 1.511 1.985 0.306) 2.513 5.885 ( 4.916 -1.294 -1.557) 5.316 5.885 ( 4.916 1.294 -1.557) 5.316 6.086 ( 6.675 -0.568 2.215) 7.056 6.086 ( 6.675 0.568 2.215) 7.056 6.216 ( 3.232 -2.900 0.289) 4.352 6.216 ( 3.232 2.900 0.289) 4.352 6.480 ( 2.965 -1.458 0.189) 3.309 6.480 ( 2.965 1.458 0.189) 3.309 6.760 ( 9.141 -3.596 -0.861) 9.861 6.760 ( 9.141 3.596 -0.861) 9.861 6.836 ( 6.168 -0.376 1.208) 6.296 6.836 ( 6.168 0.376 1.208) 6.296 7.053 ( 10.230 -4.951 -0.933) 11.404 7.053 ( 10.230 4.951 -0.933) 11.404 7.416 ( 6.911 -2.149 0.492) 7.254 7.416 ( 6.911 2.149 0.492) 7.254 7.848 ( -0.265 -1.663 -1.598) 2.321 7.848 ( -0.265 1.663 -1.598) 2.321 8.182 ( 4.142 -0.668 0.717) 4.256 8.182 ( 4.142 0.668 0.717) 4.256 8.366 ( 7.120 -4.429 -1.924) 8.603 8.366 ( 7.120 4.429 -1.924) 8.603 8.596 ( 12.416 -8.797 1.153) 15.260 8.596 ( 12.416 8.797 1.153) 15.260 9.144 ( 11.652 -9.989 -2.152) 15.498 9.144 ( 11.652 9.989 -2.152) 15.498 9.311 ( 22.849 -7.372 0.838) 24.024 9.311 ( 22.849 7.372 0.838) 24.024 9.670 ( 6.346 -3.462 -0.107) 7.230 9.670 ( 6.346 3.462 -0.107) 7.230 10.317 ( 0.100 -12.184 1.416) 12.266 10.317 ( 0.100 12.184 1.416) 12.266 10.849 ( 0.535 -7.146 -0.237) 7.170 10.849 ( 0.535 7.146 -0.237) 7.170 10.985 ( 5.387 -7.141 0.107) 8.946 10.985 ( 5.387 7.141 0.107) 8.946 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 10.297 -7.902 -2.820) 13.282 1.582 ( 10.297 7.902 -2.820) 13.282 1.755 ( 9.252 -9.953 4.229) 14.232 1.755 ( 9.252 9.953 4.229) 14.232 2.401 ( 3.779 -2.714 -1.781) 4.982 2.401 ( 3.779 2.714 -1.781) 4.982 2.514 ( 1.897 -0.888 -1.018) 2.328 2.514 ( 1.897 0.888 -1.018) 2.328 2.705 ( 8.118 -1.436 -0.080) 8.244 2.705 ( 8.118 1.436 -0.080) 8.244 2.925 ( 8.092 -4.482 0.161) 9.252 2.925 ( 8.092 4.482 0.161) 9.252 3.080 ( -1.791 -7.259 1.306) 7.590 3.080 ( -1.791 7.259 1.306) 7.590 3.325 ( 2.095 -0.993 1.912) 3.005 3.325 ( 2.095 0.993 1.912) 3.005 3.744 ( -0.788 -2.632 -3.878) 4.752 3.744 ( -0.788 2.632 -3.878) 4.752 3.790 ( -1.726 -4.072 0.987) 4.532 3.790 ( -1.726 4.072 0.987) 4.532 3.980 ( -3.918 -1.713 -0.927) 4.376 3.980 ( -3.918 1.713 -0.927) 4.376 4.248 ( -2.328 -3.561 -0.131) 4.256 4.248 ( -2.328 3.561 -0.131) 4.256 4.634 ( 0.511 -5.779 0.344) 5.811 4.634 ( 0.511 5.779 0.344) 5.812 4.815 ( -0.923 -3.523 0.068) 3.642 4.815 ( -0.923 3.523 0.068) 3.642 4.849 ( 5.556 -5.785 -0.663) 8.048 4.849 ( 5.556 5.785 -0.663) 8.048 5.176 ( 4.886 -2.969 0.108) 5.718 5.176 ( 4.886 2.969 0.108) 5.718 5.465 ( 4.757 -2.173 -1.667) 5.489 5.465 ( 4.757 2.173 -1.667) 5.489 5.591 ( 1.590 -3.208 1.287) 3.805 5.591 ( 1.590 3.208 1.287) 3.805 5.983 ( 4.515 -2.258 -0.642) 5.088 5.983 ( 4.515 2.258 -0.642) 5.088 6.173 ( 2.719 -0.783 1.976) 3.451 6.173 ( 2.719 0.783 1.976) 3.451 6.334 ( 6.460 -1.793 -1.306) 6.830 6.334 ( 6.460 1.793 -1.306) 6.830 6.537 ( 2.471 -2.224 0.764) 3.411 6.537 ( 2.471 2.224 0.764) 3.411 6.875 ( 2.616 -2.579 -2.150) 4.256 6.875 ( 2.616 2.579 -2.150) 4.256 6.956 ( 4.944 -3.038 0.829) 5.862 6.956 ( 4.944 3.038 0.829) 5.862 7.282 ( 10.183 -2.152 0.154) 10.409 7.282 ( 10.183 2.152 0.154) 10.409 7.542 ( 5.031 -1.408 0.520) 5.250 7.542 ( 5.031 1.408 0.520) 5.250 7.838 ( -0.532 -1.377 -1.585) 2.166 7.838 ( -0.532 1.377 -1.585) 2.166 8.251 ( 2.862 -1.145 0.478) 3.120 8.251 ( 2.862 1.145 0.478) 3.120 8.487 ( 4.539 -2.959 -0.525) 5.443 8.487 ( 4.539 2.959 -0.525) 5.443 8.818 ( 8.275 -9.147 0.455) 12.344 8.818 ( 8.275 9.147 0.455) 12.344 9.374 ( 9.930 -9.035 -1.940) 13.565 9.374 ( 9.930 9.035 -1.940) 13.565 9.648 ( 6.577 -8.126 0.881) 10.491 9.648 ( 6.577 8.126 0.881) 10.491 9.955 ( 20.792 -6.061 0.006) 21.657 9.955 ( 20.792 6.061 0.006) 21.657 10.407 ( 6.832 -8.052 0.924) 10.601 10.407 ( 6.832 8.052 0.924) 10.601 10.863 ( 0.648 -5.956 -0.787) 6.043 10.863 ( 0.648 5.956 -0.787) 6.043 11.115 ( 6.010 -5.160 0.326) 7.928 11.115 ( 6.010 5.160 0.326) 7.928 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 3.345 -6.062 -0.499) 6.942 1.725 ( 3.345 6.062 -0.499) 6.942 1.903 ( 4.205 -7.010 1.633) 8.336 1.903 ( 4.205 7.010 1.633) 8.336 2.423 ( 0.060 -5.099 -1.852) 5.425 2.423 ( 0.060 5.099 -1.852) 5.425 2.529 ( -0.114 -1.763 0.661) 1.887 2.529 ( -0.114 1.763 0.661) 1.887 2.850 ( 5.095 -0.411 -1.222) 5.256 2.850 ( 5.095 0.411 -1.222) 5.256 2.981 ( -1.717 -2.287 1.859) 3.411 2.981 ( -1.717 2.287 1.859) 3.411 3.078 ( 0.939 -6.933 0.056) 6.997 3.078 ( 0.939 6.933 0.056) 6.997 3.370 ( 1.523 -2.050 0.076) 2.555 3.370 ( 1.523 2.050 0.076) 2.555 3.675 ( -2.331 -1.937 -1.546) 3.403 3.675 ( -2.331 1.937 -1.546) 3.403 3.810 ( 0.671 -3.821 0.757) 3.952 3.810 ( 0.671 3.821 0.757) 3.952 3.949 ( 0.440 -2.351 -0.773) 2.514 3.949 ( 0.440 2.351 -0.773) 2.514 4.216 ( -0.900 -2.311 0.050) 2.480 4.216 ( -0.900 2.311 0.050) 2.480 4.649 ( 1.120 -3.308 -0.276) 3.504 4.649 ( 1.120 3.308 -0.276) 3.504 4.747 ( -2.760 -4.283 0.283) 5.104 4.747 ( -2.760 4.283 0.283) 5.104 4.997 ( 4.660 -2.340 -0.037) 5.215 4.997 ( 4.660 2.340 -0.037) 5.215 5.250 ( 1.825 -4.838 0.224) 5.176 5.250 ( 1.825 4.838 0.224) 5.176 5.523 ( 0.929 -0.740 -1.209) 1.694 5.523 ( 0.929 0.740 -1.209) 1.694 5.626 ( 1.355 -2.999 0.897) 3.411 5.626 ( 1.355 2.999 0.897) 3.411 6.056 ( 2.055 -2.716 -0.133) 3.409 6.056 ( 2.055 2.716 -0.133) 3.409 6.213 ( 1.021 -1.586 0.686) 2.007 6.213 ( 1.021 1.586 0.686) 2.007 6.437 ( 2.836 -0.491 -0.764) 2.978 6.437 ( 2.836 0.491 -0.764) 2.978 6.578 ( 1.198 -1.708 0.612) 2.174 6.578 ( 1.198 1.708 0.612) 2.174 6.897 ( 0.128 -2.093 -0.973) 2.312 6.897 ( 0.128 2.093 -0.973) 2.312 7.028 ( 1.817 -3.450 0.220) 3.906 7.028 ( 1.817 3.451 0.220) 3.906 7.431 ( 3.763 -1.070 0.048) 3.912 7.431 ( 3.763 1.070 0.048) 3.912 7.616 ( 1.859 -0.442 0.204) 1.921 7.616 ( 1.859 0.442 0.204) 1.921 7.830 ( -0.125 -0.611 -0.596) 0.862 7.830 ( -0.125 0.611 -0.596) 0.862 8.297 ( 1.272 -1.882 0.168) 2.278 8.297 ( 1.272 1.882 0.168) 2.278 8.551 ( 1.599 -2.810 -0.078) 3.234 8.551 ( 1.599 2.810 -0.078) 3.235 8.933 ( 2.771 -7.543 0.001) 8.036 8.933 ( 2.771 7.543 0.001) 8.036 9.525 ( 4.098 -7.463 -0.836) 8.555 9.525 ( 4.098 7.463 -0.836) 8.555 9.717 ( 1.291 -8.005 0.527) 8.125 9.717 ( 1.291 8.005 0.527) 8.125 10.297 ( 9.294 -4.347 0.280) 10.264 10.297 ( 9.294 4.347 0.280) 10.264 10.531 ( 3.772 -6.030 0.206) 7.116 10.531 ( 3.772 6.030 0.206) 7.116 10.870 ( 0.077 -3.161 -0.515) 3.203 10.870 ( 0.077 3.161 -0.515) 3.203 11.207 ( 2.415 -1.980 0.145) 3.126 11.207 ( 2.415 1.980 0.145) 3.126 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 1.966 0.000 23.724) 23.806 0.543 ( 0.840 0.000 28.344) 28.357 0.774 ( 4.739 0.000 39.919) 40.199 1.785 ( -1.211 0.000 0.283) 1.244 1.806 ( 1.299 0.000 1.431) 1.933 2.059 ( 0.483 0.000 -6.175) 6.194 2.087 ( -4.331 0.000 -7.012) 8.242 2.123 ( 0.234 0.000 -7.399) 7.402 2.295 ( 0.101 0.000 4.072) 4.073 2.549 ( -2.550 0.000 -8.310) 8.693 2.708 ( 0.924 0.000 4.005) 4.110 2.868 ( 0.063 0.000 -1.772) 1.774 2.948 ( -1.462 0.000 4.351) 4.590 3.192 ( 5.939 0.000 -4.389) 7.385 3.205 ( -1.599 0.000 -2.030) 2.584 3.329 ( -5.609 0.000 -4.086) 6.940 3.587 ( 5.546 0.000 9.194) 10.737 3.814 ( 2.058 0.000 0.791) 2.204 3.831 ( -10.519 0.000 3.290) 11.022 4.103 ( 3.039 0.000 2.622) 4.013 4.126 ( -2.396 0.000 1.532) 2.844 4.246 ( -0.026 0.000 2.864) 2.864 4.374 ( -0.856 0.000 4.654) 4.732 4.496 ( -2.105 0.000 -1.208) 2.427 4.528 ( 1.453 0.000 4.767) 4.984 4.610 ( -1.210 0.000 -3.617) 3.814 4.700 ( 2.014 0.000 4.279) 4.729 4.815 ( -4.535 0.000 -0.656) 4.582 4.922 ( 12.597 0.000 -4.610) 13.414 5.041 ( 1.730 0.000 -3.217) 3.653 5.184 ( -5.571 0.000 -1.672) 5.816 5.288 ( 9.323 0.000 2.782) 9.729 5.338 ( -5.647 0.000 0.292) 5.655 5.504 ( 2.122 0.000 2.283) 3.117 5.505 ( -5.655 0.000 -1.016) 5.746 5.564 ( 11.191 0.000 1.810) 11.337 5.631 ( 3.783 0.000 0.636) 3.836 5.730 ( 0.070 0.000 -1.900) 1.901 5.740 ( -4.015 0.000 0.602) 4.060 5.769 ( -2.285 0.000 2.277) 3.226 6.173 ( 1.059 0.000 1.159) 1.570 6.255 ( -2.575 0.000 -0.112) 2.577 6.344 ( 7.259 0.000 -0.633) 7.286 6.377 ( 0.870 0.000 0.235) 0.901 6.394 ( -6.935 0.000 1.586) 7.114 6.406 ( 0.498 0.000 -0.700) 0.860 6.455 ( -0.530 0.000 -1.184) 1.297 6.624 ( 1.965 0.000 -2.973) 3.564 6.863 ( -0.665 0.000 0.699) 0.965 6.939 ( 1.313 0.000 -1.848) 2.266 7.177 ( 0.320 0.000 -1.028) 1.077 7.197 ( -13.364 0.000 -2.479) 13.592 7.803 ( -1.861 0.000 -0.535) 1.936 7.834 ( -0.397 0.000 0.755) 0.853 7.843 ( -2.406 0.000 -3.433) 4.192 7.967 ( -4.034 0.000 1.717) 4.384 8.155 ( -5.006 0.000 2.258) 5.491 8.213 ( 0.259 0.000 0.387) 0.466 8.285 ( -0.842 0.000 3.705) 3.799 8.413 ( 1.223 0.000 -0.007) 1.223 8.422 ( -2.079 0.000 1.930) 2.837 8.775 ( 0.717 0.000 -1.005) 1.234 8.861 ( 42.138 0.000 -1.688) 42.172 8.987 ( -0.784 0.000 -6.260) 6.309 9.485 ( 0.183 0.000 -1.846) 1.855 9.647 ( -0.887 0.000 1.163) 1.463 10.377 ( 0.554 0.000 -14.741) 14.751 10.555 ( -2.139 0.000 -3.663) 4.242 10.616 ( -0.297 0.000 0.345) 0.456 10.762 ( 1.256 0.000 3.646) 3.856 11.044 ( -0.684 0.000 2.741) 2.825 11.329 ( -0.131 0.000 -2.051) 2.055 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 18.352 0.000 16.746) 24.843 0.765 ( 16.467 0.000 20.999) 26.686 1.241 ( 31.520 0.000 24.903) 40.171 1.857 ( 6.092 0.000 -2.181) 6.471 1.934 ( 4.891 0.000 -0.032) 4.891 2.063 ( 7.916 0.000 -5.579) 9.684 2.140 ( 7.568 0.000 -4.628) 8.871 2.245 ( 11.889 0.000 -5.012) 12.902 2.308 ( 1.418 0.000 2.448) 2.829 2.485 ( -3.612 0.000 -5.452) 6.540 2.644 ( -1.725 0.000 -2.856) 3.336 2.791 ( -6.855 0.000 -3.298) 7.607 2.979 ( 4.999 0.000 5.527) 7.452 3.156 ( -6.448 0.000 1.332) 6.584 3.186 ( 0.374 0.000 -4.185) 4.202 3.401 ( 7.010 0.000 -1.472) 7.163 3.651 ( -2.713 0.000 0.855) 2.844 3.740 ( 2.406 0.000 5.109) 5.647 3.893 ( 3.220 0.000 2.157) 3.876 4.072 ( -0.442 0.000 2.823) 2.857 4.156 ( 1.642 0.000 4.003) 4.327 4.234 ( -1.818 0.000 4.439) 4.797 4.374 ( -0.806 0.000 5.479) 5.538 4.411 ( -5.815 0.000 -4.445) 7.319 4.514 ( -1.465 0.000 2.786) 3.147 4.606 ( -0.271 0.000 -0.718) 0.768 4.738 ( -3.136 0.000 -2.475) 3.995 4.739 ( 2.566 0.000 3.667) 4.476 4.883 ( -3.167 0.000 2.997) 4.360 5.031 ( -1.299 0.000 -2.458) 2.780 5.121 ( 1.114 0.000 -3.804) 3.964 5.167 ( -7.583 0.000 -0.533) 7.601 5.266 ( -2.515 0.000 1.951) 3.183 5.485 ( 2.553 0.000 -0.329) 2.574 5.486 ( -3.521 0.000 3.424) 4.911 5.573 ( -6.403 0.000 -3.247) 7.179 5.778 ( 3.302 0.000 -0.498) 3.339 5.809 ( 6.816 0.000 -2.171) 7.154 5.869 ( 12.309 0.000 3.087) 12.690 6.021 ( 6.872 0.000 0.081) 6.873 6.178 ( -1.626 0.000 1.666) 2.328 6.280 ( -1.717 0.000 1.418) 2.227 6.312 ( 11.614 0.000 -5.448) 12.828 6.445 ( 5.522 0.000 -1.757) 5.795 6.463 ( 4.430 0.000 0.007) 4.430 6.508 ( 7.150 0.000 -0.402) 7.161 6.588 ( 9.299 0.000 -2.078) 9.529 6.725 ( 7.738 0.000 -3.017) 8.305 6.876 ( 3.676 0.000 0.520) 3.713 7.016 ( 5.598 0.000 -2.203) 6.016 7.097 ( 3.224 0.000 4.441) 5.488 7.254 ( 6.229 0.000 -0.057) 6.229 7.826 ( -0.355 0.000 0.560) 0.663 7.872 ( 7.895 0.000 -0.591) 7.917 7.931 ( 0.149 0.000 2.010) 2.015 7.942 ( 9.247 0.000 -0.675) 9.271 8.223 ( 1.107 0.000 1.519) 1.880 8.267 ( 0.440 0.000 4.049) 4.072 8.390 ( 22.513 0.000 -0.626) 22.521 8.402 ( 2.131 0.000 0.288) 2.151 8.544 ( 10.037 0.000 1.623) 10.167 8.867 ( 7.518 0.000 -1.224) 7.617 9.057 ( 8.470 0.000 -7.354) 11.217 9.356 ( 10.096 0.000 -12.796) 16.300 9.534 ( 5.957 0.000 -2.767) 6.568 9.682 ( 4.318 0.000 0.624) 4.362 9.968 ( -19.601 0.000 26.250) 32.761 10.420 ( 4.320 0.000 -12.395) 13.126 10.632 ( 1.753 0.000 0.324) 1.783 10.786 ( 0.492 0.000 3.596) 3.630 11.037 ( 0.593 0.000 2.114) 2.196 11.143 ( -3.682 0.000 -1.611) 4.019 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 18.980 0.000 10.625) 21.751 1.151 ( 18.634 0.000 13.351) 22.923 1.800 ( 13.191 0.000 3.643) 13.685 1.983 ( 6.223 0.000 -4.054) 7.427 2.074 ( 17.483 0.000 3.618) 17.853 2.301 ( 8.425 0.000 3.953) 9.306 2.306 ( 4.231 0.000 0.160) 4.234 2.420 ( -0.624 0.000 -4.103) 4.150 2.425 ( 12.751 0.000 0.357) 12.756 2.543 ( 14.261 0.000 -4.370) 14.916 2.653 ( -5.195 0.000 -1.734) 5.477 2.736 ( 10.368 0.000 -6.513) 12.244 3.010 ( -6.756 0.000 2.091) 7.073 3.124 ( 8.076 0.000 6.411) 10.312 3.230 ( 4.390 0.000 -6.330) 7.703 3.466 ( -2.066 0.000 5.109) 5.511 3.603 ( 0.028 0.000 -4.824) 4.825 3.740 ( -2.815 0.000 3.221) 4.278 3.890 ( -3.502 0.000 -0.012) 3.502 4.073 ( -1.316 0.000 3.440) 3.683 4.088 ( -9.003 0.000 0.605) 9.023 4.181 ( -6.706 0.000 0.459) 6.722 4.293 ( -6.930 0.000 2.158) 7.258 4.308 ( 0.397 0.000 2.277) 2.311 4.540 ( 3.267 0.000 3.621) 4.877 4.580 ( -1.985 0.000 1.524) 2.503 4.722 ( 4.310 0.000 -2.163) 4.822 4.795 ( 0.831 0.000 3.034) 3.146 4.927 ( 5.887 0.000 2.311) 6.324 5.020 ( 1.742 0.000 -1.930) 2.600 5.134 ( 4.693 0.000 -0.046) 4.693 5.185 ( 4.131 0.000 -2.775) 4.976 5.284 ( 4.252 0.000 1.476) 4.500 5.411 ( -2.492 0.000 2.573) 3.583 5.487 ( -1.425 0.000 -4.061) 4.304 5.562 ( 4.332 0.000 0.180) 4.336 5.866 ( 4.441 0.000 -1.108) 4.577 5.950 ( 6.952 0.000 -3.393) 7.736 6.076 ( 1.834 0.000 1.649) 2.466 6.127 ( 11.095 0.000 4.228) 11.874 6.133 ( -1.026 0.000 0.630) 1.204 6.306 ( 2.880 0.000 1.053) 3.066 6.432 ( 2.087 0.000 -0.439) 2.132 6.562 ( 4.709 0.000 0.472) 4.733 6.637 ( 5.148 0.000 -0.115) 5.149 6.663 ( 10.174 0.000 -4.858) 11.274 6.752 ( 7.270 0.000 -5.126) 8.895 6.940 ( 12.082 0.000 -4.558) 12.913 7.024 ( 8.566 0.000 1.506) 8.697 7.154 ( 7.511 0.000 -2.893) 8.048 7.227 ( 8.234 0.000 5.217) 9.747 7.384 ( 5.510 0.000 0.026) 5.510 7.825 ( 0.387 0.000 0.818) 0.905 7.954 ( 1.622 0.000 1.281) 2.067 8.038 ( 6.191 0.000 0.552) 6.216 8.152 ( 10.043 0.000 -1.572) 10.165 8.245 ( 1.098 0.000 1.826) 2.130 8.287 ( 1.345 0.000 4.072) 4.289 8.498 ( 6.539 0.000 0.617) 6.568 8.830 ( 15.915 0.000 1.476) 15.983 8.994 ( 32.135 0.000 -1.056) 32.152 9.020 ( 6.472 0.000 -3.571) 7.392 9.396 ( 24.305 0.000 -6.192) 25.082 9.456 ( 3.875 0.000 -3.467) 5.200 9.649 ( 2.767 0.000 2.528) 3.748 9.824 ( 8.955 0.000 0.049) 8.955 9.940 ( 11.109 0.000 8.689) 14.104 10.543 ( 7.525 0.000 -8.890) 11.647 10.692 ( 4.048 0.000 0.346) 4.063 10.791 ( 0.759 0.000 3.194) 3.283 11.082 ( 3.147 0.000 0.626) 3.208 11.100 ( -1.143 0.000 -3.616) 3.792 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 14.284 0.000 8.299) 16.520 1.513 ( 15.094 0.000 8.609) 17.376 1.905 ( 2.356 0.000 -2.940) 3.767 2.093 ( 3.506 0.000 -2.424) 4.262 2.318 ( -0.740 0.000 4.219) 4.284 2.390 ( 4.346 0.000 -0.669) 4.397 2.494 ( 5.175 0.000 -3.952) 6.511 2.539 ( -3.758 0.000 -1.462) 4.033 2.544 ( 18.158 0.000 5.217) 18.892 2.688 ( 10.081 0.000 1.828) 10.246 2.797 ( 7.726 0.000 -1.625) 7.895 2.819 ( -3.869 0.000 -1.148) 4.036 3.043 ( 9.485 0.000 -3.559) 10.131 3.292 ( 7.506 0.000 0.803) 7.549 3.363 ( 7.091 0.000 -1.463) 7.240 3.377 ( -4.530 0.000 3.424) 5.678 3.642 ( 2.936 0.000 0.843) 3.054 3.662 ( -4.163 0.000 0.941) 4.268 3.778 ( -6.335 0.000 -6.432) 9.028 3.882 ( -8.116 0.000 -5.663) 9.896 3.998 ( -7.718 0.000 5.314) 9.371 4.016 ( -3.555 0.000 5.720) 6.735 4.120 ( -8.281 0.000 0.107) 8.281 4.376 ( 3.103 0.000 9.361) 9.862 4.534 ( -2.161 0.000 0.604) 2.244 4.650 ( 6.892 0.000 3.970) 7.954 4.770 ( -2.039 0.000 1.773) 2.702 4.883 ( 7.967 0.000 1.706) 8.148 5.048 ( 4.256 0.000 -1.588) 4.543 5.116 ( 5.970 0.000 -0.179) 5.972 5.244 ( 1.807 0.000 -0.713) 1.943 5.285 ( 8.313 0.000 -1.265) 8.409 5.390 ( 5.427 0.000 1.054) 5.528 5.441 ( 4.179 0.000 0.405) 4.198 5.483 ( 0.417 0.000 -4.421) 4.440 5.654 ( 4.105 0.000 1.105) 4.251 5.938 ( 2.376 0.000 -0.787) 2.503 6.074 ( 4.436 0.000 -2.654) 5.169 6.119 ( 0.095 0.000 -0.465) 0.475 6.127 ( 2.855 0.000 0.880) 2.988 6.338 ( 7.216 0.000 4.046) 8.273 6.388 ( 5.665 0.000 0.863) 5.731 6.473 ( 2.188 0.000 0.961) 2.390 6.649 ( 3.470 0.000 0.940) 3.595 6.717 ( 2.541 0.000 -0.365) 2.567 6.818 ( 5.472 0.000 -3.600) 6.549 6.893 ( 6.482 0.000 -4.609) 7.954 7.118 ( 4.486 0.000 -3.439) 5.652 7.189 ( 6.590 0.000 -2.151) 6.932 7.311 ( 7.258 0.000 -2.559) 7.696 7.425 ( 9.708 0.000 5.836) 11.327 7.467 ( 2.354 0.000 -0.607) 2.431 7.844 ( 1.300 0.000 0.577) 1.422 7.991 ( 1.613 0.000 2.171) 2.705 8.122 ( 2.447 0.000 0.911) 2.611 8.273 ( 1.612 0.000 2.574) 3.037 8.320 ( 1.532 0.000 3.550) 3.867 8.326 ( 6.440 0.000 -2.187) 6.801 8.650 ( 7.309 0.000 1.037) 7.383 9.077 ( 5.348 0.000 -4.708) 7.125 9.194 ( 11.667 0.000 0.287) 11.670 9.470 ( 7.907 0.000 -1.464) 8.041 9.687 ( 10.744 0.000 2.806) 11.105 9.712 ( 14.387 0.000 2.472) 14.598 9.933 ( 23.305 0.000 -3.630) 23.586 10.024 ( 10.038 0.000 -0.989) 10.087 10.209 ( 11.996 0.000 2.570) 12.269 10.677 ( 4.576 0.000 -3.288) 5.635 10.796 ( 5.742 0.000 -0.265) 5.748 10.872 ( 7.548 0.000 0.092) 7.548 11.073 ( -1.621 0.000 -3.807) 4.138 11.137 ( 1.413 0.000 -1.062) 1.767 ======================= Grid point 49 (20/96) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 3.530 0.000 7.382) 8.182 1.756 ( 6.902 0.000 5.780) 9.003 1.962 ( 4.062 0.000 -0.275) 4.072 2.108 ( -1.144 0.000 -0.644) 1.313 2.277 ( -2.883 0.000 3.541) 4.567 2.424 ( -1.505 0.000 -5.286) 5.496 2.527 ( 2.634 0.000 3.692) 4.536 2.575 ( 2.505 0.000 -1.712) 3.034 2.691 ( -0.494 0.000 1.629) 1.702 2.839 ( 4.219 0.000 0.774) 4.290 2.853 ( -1.737 0.000 -1.596) 2.358 2.937 ( 13.085 0.000 -3.095) 13.446 3.138 ( -1.309 0.000 -2.771) 3.065 3.313 ( -2.349 0.000 1.704) 2.902 3.384 ( -0.163 0.000 -0.718) 0.736 3.443 ( 0.135 0.000 -2.497) 2.501 3.583 ( -2.828 0.000 0.581) 2.888 3.681 ( -0.862 0.000 -9.132) 9.173 3.711 ( 2.953 0.000 4.839) 5.668 3.809 ( 1.240 0.000 -6.281) 6.402 3.941 ( -3.437 0.000 7.912) 8.626 3.951 ( 3.129 0.000 10.543) 10.998 4.011 ( -1.884 0.000 -0.571) 1.969 4.373 ( -4.142 0.000 12.245) 12.927 4.525 ( 1.262 0.000 -0.129) 1.269 4.739 ( -0.907 0.000 1.149) 1.464 4.804 ( 7.066 0.000 3.930) 8.086 4.921 ( -3.968 0.000 3.226) 5.114 5.135 ( 3.737 0.000 -3.765) 5.305 5.218 ( 3.143 0.000 -0.217) 3.151 5.298 ( 3.015 0.000 -0.524) 3.060 5.430 ( 3.911 0.000 -2.706) 4.756 5.459 ( -0.248 0.000 1.691) 1.709 5.482 ( 0.658 0.000 -2.946) 3.019 5.515 ( 2.539 0.000 -1.746) 3.081 5.719 ( 1.832 0.000 1.663) 2.474 5.968 ( 0.620 0.000 -0.034) 0.621 6.099 ( -0.658 0.000 -1.492) 1.631 6.149 ( 1.389 0.000 -2.544) 2.899 6.174 ( 1.174 0.000 0.277) 1.206 6.418 ( 1.750 0.000 1.100) 2.067 6.514 ( 3.989 0.000 3.954) 5.617 6.515 ( 1.301 0.000 1.518) 1.999 6.688 ( -0.031 0.000 1.937) 1.937 6.758 ( 1.840 0.000 -0.988) 2.089 6.877 ( 0.285 0.000 -5.375) 5.382 7.020 ( 5.534 0.000 -1.258) 5.675 7.167 ( 1.159 0.000 -0.467) 1.249 7.272 ( 1.767 0.000 -3.522) 3.940 7.433 ( 3.993 0.000 -1.933) 4.436 7.482 ( -0.681 0.000 -1.356) 1.517 7.586 ( 4.737 0.000 4.000) 6.200 7.876 ( 1.650 0.000 0.631) 1.767 8.009 ( -0.213 0.000 3.256) 3.263 8.154 ( 0.683 0.000 0.818) 1.066 8.310 ( 1.216 0.000 3.694) 3.889 8.347 ( 0.906 0.000 3.169) 3.295 8.417 ( 2.450 0.000 -2.266) 3.337 8.765 ( 2.915 0.000 0.656) 2.988 9.133 ( 1.133 0.000 -7.017) 7.108 9.384 ( 5.345 0.000 1.885) 5.667 9.570 ( 2.974 0.000 0.664) 3.048 9.713 ( -0.766 0.000 3.340) 3.427 10.084 ( 10.384 0.000 1.349) 10.471 10.141 ( 3.534 0.000 0.681) 3.599 10.316 ( 9.687 0.000 -4.602) 10.724 10.389 ( 4.733 0.000 1.908) 5.104 10.733 ( 1.041 0.000 -1.345) 1.701 10.916 ( 5.519 0.000 -1.665) 5.765 11.017 ( -3.742 0.000 -3.150) 4.891 11.055 ( 7.970 0.000 0.020) 7.970 11.122 ( -2.631 0.000 -2.671) 3.750 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -7.005 0.000 4.873) 8.534 1.740 ( -8.559 0.000 4.987) 9.906 2.055 ( 3.388 0.000 2.557) 4.245 2.126 ( 3.305 0.000 0.163) 3.309 2.227 ( -1.062 0.000 2.991) 3.174 2.376 ( -2.871 0.000 -2.704) 3.944 2.583 ( 2.462 0.000 1.887) 3.102 2.584 ( -2.168 0.000 -3.363) 4.001 2.731 ( 4.016 0.000 4.756) 6.225 2.758 ( -6.504 0.000 -2.480) 6.961 2.860 ( -2.030 0.000 -3.462) 4.014 2.984 ( -12.420 0.000 0.676) 12.439 3.155 ( 4.775 0.000 -2.927) 5.600 3.269 ( -0.592 0.000 -0.614) 0.853 3.312 ( -8.809 0.000 -5.826) 10.561 3.395 ( 0.169 0.000 0.645) 0.667 3.553 ( -0.051 0.000 -0.458) 0.461 3.749 ( 0.584 0.000 7.297) 7.320 3.752 ( 5.580 0.000 -0.339) 5.590 3.865 ( 3.739 0.000 -8.703) 9.472 3.932 ( 2.632 0.000 6.019) 6.569 4.013 ( 2.093 0.000 -0.292) 2.113 4.078 ( 6.648 0.000 8.879) 11.092 4.272 ( -4.463 0.000 10.402) 11.319 4.542 ( -0.032 0.000 2.379) 2.379 4.735 ( 0.455 0.000 0.965) 1.067 4.794 ( -7.002 0.000 3.502) 7.829 4.926 ( 3.200 0.000 3.446) 4.703 5.152 ( -1.592 0.000 -2.799) 3.220 5.232 ( -1.785 0.000 0.292) 1.809 5.328 ( -1.105 0.000 0.232) 1.130 5.384 ( -5.593 0.000 -3.857) 6.795 5.411 ( -3.412 0.000 -1.148) 3.600 5.507 ( -3.437 0.000 -0.778) 3.524 5.545 ( 2.563 0.000 -1.004) 2.752 5.724 ( -1.523 0.000 1.915) 2.447 5.965 ( -0.701 0.000 0.002) 0.701 6.074 ( -1.534 0.000 -2.605) 3.023 6.146 ( -1.616 0.000 -2.505) 2.981 6.164 ( -2.214 0.000 -0.077) 2.216 6.420 ( -1.674 0.000 0.420) 1.726 6.511 ( -4.346 0.000 4.523) 6.273 6.516 ( -1.170 0.000 1.306) 1.754 6.680 ( -0.620 0.000 1.179) 1.332 6.779 ( -0.121 0.000 0.354) 0.374 6.838 ( -3.318 0.000 -5.530) 6.449 7.096 ( 1.270 0.000 -1.207) 1.752 7.172 ( -0.935 0.000 1.207) 1.526 7.264 ( -2.640 0.000 -4.003) 4.796 7.414 ( -4.325 0.000 -2.700) 5.098 7.489 ( 0.077 0.000 -1.089) 1.091 7.609 ( -2.749 0.000 4.351) 5.147 7.911 ( 1.610 0.000 0.264) 1.631 7.991 ( -1.252 0.000 4.609) 4.776 8.154 ( -0.715 0.000 0.740) 1.030 8.307 ( -1.386 0.000 3.039) 3.340 8.359 ( -0.370 0.000 5.026) 5.040 8.423 ( -1.870 0.000 -2.226) 2.907 8.757 ( -3.494 0.000 0.305) 3.507 9.120 ( -2.266 0.000 -6.985) 7.343 9.405 ( -3.314 0.000 2.843) 4.367 9.573 ( -3.646 0.000 1.350) 3.888 9.674 ( -2.444 0.000 1.056) 2.662 10.093 ( -9.551 0.000 1.864) 9.731 10.157 ( -1.897 0.000 0.931) 2.113 10.319 ( -9.050 0.000 -4.752) 10.222 10.400 ( -3.720 0.000 2.251) 4.348 10.712 ( -3.305 0.000 -2.813) 4.340 10.917 ( -5.287 0.000 -1.677) 5.547 11.004 ( -6.884 0.000 -2.077) 7.191 11.013 ( 3.486 0.000 -3.305) 4.804 11.182 ( 2.714 0.000 0.481) 2.756 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -13.901 0.000 5.336) 14.890 1.473 ( -16.242 0.000 6.495) 17.493 2.070 ( -1.545 0.000 -1.123) 1.910 2.190 ( 1.833 0.000 0.728) 1.973 2.260 ( 3.040 0.000 6.821) 7.468 2.302 ( -4.140 0.000 -0.498) 4.170 2.431 ( -17.140 0.000 -2.215) 17.283 2.599 ( -8.393 0.000 -2.229) 8.684 2.607 ( -2.640 0.000 -2.021) 3.325 2.622 ( -12.050 0.000 4.199) 12.760 2.785 ( -2.771 0.000 -3.199) 4.232 2.872 ( 3.758 0.000 2.056) 4.283 3.074 ( -10.976 0.000 -3.057) 11.394 3.100 ( -10.081 0.000 -4.934) 11.223 3.308 ( 3.366 0.000 -0.379) 3.387 3.390 ( -1.545 0.000 1.043) 1.864 3.582 ( 2.102 0.000 -0.916) 2.293 3.788 ( 3.455 0.000 6.846) 7.668 3.864 ( 4.424 0.000 0.360) 4.439 3.960 ( 6.373 0.000 -5.226) 8.242 4.032 ( 5.860 0.000 5.771) 8.224 4.094 ( -4.354 0.000 3.997) 5.911 4.108 ( 6.778 0.000 -0.995) 6.851 4.326 ( 7.811 0.000 7.924) 11.127 4.535 ( -0.241 0.000 2.799) 2.809 4.648 ( -6.850 0.000 4.071) 7.969 4.751 ( 0.609 0.000 0.973) 1.148 4.921 ( -2.927 0.000 3.519) 4.577 5.078 ( -6.517 0.000 -0.145) 6.518 5.162 ( -4.141 0.000 1.315) 4.344 5.225 ( -8.907 0.000 -3.351) 9.516 5.261 ( -3.754 0.000 -1.403) 4.008 5.332 ( -4.874 0.000 -3.022) 5.734 5.404 ( -4.275 0.000 1.588) 4.560 5.567 ( -0.098 0.000 -1.011) 1.016 5.665 ( -3.834 0.000 1.724) 4.204 5.947 ( -0.989 0.000 0.239) 1.018 6.036 ( -2.040 0.000 -3.691) 4.217 6.084 ( -3.945 0.000 -1.940) 4.396 6.086 ( -4.997 0.000 -0.753) 5.053 6.350 ( -5.173 0.000 0.744) 5.227 6.379 ( -7.456 0.000 3.984) 8.454 6.481 ( -1.944 0.000 0.391) 1.983 6.644 ( -3.119 0.000 0.882) 3.241 6.749 ( -4.993 0.000 -4.900) 6.996 6.749 ( -2.723 0.000 1.063) 2.923 7.050 ( -6.132 0.000 -2.904) 6.785 7.120 ( -5.653 0.000 3.770) 6.794 7.142 ( -7.498 0.000 -6.777) 10.107 7.292 ( -7.129 0.000 -3.774) 8.066 7.452 ( -3.422 0.000 -0.741) 3.501 7.495 ( -7.388 0.000 4.556) 8.679 7.935 ( 0.594 0.000 1.124) 1.271 7.975 ( -0.563 0.000 6.216) 6.241 8.126 ( -2.080 0.000 0.928) 2.277 8.266 ( -2.570 0.000 1.754) 3.112 8.336 ( -6.334 0.000 -2.135) 6.684 8.336 ( -1.691 0.000 7.127) 7.325 8.642 ( -6.930 0.000 0.859) 6.983 9.021 ( -7.395 0.000 -6.489) 9.838 9.268 ( -9.227 0.000 3.953) 10.038 9.409 ( -12.120 0.000 -3.283) 12.557 9.617 ( -3.407 0.000 -1.079) 3.574 9.720 ( -24.910 0.000 2.945) 25.083 9.956 ( -22.355 0.000 -3.387) 22.610 10.075 ( -8.040 0.000 0.128) 8.041 10.258 ( -8.946 0.000 4.323) 9.936 10.597 ( -6.579 0.000 -7.475) 9.957 10.803 ( -5.510 0.000 -0.179) 5.513 10.862 ( -6.027 0.000 0.115) 6.029 11.061 ( 1.541 0.000 -4.192) 4.467 11.181 ( -2.298 0.000 1.285) 2.633 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -19.232 0.000 10.485) 21.905 1.105 ( -18.233 0.000 9.504) 20.561 1.827 ( -35.006 0.000 6.912) 35.682 2.008 ( -4.440 0.000 -1.608) 4.722 2.163 ( -6.924 0.000 3.521) 7.768 2.212 ( -3.005 0.000 -3.322) 4.479 2.369 ( 3.890 0.000 6.942) 7.957 2.406 ( -9.875 0.000 -1.444) 9.980 2.427 ( -11.197 0.000 -5.399) 12.431 2.458 ( -6.057 0.000 -2.530) 6.564 2.791 ( -12.841 0.000 -5.885) 14.126 2.801 ( 2.589 0.000 0.431) 2.624 2.944 ( -3.595 0.000 -1.423) 3.866 2.955 ( 4.452 0.000 -0.608) 4.494 3.335 ( -3.559 0.000 -0.457) 3.588 3.398 ( 4.692 0.000 2.392) 5.267 3.599 ( -1.133 0.000 -1.640) 1.994 3.866 ( 2.326 0.000 5.397) 5.877 3.917 ( -0.316 0.000 2.686) 2.704 4.005 ( -1.459 0.000 -4.534) 4.763 4.124 ( 7.181 0.000 2.394) 7.570 4.141 ( 3.377 0.000 5.740) 6.659 4.253 ( 6.552 0.000 2.393) 6.975 4.464 ( 4.270 0.000 2.123) 4.769 4.528 ( -4.480 0.000 3.348) 5.593 4.557 ( 2.314 0.000 3.021) 3.805 4.740 ( -1.907 0.000 0.102) 1.910 4.875 ( -9.084 0.000 -0.866) 9.125 4.903 ( 0.356 0.000 6.220) 6.230 5.042 ( -6.418 0.000 -4.069) 7.599 5.130 ( 1.583 0.000 3.019) 3.409 5.153 ( -6.514 0.000 -5.596) 8.588 5.246 ( -1.828 0.000 0.131) 1.833 5.384 ( 1.334 0.000 1.928) 2.344 5.557 ( -1.302 0.000 -1.223) 1.786 5.591 ( -1.778 0.000 1.015) 2.047 5.912 ( -3.374 0.000 2.043) 3.945 5.940 ( -7.506 0.000 -1.888) 7.740 5.984 ( -3.523 0.000 -2.401) 4.263 6.024 ( -2.122 0.000 -2.836) 3.542 6.195 ( -7.483 0.000 4.811) 8.897 6.267 ( -3.829 0.000 -0.338) 3.844 6.441 ( -2.101 0.000 -1.669) 2.683 6.556 ( -5.073 0.000 0.275) 5.081 6.613 ( -8.634 0.000 -4.538) 9.754 6.668 ( -5.090 0.000 1.125) 5.213 6.818 ( -13.804 0.000 -5.655) 14.917 6.923 ( -10.269 0.000 -0.083) 10.270 7.029 ( -5.746 0.000 0.426) 5.761 7.128 ( -7.958 0.000 -4.055) 8.932 7.345 ( -6.469 0.000 3.585) 7.396 7.355 ( -5.606 0.000 -0.709) 5.650 7.936 ( -0.592 0.000 0.559) 0.814 7.969 ( -0.059 0.000 8.511) 8.512 8.056 ( -5.023 0.000 1.397) 5.214 8.168 ( -9.586 0.000 -1.277) 9.670 8.208 ( -2.840 0.000 1.672) 3.295 8.302 ( -2.088 0.000 7.072) 7.374 8.502 ( -5.937 0.000 1.643) 6.160 8.800 ( -12.826 0.000 -3.621) 13.327 9.035 ( -25.130 0.000 -5.410) 25.706 9.060 ( -10.628 0.000 2.375) 10.890 9.153 ( -25.185 0.000 -5.064) 25.689 9.450 ( -22.829 0.000 -4.553) 23.278 9.553 ( -2.939 0.000 -1.116) 3.144 9.882 ( -9.735 0.000 1.593) 9.865 10.094 ( -5.587 0.000 10.152) 11.588 10.475 ( -4.393 0.000 -12.878) 13.607 10.698 ( -4.283 0.000 0.257) 4.291 10.768 ( -2.882 0.000 2.637) 3.906 11.086 ( 1.392 0.000 -3.864) 4.107 11.114 ( -3.532 0.000 2.182) 4.152 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -18.691 0.000 16.560) 24.972 0.723 ( -16.423 0.000 18.891) 25.032 1.089 ( -32.622 0.000 19.784) 38.152 1.885 ( -6.750 0.000 -0.034) 6.751 1.933 ( -11.910 0.000 1.716) 12.033 2.151 ( -4.833 0.000 -5.405) 7.251 2.173 ( -7.405 0.000 -8.232) 11.072 2.221 ( -9.662 0.000 -4.078) 10.487 2.308 ( -2.126 0.000 4.052) 4.576 2.556 ( 8.487 0.000 3.816) 9.306 2.619 ( -3.903 0.000 -7.558) 8.506 2.849 ( 1.768 0.000 -1.082) 2.073 2.941 ( 1.626 0.000 4.144) 4.451 3.067 ( 6.130 0.000 -3.656) 7.137 3.254 ( -3.458 0.000 -1.885) 3.938 3.488 ( 2.586 0.000 5.456) 6.037 3.502 ( -6.737 0.000 -2.950) 7.355 3.847 ( -4.292 0.000 0.350) 4.307 3.891 ( 1.381 0.000 6.008) 6.165 4.036 ( 3.061 0.000 -0.605) 3.120 4.145 ( -2.911 0.000 6.311) 6.950 4.229 ( 2.381 0.000 2.980) 3.814 4.374 ( 3.505 0.000 6.821) 7.669 4.480 ( 0.215 0.000 2.458) 2.468 4.510 ( 0.429 0.000 -0.024) 0.429 4.624 ( 3.726 0.000 2.260) 4.357 4.677 ( -3.431 0.000 -1.276) 3.661 4.723 ( -2.064 0.000 -2.240) 3.046 4.916 ( -4.029 0.000 2.740) 4.872 4.989 ( 1.440 0.000 -4.079) 4.326 5.116 ( 5.281 0.000 -1.706) 5.550 5.235 ( -0.024 0.000 -0.560) 0.561 5.254 ( 9.160 0.000 3.633) 9.855 5.432 ( 2.983 0.000 0.887) 3.112 5.498 ( -2.929 0.000 -0.919) 3.069 5.617 ( 1.460 0.000 -2.649) 3.025 5.753 ( -8.830 0.000 1.441) 8.947 5.815 ( -4.969 0.000 0.239) 4.975 5.905 ( -8.470 0.000 0.144) 8.471 5.921 ( -5.699 0.000 -2.106) 6.076 6.146 ( 1.459 0.000 1.122) 1.840 6.233 ( 1.590 0.000 -0.568) 1.688 6.346 ( -8.215 0.000 -8.963) 12.158 6.429 ( -4.478 0.000 0.674) 4.528 6.452 ( -4.331 0.000 -0.589) 4.371 6.544 ( -6.812 0.000 1.229) 6.922 6.582 ( -8.827 0.000 -4.108) 9.736 6.705 ( -9.420 0.000 0.405) 9.429 6.916 ( -4.591 0.000 1.190) 4.743 6.983 ( -5.189 0.000 -3.122) 6.056 7.236 ( -5.166 0.000 -0.963) 5.255 7.276 ( 0.634 0.000 2.077) 2.172 7.910 ( -2.025 0.000 -1.261) 2.386 7.917 ( -7.829 0.000 1.675) 8.007 7.957 ( -9.567 0.000 -0.188) 9.569 8.002 ( 3.094 0.000 6.670) 7.352 8.161 ( -0.374 0.000 6.038) 6.049 8.250 ( -2.740 0.000 5.087) 5.778 8.412 ( -2.488 0.000 2.028) 3.210 8.523 ( -19.457 0.000 6.676) 20.570 8.554 ( -9.407 0.000 -0.726) 9.435 8.646 ( -23.394 0.000 -18.337) 29.725 8.851 ( -7.964 0.000 -0.293) 7.969 9.100 ( -10.386 0.000 -5.477) 11.741 9.504 ( -1.699 0.000 -1.641) 2.362 9.715 ( -5.830 0.000 1.627) 6.053 10.118 ( 10.872 0.000 19.300) 22.152 10.401 ( -2.084 0.000 -15.323) 15.465 10.634 ( -1.910 0.000 0.197) 1.920 10.744 ( 0.115 0.000 3.594) 3.596 11.061 ( -1.507 0.000 2.868) 3.240 11.131 ( 3.783 0.000 -1.429) 4.043 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -3.870 16.476 11.873) 20.674 0.711 ( 1.860 18.325 14.427) 23.396 1.285 ( 3.843 27.550 27.027) 38.785 1.518 ( 2.443 -17.118 2.307) 17.445 1.634 ( -4.704 -19.931 -2.745) 20.662 1.987 ( 0.684 0.435 -4.066) 4.146 2.057 ( 0.890 -0.397 -5.727) 5.809 2.191 ( -0.451 -2.314 -0.175) 2.364 2.362 ( -1.404 2.666 -4.792) 5.661 2.503 ( -1.585 -6.831 -1.700) 7.216 2.690 ( -0.780 3.161 -1.044) 3.419 2.856 ( -1.456 -1.571 -2.230) 3.092 3.016 ( -0.274 5.185 4.795) 7.067 3.248 ( 2.518 5.835 -1.641) 6.564 3.303 ( 3.899 -0.168 -3.532) 5.263 3.348 ( -3.167 4.221 -0.982) 5.367 3.557 ( 3.865 1.673 3.526) 5.493 3.693 ( -3.140 -4.817 4.814) 7.499 3.897 ( -5.041 -0.915 4.498) 6.817 3.938 ( -0.100 -6.706 2.609) 7.196 4.180 ( 4.030 -2.211 1.186) 4.747 4.240 ( -0.433 -5.284 3.920) 6.593 4.324 ( 0.057 2.606 2.245) 3.440 4.405 ( 1.597 -0.072 6.713) 6.901 4.553 ( -1.546 0.852 0.305) 1.792 4.690 ( -3.587 1.122 -4.057) 5.530 4.743 ( -1.254 0.841 0.489) 1.587 4.824 ( -3.084 2.085 -0.544) 3.762 4.926 ( 8.884 2.254 -0.175) 9.167 4.983 ( 0.695 -1.812 -1.423) 2.406 5.127 ( -3.242 -5.528 -1.772) 6.649 5.254 ( -1.693 -7.023 3.262) 7.927 5.381 ( 7.225 5.972 1.191) 9.449 5.502 ( 1.320 0.333 -0.253) 1.384 5.537 ( -8.667 1.392 -1.334) 8.879 5.580 ( 7.347 1.353 1.461) 7.612 5.640 ( 0.743 0.530 0.543) 1.062 5.667 ( -2.378 -3.658 -1.379) 4.576 5.734 ( 0.326 -0.724 0.702) 1.059 5.772 ( -0.630 -1.178 1.433) 1.959 6.233 ( 2.328 1.461 -1.673) 3.218 6.268 ( 1.545 0.106 -1.306) 2.025 6.372 ( 0.876 1.335 -1.877) 2.464 6.386 ( 1.790 0.583 -0.119) 1.886 6.412 ( 0.745 0.845 -1.040) 1.533 6.423 ( -4.786 2.199 -1.437) 5.460 6.508 ( -1.279 3.129 -1.842) 3.850 6.617 ( 0.999 -1.610 -0.873) 2.086 6.872 ( 0.281 1.067 0.854) 1.395 6.940 ( -1.277 -1.298 0.241) 1.837 7.127 ( -1.164 1.795 1.393) 2.553 7.214 ( -1.397 0.302 -1.275) 1.915 7.804 ( -0.063 0.220 0.046) 0.233 7.835 ( -0.056 1.030 -1.890) 2.153 7.893 ( -1.698 1.581 -0.153) 2.325 8.003 ( -2.553 1.405 -1.098) 3.114 8.141 ( -4.637 -2.216 2.800) 5.853 8.192 ( 3.233 -1.753 2.849) 4.652 8.248 ( 1.698 -1.884 3.052) 3.969 8.300 ( -2.134 -0.243 2.913) 3.619 8.526 ( 0.251 8.671 -0.501) 8.689 8.770 ( 1.696 0.830 -2.264) 2.948 8.941 ( 0.785 -2.870 -4.848) 5.688 9.001 ( 9.231 -1.931 -6.039) 11.198 9.523 ( 0.412 2.316 -1.449) 2.763 9.566 ( -1.877 -2.951 2.029) 4.043 10.279 ( 0.411 0.055 -10.491) 10.499 10.493 ( 1.084 -5.475 -9.289) 10.837 10.716 ( -0.225 5.898 1.174) 6.018 10.923 ( -0.748 1.367 -1.330) 2.049 11.062 ( -0.240 4.028 -0.519) 4.068 11.258 ( 0.015 -4.337 1.094) 4.473 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 16.471 8.525 10.309) 21.219 1.017 ( 19.579 12.869 13.297) 26.940 1.505 ( 10.334 5.049 14.570) 18.563 1.610 ( 9.129 -5.527 2.471) 10.954 1.708 ( 13.831 -14.096 4.620) 20.282 2.130 ( 11.368 1.433 -3.978) 12.129 2.166 ( 5.278 0.902 -4.785) 7.181 2.248 ( 9.896 -0.775 -4.076) 10.731 2.352 ( 1.917 1.400 -3.466) 4.201 2.449 ( -2.607 -4.123 -2.810) 5.629 2.635 ( -2.395 1.534 -3.386) 4.422 2.782 ( -4.487 -1.534 -1.906) 5.110 3.052 ( 3.862 5.834 5.562) 8.938 3.193 ( -5.443 3.409 0.853) 6.479 3.257 ( -1.681 3.959 -1.903) 4.703 3.464 ( 6.540 5.628 -2.419) 8.961 3.565 ( -3.221 -6.405 2.647) 7.642 3.732 ( 3.188 0.620 4.746) 5.751 3.852 ( 0.984 -5.539 0.645) 5.663 3.969 ( 2.102 -3.896 4.081) 6.021 4.205 ( -2.288 -2.562 3.865) 5.171 4.260 ( 0.544 -5.492 1.912) 5.841 4.292 ( -1.765 6.095 2.831) 6.948 4.424 ( -0.719 -1.044 4.808) 4.972 4.532 ( -0.367 2.723 0.785) 2.857 4.595 ( -3.716 -1.549 -3.761) 5.509 4.704 ( -0.914 -0.643 2.785) 3.001 4.789 ( -1.830 3.630 -1.077) 4.206 4.891 ( -4.329 -3.613 1.796) 5.918 4.995 ( 0.662 2.796 0.118) 2.876 5.093 ( 1.357 -5.556 -3.101) 6.505 5.146 ( -6.234 -2.465 0.611) 6.731 5.307 ( -5.144 3.761 -0.864) 6.431 5.431 ( -3.454 -1.437 0.117) 3.743 5.530 ( -1.198 0.496 -0.912) 1.585 5.561 ( -2.691 -0.368 -0.243) 2.727 5.753 ( 5.318 -1.708 -0.641) 5.622 5.765 ( 6.222 -3.104 -1.960) 7.224 5.877 ( 12.143 1.840 2.252) 12.487 5.996 ( 11.044 -2.250 2.379) 11.519 6.212 ( -3.902 1.999 0.838) 4.464 6.253 ( -0.027 -0.433 0.328) 0.544 6.390 ( 3.592 2.565 -1.896) 4.804 6.440 ( 3.616 -0.932 0.110) 3.736 6.469 ( 8.146 1.828 -3.744) 9.149 6.515 ( 8.707 0.632 -1.293) 8.825 6.622 ( 7.899 2.336 -2.835) 8.712 6.720 ( 7.712 -1.000 -0.617) 7.801 6.885 ( 2.464 1.250 1.275) 3.043 6.967 ( 4.590 -2.922 0.180) 5.444 7.181 ( 5.833 5.630 0.695) 8.136 7.278 ( 6.206 1.265 -0.218) 6.337 7.824 ( 0.366 0.611 1.010) 1.236 7.897 ( 2.201 -1.037 0.992) 2.628 7.947 ( 8.045 3.547 -0.309) 8.798 8.023 ( 6.217 5.707 -1.140) 8.516 8.187 ( 3.654 -3.419 1.031) 5.109 8.302 ( 1.832 2.853 3.298) 4.730 8.325 ( 5.764 -5.679 0.205) 8.094 8.386 ( 17.432 -0.051 -0.264) 17.434 8.627 ( 10.197 7.444 0.328) 12.629 8.867 ( 7.723 0.116 -2.450) 8.103 9.019 ( 8.384 -2.958 -5.732) 10.578 9.248 ( 12.790 -10.572 -3.527) 16.965 9.547 ( 0.792 -1.038 1.907) 2.311 9.569 ( 3.542 0.419 -0.951) 3.692 10.162 ( -9.682 8.950 2.018) 13.339 10.443 ( -0.764 -1.190 -10.480) 10.575 10.711 ( 1.323 6.982 0.198) 7.109 10.834 ( -4.328 5.044 4.610) 8.089 10.980 ( -0.163 -4.517 2.137) 5.000 11.113 ( -4.980 -3.103 -0.779) 5.919 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 20.409 2.762 6.548) 21.611 1.386 ( 15.340 11.893 11.794) 22.712 1.632 ( 6.817 -15.199 -0.940) 16.685 1.948 ( 10.626 -6.157 3.412) 12.746 2.050 ( 19.197 1.384 7.654) 20.713 2.254 ( 3.969 0.791 -2.925) 4.994 2.321 ( 8.215 1.207 -4.469) 9.430 2.421 ( 2.408 -0.265 -3.560) 4.306 2.523 ( 10.619 1.608 -1.307) 10.819 2.554 ( 15.648 0.887 -1.041) 15.708 2.617 ( -0.404 0.167 -4.577) 4.597 2.758 ( 5.834 0.388 -2.451) 6.340 3.057 ( -6.567 4.131 2.258) 8.080 3.170 ( 6.348 3.048 6.337) 9.473 3.261 ( 1.464 2.551 -4.141) 5.079 3.483 ( -3.834 -2.151 4.040) 5.971 3.574 ( 3.788 0.783 -2.894) 4.831 3.714 ( -3.104 -2.031 0.733) 3.781 3.869 ( -2.175 -1.358 0.841) 2.699 3.980 ( -2.375 -4.217 5.603) 7.404 4.116 ( -6.028 -2.303 1.669) 6.665 4.139 ( -9.040 -0.101 -3.140) 9.570 4.305 ( -0.942 1.120 5.000) 5.210 4.382 ( -2.686 0.595 3.028) 4.091 4.509 ( -0.107 3.476 0.742) 3.556 4.606 ( 4.228 -1.009 1.052) 4.472 4.749 ( 0.258 3.750 -0.148) 3.762 4.765 ( 5.568 -2.478 3.964) 7.271 4.871 ( -0.260 -5.125 1.254) 5.282 4.984 ( -0.715 -1.398 -1.973) 2.522 5.114 ( 3.558 -1.390 0.697) 3.883 5.144 ( 3.648 -5.397 -0.427) 6.528 5.291 ( 3.166 1.866 -1.890) 4.133 5.392 ( 0.920 -1.847 -1.319) 2.449 5.497 ( -0.422 1.841 -1.317) 2.303 5.584 ( 3.472 0.481 0.049) 3.505 5.856 ( 4.585 -0.581 -0.566) 4.656 5.899 ( 6.548 -2.834 -2.273) 7.488 6.101 ( 6.205 1.085 1.032) 6.383 6.129 ( 5.390 0.195 2.678) 6.021 6.164 ( 0.943 2.596 0.970) 2.927 6.284 ( 3.124 -1.903 0.712) 3.727 6.459 ( 2.796 1.766 0.705) 3.381 6.530 ( 4.460 -1.854 1.036) 4.939 6.642 ( 6.660 1.663 -3.497) 7.704 6.713 ( 7.660 0.929 -3.900) 8.646 6.773 ( 7.221 2.607 -4.683) 8.993 6.912 ( 9.811 -2.797 -0.790) 10.233 7.012 ( 9.232 1.085 1.619) 9.435 7.121 ( 9.572 -2.910 -0.572) 10.021 7.324 ( 7.272 6.345 0.956) 9.699 7.414 ( 6.081 1.747 -0.149) 6.329 7.826 ( 0.112 0.641 1.862) 1.973 7.913 ( 0.821 -2.290 2.752) 3.673 8.142 ( 5.719 5.850 -0.532) 8.199 8.166 ( 7.032 1.099 -0.815) 7.164 8.253 ( 4.029 1.128 0.815) 4.263 8.360 ( 3.729 5.430 2.417) 7.017 8.482 ( 8.652 -0.826 -0.592) 8.712 8.779 ( 15.615 -6.230 0.006) 16.812 8.951 ( 15.010 2.648 -0.543) 15.252 9.116 ( 20.870 4.167 -4.393) 21.731 9.320 ( 19.237 -4.621 -2.305) 19.918 9.512 ( 12.642 -1.213 -5.223) 13.732 9.600 ( 5.931 -4.217 7.400) 10.379 9.698 ( 8.699 -0.831 -2.097) 8.986 10.108 ( 4.704 8.958 3.961) 10.866 10.487 ( 4.357 -5.151 -7.220) 9.882 10.767 ( 1.639 3.886 1.747) 4.565 10.810 ( 3.440 4.195 0.569) 5.455 10.997 ( 0.273 -5.584 -0.127) 5.592 11.085 ( 2.363 -2.953 -2.064) 4.308 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 15.211 0.821 4.584) 15.908 1.672 ( 11.579 8.667 9.202) 17.143 1.779 ( 6.449 -9.753 0.133) 11.693 2.071 ( 2.559 -4.768 1.608) 5.645 2.287 ( 1.629 -1.170 -0.428) 2.051 2.329 ( 5.887 -1.352 -3.024) 6.755 2.479 ( 3.483 -0.680 -1.612) 3.898 2.526 ( 3.530 0.407 -2.752) 4.494 2.648 ( 8.791 3.446 0.689) 9.467 2.706 ( 8.051 0.494 -0.197) 8.068 2.836 ( 9.707 3.321 -0.687) 10.283 2.901 ( -2.617 7.103 -0.457) 7.584 3.003 ( 7.529 -2.514 -1.260) 8.037 3.259 ( -1.500 -4.034 3.075) 5.290 3.316 ( 5.560 1.213 -1.091) 5.794 3.439 ( 0.579 -2.697 2.015) 3.416 3.648 ( -1.297 0.142 -2.595) 2.904 3.654 ( 2.209 3.061 0.900) 3.880 3.764 ( -5.920 -0.539 -2.526) 6.459 3.893 ( -4.596 -3.535 5.888) 8.264 3.928 ( -7.382 2.340 -4.669) 9.042 4.038 ( -2.323 -0.075 3.100) 3.875 4.203 ( -6.711 4.188 2.053) 8.173 4.370 ( 0.023 -1.546 8.781) 8.916 4.556 ( 3.266 2.314 1.124) 4.157 4.672 ( 1.511 3.122 1.538) 3.794 4.773 ( -1.387 -0.953 2.425) 2.952 4.860 ( 5.808 -1.463 2.528) 6.501 4.939 ( 4.530 -6.665 0.244) 8.063 5.017 ( 4.105 -7.359 0.028) 8.426 5.181 ( 3.442 -2.841 -0.504) 4.491 5.267 ( 6.780 -4.071 -0.628) 7.933 5.391 ( 5.395 0.427 -1.903) 5.737 5.451 ( 2.859 -1.793 -4.123) 5.328 5.521 ( 2.594 5.142 0.647) 5.795 5.660 ( 3.045 -0.436 1.247) 3.319 5.941 ( 3.564 0.652 -0.315) 3.637 6.020 ( 4.996 -2.838 -1.338) 5.899 6.147 ( 0.192 2.207 -0.681) 2.317 6.173 ( 2.617 1.865 -0.432) 3.243 6.322 ( 7.506 -0.643 2.991) 8.105 6.371 ( 5.068 -1.329 0.366) 5.252 6.519 ( 3.030 2.783 2.394) 4.760 6.613 ( 3.166 -2.186 1.891) 4.287 6.743 ( 3.449 2.404 -3.690) 5.593 6.834 ( 4.997 -1.140 -2.472) 5.691 6.892 ( 4.223 1.994 -4.569) 6.533 7.063 ( 4.861 -3.873 0.242) 6.220 7.209 ( 7.732 2.437 -3.367) 8.778 7.326 ( 9.331 -1.735 -0.435) 9.501 7.470 ( 6.231 5.050 0.983) 8.081 7.516 ( 3.704 2.681 -0.158) 4.575 7.837 ( 0.929 0.299 2.977) 3.133 7.940 ( 1.482 -3.085 4.346) 5.532 8.203 ( 1.601 3.504 -0.210) 3.858 8.270 ( 3.436 -0.569 0.508) 3.519 8.340 ( 3.304 5.912 0.643) 6.803 8.453 ( 4.397 6.012 0.113) 7.449 8.663 ( 8.195 1.964 -0.498) 8.442 8.983 ( 5.343 -7.755 -4.684) 10.518 9.219 ( 12.021 3.501 1.356) 12.594 9.496 ( 9.634 0.517 -1.836) 9.821 9.624 ( 5.836 -4.158 4.018) 8.215 9.794 ( 21.435 6.601 -0.446) 22.433 9.864 ( 9.393 -9.711 1.067) 13.553 9.982 ( 21.267 1.865 -2.897) 21.544 10.280 ( 9.365 4.695 1.970) 10.660 10.590 ( 5.111 -6.788 -2.379) 8.824 10.803 ( 3.089 0.460 1.587) 3.503 10.937 ( 6.415 3.506 -3.257) 8.003 10.995 ( 0.260 -3.378 -0.919) 3.510 11.148 ( 2.575 -0.793 -3.106) 4.112 ======================= Grid point 58 (29/96) ======================= q-point: ( 0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 4.253 -0.337 3.258) 5.368 1.853 ( 4.892 3.521 5.309) 8.032 1.884 ( 3.218 -4.842 3.219) 6.645 2.082 ( -0.722 -3.006 1.278) 3.345 2.280 ( -0.650 1.895 -0.291) 2.024 2.414 ( 1.266 -0.726 -4.205) 4.451 2.508 ( 1.236 0.152 1.311) 1.808 2.555 ( 0.993 -1.870 -2.297) 3.124 2.827 ( 1.443 6.192 1.253) 6.480 2.837 ( 4.360 -0.996 -1.636) 4.762 2.864 ( 2.615 3.542 -0.174) 4.406 2.954 ( 4.260 1.964 -2.137) 5.155 3.082 ( -1.660 -3.710 -0.855) 4.153 3.215 ( -1.732 -4.898 0.853) 5.265 3.406 ( 1.566 -1.238 -0.752) 2.134 3.427 ( -1.955 -3.195 -1.360) 3.985 3.615 ( -2.971 4.974 -1.159) 5.908 3.656 ( 2.064 -0.649 1.640) 2.715 3.765 ( 3.835 -0.761 -2.530) 4.657 3.816 ( -1.068 -0.915 -2.274) 2.674 3.890 ( 0.216 4.039 3.943) 5.648 4.021 ( -0.058 2.742 5.906) 6.511 4.111 ( -0.491 6.608 3.730) 7.604 4.345 ( -3.183 -2.380 10.322) 11.061 4.589 ( 0.235 4.944 -1.015) 5.053 4.714 ( -0.018 -2.056 1.150) 2.356 4.774 ( 4.341 -3.034 3.403) 6.295 4.863 ( -4.201 -4.618 3.068) 6.956 5.050 ( 4.646 -4.589 -0.444) 6.545 5.114 ( 3.041 -6.275 0.297) 6.979 5.251 ( 2.097 -3.116 0.420) 3.779 5.370 ( 2.482 -4.965 -2.540) 6.104 5.477 ( 0.313 -0.879 -4.046) 4.152 5.482 ( 3.482 -0.598 -2.020) 4.070 5.570 ( 0.955 5.374 1.563) 5.678 5.702 ( 0.983 -1.363 2.026) 2.632 5.996 ( 1.514 2.218 -0.182) 2.692 6.098 ( 2.372 -2.371 -0.857) 3.462 6.142 ( -0.751 2.902 -1.944) 3.572 6.208 ( 0.513 1.063 -1.316) 1.768 6.426 ( 2.669 0.518 1.097) 2.932 6.473 ( 3.412 -1.416 2.032) 4.216 6.575 ( 1.583 2.580 3.279) 4.463 6.648 ( -0.021 -2.054 2.460) 3.205 6.794 ( 1.877 2.486 -2.952) 4.291 6.909 ( 1.471 0.262 -2.300) 2.742 6.958 ( 2.995 -1.890 -3.268) 4.819 7.124 ( 1.229 -3.633 0.014) 3.835 7.312 ( 2.515 3.708 -3.237) 5.527 7.472 ( 4.189 -0.290 -0.807) 4.276 7.541 ( 0.674 4.900 -2.052) 5.355 7.588 ( 2.803 0.979 1.429) 3.295 7.865 ( 1.420 0.166 4.366) 4.594 7.966 ( 0.453 -2.915 5.659) 6.381 8.225 ( 0.510 3.343 -0.666) 3.447 8.316 ( 0.962 -0.812 0.681) 1.432 8.397 ( 2.086 7.290 1.479) 7.726 8.516 ( 1.545 5.408 -0.706) 5.668 8.787 ( 3.027 2.461 -1.376) 4.137 9.049 ( 1.662 -6.549 -5.607) 8.780 9.410 ( 5.595 3.251 2.438) 6.915 9.611 ( 2.573 2.094 -0.027) 3.318 9.684 ( 0.407 -1.844 3.512) 3.987 9.990 ( 3.600 -12.473 0.766) 13.005 10.165 ( 10.259 6.347 0.633) 12.081 10.315 ( 8.534 1.304 -2.484) 8.984 10.428 ( 3.929 2.906 1.427) 5.091 10.667 ( 1.734 -5.209 -0.493) 5.512 10.892 ( 4.193 -2.486 0.298) 4.883 10.951 ( -1.660 -4.551 -1.874) 5.194 11.094 ( 5.876 3.438 -2.844) 7.378 11.161 ( -1.480 1.725 -4.068) 4.660 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -6.213 0.435 1.079) 6.321 1.823 ( -7.795 4.609 6.694) 11.261 1.923 ( 0.421 -9.107 0.408) 9.125 2.077 ( -0.575 -5.342 4.663) 7.114 2.279 ( 0.398 5.580 -1.341) 5.752 2.408 ( -0.405 1.947 -2.164) 2.939 2.539 ( 0.471 -1.827 -1.455) 2.382 2.569 ( 0.799 -2.338 -0.504) 2.522 2.807 ( -4.630 4.365 -1.732) 6.595 2.854 ( -0.912 5.842 2.618) 6.466 2.868 ( -0.201 2.209 -2.456) 3.310 2.960 ( -8.802 -2.299 -0.540) 9.113 3.087 ( 4.148 -4.036 -1.148) 5.900 3.180 ( -1.613 -4.318 -0.001) 4.609 3.341 ( -3.662 -0.192 -3.969) 5.404 3.416 ( -2.627 -0.705 0.651) 2.796 3.580 ( 0.023 4.283 -2.132) 4.785 3.726 ( 3.827 0.627 3.753) 5.397 3.810 ( 0.191 -2.125 -3.152) 3.806 3.856 ( 4.351 -2.586 1.624) 5.316 3.887 ( 0.996 3.298 2.879) 4.490 4.048 ( 2.422 3.843 5.570) 7.187 4.185 ( 5.876 5.310 5.175) 9.461 4.263 ( -4.416 -0.786 8.332) 9.462 4.587 ( -0.471 4.132 -0.057) 4.159 4.698 ( -1.199 -2.830 0.948) 3.217 4.769 ( -3.720 -2.115 3.044) 5.251 4.885 ( 4.492 -3.912 4.059) 7.209 5.053 ( -3.897 -6.249 -0.964) 7.428 5.124 ( -2.448 -5.998 0.735) 6.520 5.243 ( -2.318 -4.039 0.290) 4.666 5.360 ( -3.257 -4.504 -3.059) 6.345 5.466 ( -1.522 1.757 -3.697) 4.367 5.533 ( 0.282 -0.059 -0.939) 0.982 5.550 ( -1.772 3.582 1.100) 4.145 5.697 ( -1.609 -1.958 2.087) 3.283 5.999 ( -1.160 2.372 -0.045) 2.641 6.096 ( -2.507 -0.862 -1.660) 3.128 6.126 ( -0.788 1.653 -1.716) 2.509 6.187 ( -2.385 0.813 -2.230) 3.364 6.440 ( -1.409 1.320 0.649) 2.038 6.488 ( -2.133 -0.955 3.187) 3.952 6.553 ( -3.570 2.024 2.528) 4.820 6.635 ( -1.104 -2.360 1.394) 2.956 6.816 ( 0.046 2.621 -1.417) 2.980 6.896 ( -2.176 3.804 -2.891) 5.250 7.004 ( 0.931 -5.661 -1.906) 6.045 7.121 ( -1.493 -4.187 -0.709) 4.502 7.309 ( -2.954 4.041 -2.239) 5.483 7.492 ( -1.884 0.835 -0.548) 2.133 7.520 ( -2.961 4.348 -1.628) 5.506 7.597 ( -2.125 0.108 1.159) 2.423 7.893 ( 0.976 -0.362 4.194) 4.321 7.964 ( -0.647 -2.114 6.392) 6.763 8.221 ( -0.769 3.160 -0.800) 3.349 8.309 ( -1.675 -0.740 0.366) 1.867 8.418 ( -0.226 7.231 2.954) 7.814 8.515 ( -1.618 5.195 -0.903) 5.516 8.779 ( -3.510 2.520 -1.765) 4.668 9.044 ( -2.177 -6.017 -5.409) 8.379 9.440 ( -2.935 3.867 3.807) 6.169 9.599 ( -4.138 1.248 0.244) 4.329 9.658 ( -2.623 -0.783 1.588) 3.164 10.009 ( -1.946 -12.595 0.949) 12.780 10.172 ( -9.477 5.324 1.037) 10.919 10.316 ( -8.249 1.220 -2.393) 8.675 10.428 ( -3.997 2.347 1.055) 4.753 10.644 ( -3.998 -4.872 -1.535) 6.486 10.871 ( -3.442 -2.103 -0.128) 4.036 10.984 ( 2.185 -3.497 -1.180) 4.290 11.081 ( -5.402 4.461 -3.864) 8.001 11.175 ( 1.438 -0.158 -2.393) 2.796 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -12.447 3.089 0.759) 12.847 1.590 ( -14.167 6.800 8.604) 17.915 1.885 ( -3.942 -12.399 -1.745) 13.127 2.030 ( -4.145 -11.408 7.543) 14.291 2.277 ( -1.455 4.100 -2.169) 4.862 2.392 ( -4.850 1.435 -0.651) 5.100 2.473 ( -5.302 2.664 -2.056) 6.280 2.589 ( -0.642 -1.411 -0.635) 1.675 2.653 ( -12.326 3.154 0.991) 12.761 2.676 ( -9.654 3.777 -0.626) 10.385 2.819 ( -3.160 2.909 -2.529) 4.984 2.923 ( 2.875 3.853 0.923) 4.895 3.029 ( -8.994 -2.142 -1.052) 9.305 3.126 ( -5.438 0.173 -2.177) 5.860 3.258 ( -2.565 -0.872 -2.045) 3.394 3.383 ( 0.267 -4.574 0.714) 4.637 3.593 ( 0.806 3.825 -2.338) 4.554 3.790 ( 2.275 -0.175 2.999) 3.768 3.851 ( 3.579 -1.569 0.986) 4.030 3.947 ( 5.169 -0.005 2.402) 5.700 3.980 ( 6.522 -2.920 3.245) 7.848 4.121 ( 4.284 1.066 4.874) 6.576 4.188 ( -2.315 3.095 3.114) 4.964 4.311 ( 4.492 0.153 3.517) 5.707 4.568 ( -0.984 3.099 1.663) 3.652 4.653 ( -2.143 0.281 2.983) 3.683 4.754 ( 1.244 0.351 1.167) 1.741 4.875 ( -5.917 -2.461 3.006) 7.079 4.976 ( -5.135 -6.126 2.309) 8.320 5.040 ( -1.156 -8.500 0.306) 8.584 5.186 ( -3.103 -3.087 -0.189) 4.380 5.240 ( -7.619 -2.983 -2.442) 8.539 5.389 ( -5.709 3.734 -3.383) 7.615 5.460 ( -4.384 3.424 1.177) 5.685 5.548 ( -0.439 -0.983 -1.479) 1.829 5.645 ( -3.113 -1.798 1.564) 3.920 5.959 ( -2.420 0.965 0.271) 2.620 6.023 ( -4.323 -1.563 -1.390) 4.802 6.089 ( -2.375 1.637 -2.301) 3.690 6.116 ( -4.084 1.371 -2.674) 5.071 6.366 ( -5.323 0.748 0.455) 5.395 6.381 ( -7.792 0.109 5.150) 9.341 6.491 ( -2.120 1.313 0.090) 2.496 6.593 ( -2.956 -2.771 0.389) 4.070 6.788 ( -2.812 3.146 -0.342) 4.233 6.818 ( -5.297 4.201 -3.362) 7.551 6.970 ( -4.880 -4.853 -2.983) 7.501 7.056 ( -4.690 -5.724 -2.117) 7.697 7.181 ( -8.918 4.328 -0.009) 9.913 7.390 ( -9.141 1.009 0.256) 9.200 7.418 ( -4.806 2.260 -0.888) 5.385 7.524 ( -4.438 1.644 0.060) 4.733 7.907 ( 0.136 -0.808 4.114) 4.195 7.956 ( -0.372 -1.555 6.465) 6.660 8.198 ( -1.321 2.651 -0.432) 2.993 8.248 ( -4.039 -0.615 -0.387) 4.104 8.393 ( -2.233 6.308 4.657) 8.153 8.447 ( -4.836 6.410 -0.526) 8.047 8.658 ( -7.414 1.980 -0.683) 7.704 8.944 ( -7.367 -6.440 -5.461) 11.206 9.299 ( -10.492 3.757 4.999) 12.214 9.443 ( -10.817 2.258 -3.594) 11.620 9.570 ( -6.518 -2.732 -0.244) 7.071 9.786 ( -23.203 3.729 1.019) 23.523 9.929 ( -9.645 -8.596 -0.020) 12.920 10.006 ( -18.432 1.162 0.208) 18.470 10.287 ( -8.402 2.404 1.466) 8.862 10.523 ( -6.226 -5.549 -5.032) 9.741 10.802 ( -3.038 0.911 1.452) 3.488 10.938 ( -6.816 4.769 -2.947) 8.826 11.016 ( 0.228 -3.596 -1.380) 3.858 11.155 ( -2.938 -2.287 -1.414) 3.982 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -16.760 7.018 2.615) 18.357 1.275 ( -15.906 10.427 12.236) 22.615 1.767 ( -7.186 -15.831 -2.557) 17.573 1.888 ( -15.682 -7.230 8.832) 19.396 1.985 ( -19.611 0.091 4.676) 20.161 2.227 ( -5.866 -0.789 -3.599) 6.928 2.411 ( -10.853 1.628 -6.340) 12.674 2.461 ( -6.071 2.331 0.293) 6.510 2.485 ( -3.789 2.879 2.536) 5.392 2.507 ( -6.033 2.956 -2.975) 7.348 2.784 ( -8.596 0.234 -2.378) 8.922 2.806 ( -0.615 -0.271 -0.100) 0.679 2.995 ( 1.637 4.233 -1.260) 4.710 3.016 ( -0.248 5.850 -0.760) 5.904 3.253 ( 0.441 -4.397 -0.636) 4.465 3.397 ( 0.712 -5.138 0.710) 5.235 3.598 ( -0.536 3.232 -1.328) 3.535 3.840 ( 1.241 -2.430 2.968) 4.032 3.900 ( 0.951 -1.178 2.877) 3.251 4.027 ( 0.752 1.599 2.483) 3.048 4.120 ( 6.339 -1.476 3.609) 7.442 4.161 ( -0.060 -4.442 3.373) 5.578 4.232 ( 4.494 2.326 2.366) 5.586 4.348 ( 0.062 -1.284 0.464) 1.366 4.572 ( 1.348 1.234 2.228) 2.882 4.624 ( -1.103 0.392 2.653) 2.900 4.752 ( -2.745 1.929 0.630) 3.414 4.799 ( -0.733 -2.059 1.934) 2.918 4.870 ( -1.156 -2.142 3.754) 4.474 5.059 ( -6.915 -0.146 -2.821) 7.470 5.070 ( 2.034 -4.395 1.824) 5.174 5.144 ( -1.437 -5.228 -0.754) 5.474 5.260 ( -4.888 4.655 -3.908) 7.799 5.404 ( -0.383 0.420 1.664) 1.758 5.533 ( -0.748 -0.919 -2.158) 2.462 5.584 ( -2.146 -0.723 1.292) 2.607 5.904 ( -3.086 -0.507 0.777) 3.223 5.915 ( -6.056 -1.180 -0.813) 6.223 6.023 ( -4.646 2.098 -1.994) 5.474 6.039 ( -3.058 0.999 -2.180) 3.886 6.204 ( -7.639 0.785 4.326) 8.813 6.256 ( -4.745 -0.971 -0.149) 4.846 6.451 ( -1.934 0.976 -0.879) 2.338 6.519 ( -4.056 -1.963 0.021) 4.507 6.661 ( -10.043 2.742 -5.222) 11.647 6.688 ( -7.283 1.598 -0.940) 7.516 6.798 ( -9.400 -1.130 -4.153) 10.338 6.919 ( -8.603 -3.716 -2.010) 9.584 7.003 ( -6.847 2.409 4.007) 8.291 7.181 ( -10.118 -0.222 -0.075) 10.121 7.302 ( -6.105 2.547 -0.516) 6.635 7.416 ( -5.840 1.470 -0.204) 6.026 7.899 ( -1.245 -0.891 3.441) 3.766 7.946 ( -1.082 -1.480 5.354) 5.659 8.138 ( -6.241 1.289 -1.165) 6.479 8.171 ( -2.031 1.207 0.166) 2.368 8.322 ( -6.686 8.868 -0.170) 11.107 8.330 ( -4.235 3.537 6.925) 8.854 8.501 ( -7.120 -0.706 1.169) 7.250 8.731 ( -12.637 -5.970 -3.130) 14.323 9.030 ( -14.777 1.504 -0.756) 14.872 9.111 ( -22.092 5.177 -2.868) 22.871 9.264 ( -20.702 5.070 -5.675) 22.056 9.346 ( -16.678 -4.811 -1.319) 17.408 9.646 ( -9.120 4.010 -0.668) 9.985 9.768 ( -8.493 -7.271 3.825) 11.816 10.141 ( -4.285 3.633 4.009) 6.902 10.427 ( -2.325 -4.763 -10.190) 11.486 10.756 ( -1.491 3.633 2.408) 4.607 10.806 ( -4.678 4.670 -0.439) 6.625 11.019 ( 0.073 -5.045 -0.313) 5.055 11.082 ( -2.918 -3.363 -0.694) 4.506 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -18.001 11.156 6.914) 22.278 0.945 ( -17.204 15.031 11.866) 25.743 1.403 ( -18.194 20.805 17.699) 32.819 1.597 ( -8.230 -18.513 -0.225) 20.261 1.764 ( -8.325 -16.436 2.695) 18.620 2.085 ( -7.433 -3.073 -4.234) 9.090 2.167 ( -10.069 0.497 -6.400) 11.941 2.252 ( -7.189 -1.131 1.943) 7.532 2.407 ( -3.093 4.068 -3.726) 6.325 2.508 ( 0.906 -3.809 -0.086) 3.916 2.675 ( -0.417 4.962 -2.558) 5.598 2.845 ( 2.063 -1.022 -0.868) 2.461 3.001 ( 1.398 4.836 4.214) 6.565 3.122 ( 6.597 5.419 -3.539) 9.242 3.257 ( 0.602 -1.609 -1.631) 2.369 3.403 ( -0.550 -5.182 1.602) 5.452 3.557 ( -2.906 4.992 -0.269) 5.782 3.787 ( -5.365 -2.952 4.291) 7.478 3.926 ( 1.097 -3.240 2.519) 4.248 4.008 ( -2.716 1.389 4.624) 5.539 4.131 ( -1.189 -5.505 1.283) 5.776 4.220 ( 2.790 -2.211 3.644) 5.095 4.295 ( 1.644 -0.460 1.917) 2.567 4.372 ( 1.731 -0.053 4.135) 4.483 4.589 ( -1.549 0.482 1.916) 2.511 4.657 ( 6.470 -0.417 1.396) 6.632 4.711 ( -0.068 4.837 0.337) 4.849 4.807 ( 1.041 2.134 -2.553) 3.486 4.876 ( -1.039 -1.778 2.925) 3.577 4.951 ( -1.379 1.234 -1.877) 2.636 5.133 ( 0.133 -6.839 -0.519) 6.860 5.167 ( 6.270 -3.745 0.795) 7.346 5.260 ( 4.626 4.637 -1.966) 6.839 5.438 ( 3.162 -1.089 0.333) 3.361 5.508 ( -1.022 1.404 -1.114) 2.063 5.593 ( 2.487 -1.941 -0.786) 3.251 5.760 ( -8.882 1.477 -0.048) 9.004 5.824 ( -4.791 0.101 0.070) 4.792 5.889 ( -9.406 -1.354 -1.021) 9.558 5.891 ( -10.363 -1.657 2.907) 10.890 6.163 ( 2.690 1.181 -0.346) 2.958 6.209 ( 1.091 -1.001 -1.030) 1.804 6.409 ( -2.067 2.011 -3.830) 4.794 6.431 ( -4.226 -0.794 -0.605) 4.343 6.440 ( -7.026 1.981 -3.398) 8.052 6.527 ( -6.550 -1.032 -1.268) 6.751 6.633 ( -7.385 2.510 -2.280) 8.127 6.725 ( -9.215 -0.091 0.712) 9.243 6.898 ( -3.393 0.392 2.653) 4.324 7.006 ( -5.922 -0.335 -0.553) 5.957 7.186 ( -4.441 1.124 0.547) 4.613 7.297 ( -5.179 -0.004 -0.434) 5.197 7.854 ( -3.177 -0.848 1.358) 3.557 7.899 ( -4.182 -1.620 1.095) 4.616 7.988 ( -6.480 2.412 1.205) 7.019 8.102 ( -5.504 1.010 -0.783) 5.650 8.192 ( -4.481 3.625 1.177) 5.882 8.247 ( -3.281 1.302 6.081) 7.032 8.356 ( -7.834 -3.226 2.883) 8.949 8.450 ( -13.051 -2.633 1.719) 13.425 8.662 ( -15.501 8.060 -0.771) 17.488 8.796 ( -5.621 3.556 -8.598) 10.870 8.941 ( -8.185 4.942 -4.455) 10.548 9.062 ( -9.417 -3.315 -5.218) 11.265 9.543 ( -2.439 2.869 -0.000) 3.766 9.632 ( -4.738 -4.215 2.394) 6.778 10.174 ( 7.575 4.420 1.694) 8.932 10.418 ( 2.435 -1.896 -11.980) 12.371 10.714 ( -0.990 6.814 0.728) 6.924 10.819 ( 5.700 6.868 4.886) 10.176 10.997 ( -1.016 -5.018 2.736) 5.805 11.104 ( 5.052 -2.882 -0.606) 5.848 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.028 -25.900 -0.142) 25.900 1.019 ( -0.028 25.900 -0.142) 25.900 1.158 ( -2.759 -21.144 4.865) 21.871 1.158 ( -2.759 21.144 4.865) 21.871 1.854 ( 3.995 -19.262 10.399) 22.252 1.854 ( 3.995 19.262 10.399) 22.252 2.060 ( -0.232 -2.128 -1.079) 2.397 2.060 ( -0.232 2.128 -1.079) 2.397 2.397 ( -2.097 -1.764 -7.380) 7.872 2.397 ( -2.097 1.764 -7.380) 7.872 2.792 ( -2.236 -4.256 -1.284) 4.977 2.792 ( -2.236 4.256 -1.284) 4.977 3.164 ( 1.401 -7.786 3.936) 8.836 3.164 ( 1.401 7.786 3.936) 8.836 3.385 ( 2.956 -4.857 -3.140) 6.496 3.385 ( 2.956 4.857 -3.140) 6.496 3.670 ( -0.277 -5.002 0.868) 5.084 3.670 ( -0.277 5.002 0.868) 5.084 3.803 ( -2.616 -4.278 5.679) 7.576 3.803 ( -2.616 4.278 5.679) 7.576 4.162 ( 0.729 -2.306 2.270) 3.316 4.162 ( 0.729 2.306 2.270) 3.316 4.400 ( 0.782 -1.747 4.489) 4.880 4.400 ( 0.782 1.747 4.489) 4.880 4.609 ( -1.435 -5.158 0.833) 5.418 4.609 ( -1.435 5.158 0.833) 5.418 4.815 ( -1.202 -3.427 -1.614) 3.974 4.815 ( -1.202 3.427 -1.614) 3.974 4.983 ( -0.649 -5.339 -2.036) 5.751 4.983 ( -0.649 5.339 -2.036) 5.751 5.086 ( 1.492 -7.189 2.373) 7.716 5.086 ( 1.492 7.189 2.373) 7.716 5.486 ( 6.271 -2.696 -0.271) 6.831 5.486 ( 6.271 2.696 -0.271) 6.831 5.571 ( -5.518 -2.360 -0.433) 6.017 5.571 ( -5.518 2.360 -0.433) 6.017 5.636 ( -1.312 -1.010 0.571) 1.752 5.636 ( -1.312 1.010 0.571) 1.752 5.736 ( 1.438 -1.303 0.517) 2.008 5.736 ( 1.438 1.303 0.517) 2.008 6.256 ( 2.368 -0.858 -0.864) 2.662 6.256 ( 2.368 0.858 -0.864) 2.662 6.387 ( 0.753 -0.338 -0.411) 0.922 6.387 ( 0.753 0.338 -0.411) 0.922 6.442 ( -1.356 -0.921 -2.390) 2.898 6.442 ( -1.356 0.921 -2.390) 2.898 6.564 ( -0.103 -2.368 -0.497) 2.422 6.564 ( -0.103 2.368 -0.497) 2.422 6.906 ( -0.816 -1.654 1.513) 2.386 6.906 ( -0.816 1.654 1.513) 2.386 7.194 ( 0.295 -2.406 -0.658) 2.512 7.194 ( 0.295 2.406 -0.658) 2.512 7.825 ( 0.632 -1.309 -0.481) 1.531 7.825 ( 0.632 1.309 -0.481) 1.531 7.958 ( -1.120 -3.940 -0.164) 4.100 7.958 ( -1.120 3.940 -0.164) 4.100 8.141 ( -2.336 -2.005 2.897) 4.227 8.141 ( -2.336 2.005 2.897) 4.227 8.280 ( 0.165 -2.020 0.686) 2.140 8.280 ( 0.165 2.020 0.686) 2.140 8.736 ( -0.155 -7.765 -5.063) 9.272 8.736 ( -0.155 7.765 -5.063) 9.272 8.895 ( 1.988 -2.639 0.974) 3.445 8.895 ( 1.988 2.639 0.974) 3.445 9.547 ( -0.677 -0.220 -0.731) 1.020 9.547 ( -0.677 0.220 -0.731) 1.020 10.359 ( 1.061 -5.918 -12.014) 13.434 10.359 ( 1.061 5.918 -12.014) 13.434 10.847 ( -0.532 -5.593 2.123) 6.006 10.847 ( -0.532 5.593 2.123) 6.006 11.166 ( -0.027 -4.262 -0.337) 4.275 11.166 ( -0.027 4.262 -0.337) 4.275 ======================= Grid point 65 (35/96) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 5.621 -23.459 -0.997) 24.144 1.058 ( 5.621 23.459 -0.997) 24.144 1.345 ( 16.269 -16.165 8.741) 24.544 1.345 ( 16.269 16.165 8.741) 24.544 1.995 ( 8.580 -15.617 7.824) 19.461 1.995 ( 8.580 15.617 7.824) 19.461 2.195 ( 12.275 -1.906 -2.246) 12.623 2.195 ( 12.275 1.906 -2.246) 12.623 2.370 ( 0.452 -1.833 -8.387) 8.597 2.370 ( 0.452 1.833 -8.387) 8.597 2.714 ( -3.468 -4.188 -1.604) 5.669 2.714 ( -3.468 4.188 -1.604) 5.669 3.186 ( 0.360 -4.809 4.665) 6.710 3.186 ( 0.360 4.809 4.665) 6.710 3.384 ( -1.984 -7.603 -1.904) 8.085 3.384 ( -1.984 7.603 -1.904) 8.085 3.654 ( -0.711 -8.972 1.253) 9.087 3.654 ( -0.711 8.972 1.253) 9.087 3.844 ( 4.256 -6.857 3.900) 8.964 3.844 ( 4.256 6.857 3.900) 8.964 4.183 ( -0.195 -1.550 3.016) 3.396 4.183 ( -0.195 1.550 3.016) 3.396 4.389 ( -1.613 -2.792 3.056) 4.443 4.389 ( -1.613 2.792 3.056) 4.443 4.569 ( -1.572 -1.879 1.245) 2.748 4.569 ( -1.572 1.879 1.245) 2.748 4.759 ( -2.623 -4.643 -0.216) 5.337 4.759 ( -2.622 4.643 -0.216) 5.337 4.932 ( -2.056 -7.065 -1.348) 7.480 4.932 ( -2.056 7.065 -1.348) 7.480 5.076 ( -1.372 -3.493 1.204) 3.941 5.076 ( -1.372 3.493 1.204) 3.941 5.388 ( -6.584 -3.018 -2.463) 7.650 5.388 ( -6.584 3.018 -2.463) 7.650 5.545 ( -0.786 -1.157 -0.016) 1.398 5.545 ( -0.786 1.157 -0.016) 1.399 5.729 ( 6.604 -0.126 -1.410) 6.754 5.729 ( 6.604 0.126 -1.410) 6.754 5.934 ( 11.975 -3.016 2.687) 12.638 5.934 ( 11.975 3.016 2.687) 12.638 6.244 ( -2.528 -0.778 0.569) 2.705 6.244 ( -2.528 0.778 0.569) 2.705 6.418 ( 2.977 -0.906 0.186) 3.117 6.418 ( 2.977 0.906 0.186) 3.117 6.512 ( 8.597 -1.289 -3.205) 9.265 6.512 ( 8.597 1.289 -3.205) 9.265 6.678 ( 7.927 -2.530 -1.333) 8.427 6.678 ( 7.927 2.530 -1.333) 8.427 6.920 ( 3.014 -1.621 1.048) 3.578 6.920 ( 3.014 1.621 1.048) 3.578 7.274 ( 6.533 -2.143 -0.102) 6.876 7.274 ( 6.533 2.143 -0.102) 6.876 7.856 ( 0.768 -2.022 1.597) 2.689 7.856 ( 0.768 2.022 1.597) 2.689 8.047 ( 8.676 -4.682 -0.505) 9.871 8.047 ( 8.676 4.682 -0.505) 9.871 8.191 ( 5.701 -5.460 0.054) 7.894 8.191 ( 5.701 5.460 0.054) 7.895 8.369 ( 8.663 -2.036 0.753) 8.931 8.369 ( 8.663 2.036 0.753) 8.931 8.816 ( 8.691 -7.061 -5.542) 12.494 8.816 ( 8.691 7.061 -5.542) 12.494 9.021 ( 10.061 -6.331 2.263) 12.101 9.021 ( 10.061 6.331 2.263) 12.101 9.565 ( 2.614 -1.354 -1.147) 3.159 9.565 ( 2.614 1.354 -1.147) 3.159 10.336 ( -2.371 -7.137 -8.209) 11.133 10.336 ( -2.371 7.137 -8.209) 11.133 10.856 ( 1.235 -5.832 1.802) 6.228 10.856 ( 1.235 5.832 1.802) 6.228 10.997 ( -8.782 -7.154 1.406) 11.414 10.997 ( -8.782 7.154 1.406) 11.414 ======================= Grid point 67 (36/96) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 13.768 -14.942 0.894) 20.338 1.274 ( 13.768 14.942 0.894) 20.338 1.670 ( 12.869 -13.711 9.308) 20.982 1.670 ( 12.869 13.711 9.308) 20.982 2.205 ( 9.509 -6.215 -1.966) 11.529 2.205 ( 9.509 6.215 -1.966) 11.529 2.373 ( 4.929 -3.232 -3.063) 6.642 2.373 ( 4.929 3.232 -3.063) 6.642 2.528 ( 12.418 -0.989 -3.494) 12.938 2.528 ( 12.418 0.989 -3.494) 12.938 2.710 ( 4.944 -4.509 -0.714) 6.730 2.710 ( 4.944 4.509 -0.714) 6.730 3.174 ( -1.854 -4.122 3.554) 5.750 3.174 ( -1.854 4.122 3.554) 5.750 3.351 ( -0.747 -6.021 -0.075) 6.068 3.351 ( -0.747 6.021 -0.075) 6.068 3.653 ( 0.521 -3.562 -0.554) 3.642 3.653 ( 0.521 3.562 -0.554) 3.642 3.890 ( -0.820 -3.539 3.715) 5.197 3.890 ( -0.820 3.539 3.715) 5.197 4.108 ( -6.590 -1.546 1.238) 6.881 4.108 ( -6.590 1.546 1.238) 6.881 4.337 ( -3.071 -2.628 2.473) 4.738 4.337 ( -3.071 2.628 2.473) 4.738 4.613 ( 5.332 -1.500 3.344) 6.470 4.613 ( 5.332 1.500 3.344) 6.470 4.731 ( 0.380 -4.467 0.144) 4.486 4.731 ( 0.380 4.467 0.144) 4.486 4.892 ( -2.352 -7.215 -0.330) 7.596 4.892 ( -2.352 7.215 -0.330) 7.596 5.085 ( 2.820 -1.317 0.490) 3.151 5.085 ( 2.820 1.317 0.490) 3.151 5.339 ( 1.788 -2.436 -3.011) 4.266 5.339 ( 1.788 2.436 -3.011) 4.266 5.557 ( 2.324 -2.654 -0.437) 3.554 5.557 ( 2.324 2.654 -0.437) 3.555 5.857 ( 5.811 -0.926 -1.056) 5.979 5.857 ( 5.811 0.926 -1.056) 5.979 6.123 ( 5.760 -0.797 1.502) 6.006 6.123 ( 5.760 0.797 1.502) 6.006 6.228 ( 2.096 -2.940 0.814) 3.701 6.228 ( 2.096 2.940 0.814) 3.701 6.494 ( 3.832 -1.479 1.380) 4.333 6.494 ( 3.832 1.479 1.380) 4.333 6.693 ( 7.129 -2.262 -5.394) 9.221 6.693 ( 7.129 2.262 -5.394) 9.221 6.841 ( 7.393 -3.273 -0.225) 8.088 6.841 ( 7.393 3.273 -0.225) 8.088 7.060 ( 10.011 -2.614 0.383) 10.353 7.060 ( 10.011 2.614 0.383) 10.353 7.421 ( 6.876 -1.840 -0.221) 7.122 7.421 ( 6.876 1.840 -0.221) 7.122 7.861 ( 0.101 -2.278 3.118) 3.862 7.861 ( 0.101 2.278 3.118) 3.862 8.187 ( 4.061 -0.734 -0.087) 4.128 8.187 ( 4.061 0.734 -0.087) 4.128 8.348 ( 8.024 -5.327 -0.255) 9.635 8.348 ( 8.024 5.327 -0.255) 9.635 8.595 ( 11.075 -9.150 -1.036) 14.403 8.595 ( 11.075 9.150 -1.036) 14.403 9.086 ( 15.357 -7.247 -3.012) 17.246 9.086 ( 15.357 7.247 -3.012) 17.246 9.332 ( 19.973 -7.243 1.141) 21.276 9.332 ( 19.973 7.243 1.141) 21.276 9.662 ( 7.113 -3.507 -0.746) 7.965 9.662 ( 7.113 3.507 -0.746) 7.965 10.316 ( 2.051 -9.535 -2.026) 9.961 10.316 ( 2.051 9.535 -2.026) 9.961 10.855 ( -0.794 -4.927 1.034) 5.097 10.855 ( -0.794 4.927 1.034) 5.097 10.973 ( 4.523 -6.462 -1.310) 7.996 10.973 ( 4.523 6.462 -1.310) 7.996 ======================= Grid point 69 (37/96) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 11.779 -8.722 1.456) 14.729 1.556 ( 11.779 8.722 1.456) 14.729 1.882 ( 7.453 -10.034 8.130) 14.910 1.882 ( 7.453 10.034 8.130) 14.910 2.310 ( 2.558 -1.420 -6.696) 7.307 2.310 ( 2.558 1.420 -6.696) 7.307 2.501 ( 4.287 -2.368 -0.913) 4.982 2.501 ( 4.287 2.368 -0.913) 4.982 2.690 ( 6.383 -1.318 -1.601) 6.712 2.690 ( 6.383 1.318 -1.601) 6.712 2.918 ( 10.048 -3.603 -0.884) 10.711 2.918 ( 10.048 3.603 -0.884) 10.711 3.126 ( -2.670 -9.435 3.046) 10.267 3.126 ( -2.670 9.435 3.046) 10.267 3.344 ( 0.397 -2.533 0.111) 2.567 3.344 ( 0.397 2.533 0.111) 2.567 3.675 ( 0.893 -1.843 -1.837) 2.751 3.675 ( 0.893 1.844 -1.837) 2.751 3.820 ( -4.691 -4.139 0.722) 6.297 3.820 ( -4.691 4.139 0.722) 6.297 3.997 ( -2.167 -3.469 2.703) 4.903 3.997 ( -2.167 3.469 2.703) 4.903 4.290 ( -1.628 -4.814 4.303) 6.658 4.290 ( -1.628 4.814 4.303) 6.658 4.658 ( -0.347 -7.028 2.116) 7.348 4.658 ( -0.347 7.028 2.116) 7.348 4.816 ( -0.532 -6.262 -0.391) 6.297 4.816 ( -0.532 6.262 -0.391) 6.297 4.869 ( 6.510 -1.216 3.109) 7.316 4.869 ( 6.510 1.216 3.109) 7.316 5.175 ( 4.957 -2.804 -0.151) 5.697 5.175 ( 4.957 2.804 -0.151) 5.697 5.410 ( 3.874 -1.372 -3.879) 5.651 5.410 ( 3.874 1.372 -3.879) 5.651 5.619 ( 2.918 -3.260 1.224) 4.543 5.619 ( 2.918 3.260 1.224) 4.543 5.969 ( 4.909 -1.795 -0.598) 5.261 5.969 ( 4.909 1.795 -0.598) 5.261 6.186 ( 1.515 -0.803 -0.700) 1.852 6.186 ( 1.515 0.803 -0.700) 1.852 6.333 ( 6.344 -1.640 1.200) 6.661 6.333 ( 6.344 1.640 1.200) 6.661 6.570 ( 3.223 -1.898 2.757) 4.647 6.570 ( 3.223 1.898 2.757) 4.647 6.796 ( 3.482 -2.158 -5.501) 6.858 6.796 ( 3.482 2.158 -5.501) 6.858 6.967 ( 4.490 -4.469 0.080) 6.335 6.967 ( 4.490 4.469 0.080) 6.335 7.274 ( 9.247 -2.850 -1.238) 9.755 7.274 ( 9.247 2.850 -1.238) 9.755 7.543 ( 4.664 -0.866 -0.857) 4.821 7.543 ( 4.664 0.866 -0.857) 4.821 7.874 ( 0.968 -2.717 5.411) 6.131 7.874 ( 0.968 2.717 5.411) 6.131 8.250 ( 2.422 -1.387 -0.361) 2.815 8.250 ( 2.422 1.387 -0.361) 2.815 8.480 ( 4.660 -4.061 -0.386) 6.193 8.480 ( 4.660 4.061 -0.386) 6.193 8.787 ( 7.390 -8.698 -3.308) 11.884 8.787 ( 7.390 8.698 -3.308) 11.884 9.367 ( 11.258 -9.088 1.303) 14.527 9.367 ( 11.258 9.088 1.303) 14.527 9.666 ( 7.456 -6.411 0.967) 9.881 9.666 ( 7.456 6.411 0.967) 9.881 9.949 ( 20.932 -5.105 -0.801) 21.561 9.949 ( 20.932 5.105 -0.801) 21.561 10.419 ( 6.685 -7.772 0.012) 10.251 10.419 ( 6.685 7.772 0.012) 10.251 10.855 ( 0.459 -4.463 0.065) 4.487 10.855 ( 0.459 4.463 0.065) 4.487 11.083 ( 5.251 -4.881 -3.347) 7.912 11.083 ( 5.251 4.881 -3.347) 7.912 ======================= Grid point 71 (38/96) ======================= q-point: ( 0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 3.726 -5.900 1.119) 7.067 1.721 ( 3.726 5.900 1.119) 7.067 1.979 ( 1.345 -5.454 5.484) 7.851 1.979 ( 1.345 5.454 5.484) 7.851 2.363 ( 3.024 -4.119 -3.951) 6.459 2.363 ( 3.024 4.119 -3.951) 6.459 2.526 ( -0.645 -1.162 -0.935) 1.625 2.526 ( -0.645 1.162 -0.935) 1.625 2.819 ( 5.591 -0.667 -2.068) 5.998 2.819 ( 5.591 0.667 -2.068) 5.998 3.009 ( -1.613 -2.482 -0.422) 2.989 3.009 ( -1.613 2.482 -0.422) 2.989 3.077 ( -1.232 -8.653 1.001) 8.797 3.077 ( -1.232 8.653 1.001) 8.797 3.377 ( 1.680 -0.436 0.666) 1.859 3.377 ( 1.680 0.436 0.666) 1.859 3.667 ( -0.150 -1.670 0.484) 1.745 3.667 ( -0.150 1.670 0.484) 1.745 3.772 ( -0.249 -3.101 -3.007) 4.327 3.772 ( -0.249 3.101 -3.007) 4.327 4.011 ( 1.776 -4.208 5.637) 7.255 4.011 ( 1.776 4.208 5.637) 7.255 4.263 ( -1.157 -5.913 4.547) 7.548 4.263 ( -1.157 5.913 4.547) 7.548 4.666 ( 1.171 -3.479 1.488) 3.961 4.666 ( 1.171 3.479 1.488) 3.961 4.758 ( -2.734 -4.837 1.248) 5.695 4.758 ( -2.734 4.837 1.248) 5.695 5.016 ( 4.345 -1.894 1.972) 5.134 5.016 ( 4.345 1.894 1.972) 5.134 5.251 ( 1.644 -3.900 -0.068) 4.233 5.251 ( 1.644 3.900 -0.068) 4.233 5.471 ( 2.261 -0.333 -3.833) 4.463 5.471 ( 2.261 0.333 -3.833) 4.463 5.660 ( 0.680 -2.761 2.081) 3.524 5.660 ( 0.680 2.761 2.081) 3.524 6.047 ( 2.222 -2.256 -0.605) 3.224 6.047 ( 2.222 2.256 -0.605) 3.224 6.201 ( -0.042 -1.763 -1.810) 2.527 6.201 ( -0.042 1.763 -1.810) 2.527 6.443 ( 3.541 -1.180 1.202) 3.922 6.443 ( 3.541 1.180 1.202) 3.922 6.617 ( 0.705 -1.270 3.416) 3.712 6.617 ( 0.705 1.270 3.416) 3.712 6.848 ( 2.062 -2.810 -3.732) 5.106 6.848 ( 2.062 2.810 -3.732) 5.106 7.025 ( 1.118 -4.837 -0.927) 5.050 7.025 ( 1.118 4.837 -0.927) 5.050 7.412 ( 3.754 -4.454 -1.467) 6.007 7.412 ( 3.754 4.454 -1.467) 6.007 7.607 ( 1.493 -0.558 -1.518) 2.201 7.607 ( 1.493 0.558 -1.518) 2.201 7.900 ( 0.944 -2.682 7.361) 7.891 7.900 ( 0.944 2.682 7.361) 7.891 8.286 ( 0.852 -2.197 -1.077) 2.591 8.286 ( 0.852 2.197 -1.077) 2.591 8.544 ( 1.682 -3.817 -0.590) 4.213 8.544 ( 1.682 3.817 -0.590) 4.213 8.893 ( 2.787 -6.735 -3.773) 8.207 8.893 ( 2.787 6.735 -3.773) 8.207 9.542 ( 5.142 -7.382 2.355) 9.300 9.542 ( 5.142 7.382 2.355) 9.300 9.739 ( 0.892 -7.277 1.732) 7.533 9.739 ( 0.892 7.277 1.732) 7.533 10.296 ( 9.222 -3.895 -0.502) 10.023 10.296 ( 9.222 3.895 -0.502) 10.023 10.535 ( 3.365 -6.190 0.097) 7.046 10.535 ( 3.365 6.190 0.097) 7.046 10.867 ( 0.775 -1.626 0.341) 1.833 10.867 ( 0.775 1.626 0.341) 1.833 11.161 ( 2.052 -1.803 -4.634) 5.380 11.161 ( 2.052 1.803 -4.634) 5.380 ======================= Grid point 73 (39/96) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -3.509 -7.443 -0.410) 8.239 1.719 ( -3.509 7.443 -0.410) 8.239 1.943 ( -4.946 -5.871 5.466) 9.423 1.943 ( -4.946 5.871 5.466) 9.423 2.407 ( 0.624 -3.837 -3.415) 5.174 2.407 ( 0.624 3.837 -3.415) 5.175 2.519 ( 0.634 -0.978 -0.315) 1.207 2.519 ( 0.634 0.978 -0.315) 1.207 2.861 ( -3.466 -1.711 -0.052) 3.866 2.861 ( -3.466 1.711 -0.052) 3.866 2.954 ( -1.616 -2.158 -1.764) 3.222 2.954 ( -1.616 2.158 -1.764) 3.222 3.073 ( 0.899 -5.169 0.333) 5.257 3.073 ( 0.899 5.169 0.333) 5.257 3.366 ( -2.971 -2.905 -0.519) 4.188 3.366 ( -2.971 2.905 -0.519) 4.188 3.695 ( 1.810 -5.475 -0.842) 5.827 3.695 ( 1.810 5.475 -0.842) 5.827 3.785 ( 2.186 -2.848 0.651) 3.648 3.785 ( 2.186 2.848 0.651) 3.648 4.028 ( -0.414 -5.717 6.138) 8.398 4.028 ( -0.414 5.717 6.138) 8.398 4.260 ( 0.701 -0.715 4.299) 4.414 4.260 ( 0.701 0.715 4.299) 4.414 4.666 ( -1.514 -0.986 0.752) 1.957 4.666 ( -1.514 0.986 0.752) 1.957 4.758 ( 2.917 -4.911 1.942) 6.033 4.758 ( 2.917 4.911 1.942) 6.033 5.013 ( -4.568 -2.789 1.536) 5.568 5.013 ( -4.568 2.789 1.536) 5.568 5.245 ( -1.979 -4.016 -0.224) 4.483 5.245 ( -1.979 4.016 -0.224) 4.483 5.501 ( 0.450 -1.526 -3.080) 3.466 5.501 ( 0.450 1.526 -3.080) 3.466 5.641 ( -2.481 -3.337 1.948) 4.592 5.641 ( -2.481 3.337 1.948) 4.592 6.051 ( -1.771 -2.283 -0.525) 2.936 6.051 ( -1.771 2.283 -0.525) 2.936 6.180 ( -1.916 -1.718 -2.569) 3.637 6.180 ( -1.916 1.718 -2.569) 3.637 6.466 ( -1.622 -1.049 1.832) 2.662 6.466 ( -1.622 1.049 1.832) 2.662 6.595 ( -2.615 -1.637 2.352) 3.880 6.595 ( -2.615 1.637 2.352) 3.880 6.881 ( 0.979 -3.589 -2.229) 4.336 6.881 ( 0.979 3.589 -2.229) 4.336 7.014 ( -2.169 -5.014 -1.725) 5.729 7.014 ( -2.169 5.014 -1.725) 5.729 7.421 ( -2.882 -5.225 -0.190) 5.970 7.421 ( -2.882 5.225 -0.190) 5.970 7.601 ( -2.130 -1.348 -1.762) 3.076 7.601 ( -2.130 1.348 -1.762) 3.076 7.913 ( 0.134 -1.989 7.405) 7.669 7.913 ( 0.134 1.989 7.405) 7.669 8.280 ( -1.359 -2.146 -1.337) 2.871 8.280 ( -1.359 2.146 -1.337) 2.871 8.550 ( -1.062 -3.027 -0.005) 3.208 8.550 ( -1.062 3.027 -0.005) 3.208 8.893 ( -2.767 -7.041 -3.870) 8.497 8.893 ( -2.767 7.041 -3.870) 8.497 9.566 ( -3.191 -4.962 2.883) 6.566 9.566 ( -3.191 4.962 2.883) 6.566 9.724 ( -2.263 -9.076 1.354) 9.452 9.724 ( -2.263 9.076 1.354) 9.452 10.288 ( -9.463 -4.051 -0.645) 10.314 10.288 ( -9.463 4.051 -0.645) 10.314 10.527 ( -4.269 -5.662 -0.348) 7.099 10.527 ( -4.269 5.662 -0.348) 7.099 10.883 ( 0.391 -3.725 0.850) 3.841 10.883 ( 0.391 3.725 0.850) 3.841 11.157 ( -2.193 -2.056 -4.683) 5.565 11.157 ( -2.193 2.056 -4.683) 5.565 ======================= Grid point 75 (40/96) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -8.368 -10.427 -0.827) 13.395 1.592 ( -8.368 10.427 -0.827) 13.395 1.791 ( -9.527 -9.212 7.278) 15.119 1.791 ( -9.527 9.212 7.278) 15.119 2.365 ( -5.307 -3.179 -4.448) 7.620 2.365 ( -5.307 3.179 -4.448) 7.620 2.539 ( 0.645 -3.048 0.781) 3.212 2.539 ( 0.645 3.048 0.781) 3.212 2.706 ( -10.551 -1.275 0.405) 10.635 2.706 ( -10.551 1.275 0.405) 10.635 2.904 ( -4.358 -4.400 -2.260) 6.592 2.904 ( -4.358 4.400 -2.260) 6.592 3.085 ( 0.395 -4.620 1.604) 4.906 3.085 ( 0.395 4.620 1.604) 4.906 3.278 ( -4.337 -2.553 -2.731) 5.726 3.278 ( -4.337 2.553 -2.731) 5.726 3.713 ( 0.450 -5.798 -2.818) 6.463 3.713 ( 0.450 5.798 -2.818) 6.463 3.881 ( 5.848 -3.747 5.666) 8.963 3.881 ( 5.848 3.747 5.666) 8.963 4.033 ( 1.405 -5.400 4.810) 7.367 4.033 ( 1.405 5.400 4.810) 7.367 4.286 ( 1.541 -3.593 3.336) 5.139 4.286 ( 1.541 3.593 3.336) 5.139 4.639 ( -1.324 -2.439 0.802) 2.889 4.639 ( -1.324 2.439 0.802) 2.889 4.832 ( 2.613 -7.050 0.612) 7.544 4.832 ( 2.613 7.050 0.612) 7.544 4.878 ( -5.771 -2.208 3.464) 7.084 4.878 ( -5.771 2.208 3.464) 7.084 5.170 ( -4.934 -2.064 -0.551) 5.377 5.170 ( -4.934 2.064 -0.551) 5.377 5.459 ( -4.622 -2.497 -2.400) 5.776 5.459 ( -4.622 2.497 -2.400) 5.776 5.587 ( -2.079 -3.293 0.917) 4.001 5.587 ( -2.079 3.293 0.917) 4.001 5.986 ( -4.013 -1.516 -0.385) 4.307 5.986 ( -4.013 1.516 -0.385) 4.307 6.124 ( -3.113 -0.881 -2.783) 4.268 6.124 ( -3.113 0.881 -2.783) 4.268 6.377 ( -6.620 -0.374 3.007) 7.280 6.377 ( -6.620 0.374 3.007) 7.280 6.537 ( -2.724 -2.426 0.501) 3.682 6.537 ( -2.724 2.426 0.501) 3.682 6.866 ( -3.057 -3.192 -2.728) 5.194 6.866 ( -3.057 3.192 -2.728) 5.194 6.929 ( -5.779 -4.713 -2.131) 7.756 6.929 ( -5.779 4.713 -2.131) 7.756 7.297 ( -8.597 -5.487 2.010) 10.395 7.297 ( -8.597 5.487 2.010) 10.395 7.521 ( -5.086 -2.650 -2.074) 6.099 7.521 ( -5.086 2.650 -2.074) 6.099 7.918 ( -0.014 -1.515 6.430) 6.606 7.918 ( -0.014 1.515 6.430) 6.606 8.233 ( -2.917 -1.026 -1.241) 3.332 8.233 ( -2.917 1.026 -1.241) 3.332 8.505 ( -3.104 -2.351 1.644) 4.226 8.505 ( -3.104 2.351 1.644) 4.227 8.774 ( -8.393 -7.974 -3.808) 12.187 8.774 ( -8.393 7.974 -3.808) 12.187 9.416 ( -11.116 -5.026 1.840) 12.337 9.416 ( -11.116 5.026 1.840) 12.337 9.637 ( -7.381 -9.655 -0.338) 12.158 9.637 ( -7.381 9.655 -0.338) 12.158 9.958 ( -19.661 -5.307 0.607) 20.374 9.958 ( -19.661 5.307 0.607) 20.374 10.387 ( -7.738 -6.183 -1.396) 10.003 10.387 ( -7.738 6.183 -1.396) 10.003 10.876 ( -1.020 -5.505 0.359) 5.610 10.876 ( -1.020 5.505 0.359) 5.610 11.076 ( -4.959 -4.820 -3.136) 7.593 11.076 ( -4.959 4.820 -3.136) 7.594 ======================= Grid point 77 (41/96) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -11.190 -14.206 -0.206) 18.085 1.385 ( -11.190 14.206 -0.206) 18.085 1.574 ( -11.391 -13.280 9.372) 19.848 1.574 ( -11.391 13.280 9.372) 19.848 2.143 ( -15.271 -6.676 -1.725) 16.756 2.143 ( -15.271 6.676 -1.725) 16.756 2.461 ( -12.157 -2.305 -2.432) 12.611 2.461 ( -12.157 2.305 -2.432) 12.611 2.526 ( -2.833 -1.223 -0.407) 3.112 2.526 ( -2.833 1.223 -0.407) 3.112 2.793 ( -3.661 -0.539 0.318) 3.714 2.793 ( -3.661 0.539 0.318) 3.714 3.113 ( 1.442 -3.854 0.060) 4.115 3.113 ( 1.442 3.854 0.060) 4.115 3.223 ( 0.127 -7.374 -2.314) 7.730 3.223 ( 0.127 7.374 -2.314) 7.730 3.723 ( 0.269 -6.797 -0.668) 6.835 3.723 ( 0.269 6.797 -0.668) 6.835 3.956 ( 0.041 -6.187 6.512) 8.982 3.956 ( 0.041 6.187 6.512) 8.982 4.097 ( 3.679 -2.455 3.052) 5.374 4.097 ( 3.679 2.455 3.052) 5.374 4.322 ( 1.452 -3.009 1.008) 3.490 4.322 ( 1.452 3.009 1.008) 3.490 4.597 ( -1.553 -1.113 1.838) 2.652 4.597 ( -1.553 1.113 1.838) 2.652 4.782 ( -1.151 -2.842 2.877) 4.205 4.782 ( -1.151 2.842 2.877) 4.205 4.922 ( 3.234 -7.523 1.114) 8.264 4.922 ( 3.234 7.523 1.114) 8.264 5.065 ( -4.124 -1.218 -0.904) 4.394 5.065 ( -4.124 1.218 -0.904) 4.394 5.360 ( -3.059 -3.802 -2.399) 5.437 5.360 ( -3.059 3.802 -2.399) 5.437 5.554 ( -1.120 -1.884 0.205) 2.201 5.554 ( -1.120 1.884 0.205) 2.201 5.900 ( -4.203 -0.223 -0.236) 4.216 5.900 ( -4.203 0.223 -0.236) 4.216 6.051 ( -4.613 -0.291 -1.314) 4.806 6.051 ( -4.613 0.291 -1.314) 4.806 6.228 ( -6.422 -1.327 1.784) 6.796 6.228 ( -6.422 1.327 1.784) 6.796 6.480 ( -2.823 -1.566 -0.044) 3.228 6.480 ( -2.823 1.566 -0.044) 3.228 6.707 ( -11.016 -0.783 -5.702) 12.429 6.707 ( -11.016 0.783 -5.702) 12.429 6.816 ( -5.351 -3.451 -0.302) 6.374 6.816 ( -5.351 3.451 -0.302) 6.374 7.104 ( -9.133 -4.944 3.301) 10.898 7.104 ( -9.133 4.944 3.301) 10.898 7.398 ( -6.609 -3.351 -1.704) 7.603 7.398 ( -6.609 3.351 -1.704) 7.603 7.910 ( -1.267 -1.477 4.565) 4.962 7.910 ( -1.267 1.477 4.565) 4.962 8.162 ( -3.967 -1.199 -1.197) 4.314 8.162 ( -3.967 1.199 -1.197) 4.314 8.424 ( -5.411 -3.542 4.281) 7.756 8.424 ( -5.411 3.542 4.281) 7.756 8.558 ( -11.201 -8.734 -2.561) 14.433 8.558 ( -11.201 8.734 -2.561) 14.433 9.125 ( -16.045 -4.951 -4.144) 17.295 9.125 ( -16.045 4.951 -4.144) 17.295 9.310 ( -21.397 -3.335 0.281) 21.657 9.310 ( -21.397 3.335 0.281) 21.657 9.679 ( -6.615 -0.405 1.313) 6.756 9.679 ( -6.615 0.405 1.313) 6.756 10.273 ( -1.909 -7.939 -3.575) 8.914 10.273 ( -1.909 7.939 -3.575) 8.914 10.856 ( -0.313 -4.503 0.408) 4.532 10.856 ( -0.313 4.503 0.408) 4.532 10.977 ( -3.776 -4.884 -0.410) 6.187 10.977 ( -3.776 4.884 -0.410) 6.187 ======================= Grid point 79 (42/96) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -11.087 -20.772 0.302) 23.548 1.143 ( -11.087 20.772 0.302) 23.548 1.336 ( -11.494 -18.774 6.831) 23.048 1.336 ( -11.494 18.774 6.831) 23.048 1.872 ( -7.516 -16.794 5.763) 19.281 1.872 ( -7.516 16.794 5.763) 19.281 2.195 ( -11.521 -2.303 -2.345) 11.981 2.195 ( -11.521 2.303 -2.345) 11.981 2.456 ( -3.258 -1.277 -4.217) 5.480 2.456 ( -3.258 1.277 -4.217) 5.480 2.787 ( 1.632 -4.254 -0.047) 4.557 2.787 ( 1.632 4.254 -0.047) 4.557 3.133 ( 1.191 -6.588 2.021) 6.993 3.133 ( 1.191 6.588 2.021) 6.993 3.288 ( 5.102 -6.625 -2.458) 8.716 3.288 ( 5.102 6.625 -2.458) 8.716 3.700 ( -2.335 -6.967 0.596) 7.372 3.700 ( -2.335 6.967 0.596) 7.372 3.898 ( -5.058 -5.530 6.070) 9.644 3.898 ( -5.058 5.530 6.070) 9.644 4.151 ( 1.201 -4.111 2.137) 4.787 4.151 ( 1.201 4.112 2.137) 4.787 4.353 ( 2.328 -2.394 2.481) 4.160 4.353 ( 2.328 2.394 2.481) 4.160 4.612 ( 1.364 -2.215 2.224) 3.422 4.612 ( 1.364 2.215 2.224) 3.422 4.791 ( 2.032 -2.424 0.826) 3.269 4.791 ( 2.032 2.424 0.826) 3.269 4.943 ( 0.392 -6.777 -1.633) 6.982 4.943 ( 0.392 6.777 -1.633) 6.982 5.054 ( 1.786 -4.632 1.514) 5.190 5.054 ( 1.786 4.632 1.514) 5.190 5.372 ( 4.149 -4.359 -3.574) 6.999 5.372 ( 4.149 4.359 -3.574) 6.999 5.550 ( 0.875 -1.964 0.286) 2.169 5.550 ( 0.875 1.964 0.286) 2.169 5.804 ( -5.417 -1.908 0.304) 5.752 5.804 ( -5.417 1.908 0.304) 5.752 5.870 ( -12.217 -0.257 1.468) 12.308 5.870 ( -12.217 0.257 1.468) 12.308 6.188 ( 2.378 -1.014 -1.091) 2.806 6.188 ( 2.378 1.014 -1.091) 2.806 6.420 ( -2.863 -0.280 0.022) 2.876 6.420 ( -2.863 0.280 0.022) 2.876 6.498 ( -6.670 -1.940 -4.892) 8.496 6.498 ( -6.670 1.940 -4.892) 8.496 6.683 ( -7.436 -2.417 0.252) 7.823 6.683 ( -7.436 2.417 0.252) 7.823 6.955 ( -4.751 -3.337 2.545) 6.339 6.955 ( -4.751 3.337 2.545) 6.339 7.261 ( -5.822 -3.324 -1.145) 6.802 7.261 ( -5.822 3.324 -1.145) 6.802 7.864 ( -3.117 -1.308 1.318) 3.629 7.864 ( -3.117 1.308 1.318) 3.629 8.054 ( -6.349 -3.304 -0.111) 7.158 8.054 ( -6.349 3.304 -0.111) 7.158 8.264 ( -8.136 -2.447 2.391) 8.826 8.264 ( -8.136 2.447 2.391) 8.826 8.366 ( -7.802 -4.722 2.048) 9.347 8.366 ( -7.802 4.722 2.048) 9.347 8.827 ( -9.465 -3.150 -7.043) 12.211 8.827 ( -9.465 3.150 -7.043) 12.211 8.968 ( -9.947 -2.460 0.766) 10.275 8.968 ( -9.947 2.460 0.766) 10.275 9.587 ( -3.040 -1.036 0.147) 3.215 9.587 ( -3.040 1.036 0.147) 3.215 10.307 ( 3.926 -6.797 -9.366) 12.221 10.307 ( 3.926 6.797 -9.366) 12.221 10.865 ( -0.616 -6.560 2.628) 7.094 10.865 ( -0.616 6.560 2.628) 7.094 10.993 ( 8.396 -7.145 1.443) 11.119 10.993 ( 8.396 7.145 1.443) 11.119 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.455 0.000 22.144) 22.149 1.043 ( 1.850 0.000 24.957) 25.026 1.447 ( 5.812 0.000 30.387) 30.938 1.793 ( -2.396 0.000 0.272) 2.412 1.840 ( 1.510 0.000 2.186) 2.657 1.901 ( 1.778 0.000 -10.321) 10.473 1.946 ( -4.243 0.000 -6.646) 7.886 1.977 ( 0.210 0.000 -7.282) 7.286 2.344 ( -2.780 0.000 -12.816) 13.114 2.373 ( -1.578 0.000 3.523) 3.860 2.769 ( -1.303 0.000 1.746) 2.179 2.811 ( 0.044 0.000 -3.677) 3.677 3.028 ( -3.985 0.000 2.415) 4.660 3.111 ( 6.302 0.000 -3.691) 7.303 3.188 ( 0.399 0.000 1.295) 1.355 3.280 ( -3.121 0.000 -1.245) 3.360 3.765 ( 4.220 0.000 9.400) 10.304 3.831 ( 3.178 0.000 1.173) 3.387 3.900 ( -7.542 0.000 3.837) 8.462 4.152 ( -4.636 0.000 1.245) 4.800 4.168 ( 5.220 0.000 3.682) 6.388 4.276 ( -0.864 0.000 -1.261) 1.529 4.453 ( 2.785 0.000 3.544) 4.507 4.485 ( -4.077 0.000 0.577) 4.118 4.529 ( 0.738 0.000 -3.952) 4.020 4.617 ( -4.177 0.000 1.824) 4.557 4.789 ( 1.895 0.000 4.322) 4.719 4.830 ( -0.400 0.000 -1.049) 1.122 4.864 ( 5.142 0.000 4.297) 6.702 4.986 ( 3.531 0.000 -2.085) 4.101 5.153 ( -6.053 0.000 -1.670) 6.280 5.315 ( -7.025 0.000 -2.691) 7.523 5.333 ( 6.275 0.000 1.979) 6.580 5.490 ( -3.481 0.000 -1.012) 3.626 5.538 ( 4.926 0.000 1.222) 5.075 5.610 ( 11.922 0.000 2.692) 12.222 5.646 ( 4.903 0.000 0.841) 4.975 5.668 ( -7.223 0.000 -4.291) 8.402 5.761 ( -1.137 0.000 1.513) 1.893 5.822 ( -4.890 0.000 2.774) 5.622 6.204 ( 1.115 0.000 2.078) 2.358 6.253 ( 0.569 0.000 -0.031) 0.570 6.340 ( 6.480 0.000 0.203) 6.483 6.381 ( 1.015 0.000 0.016) 1.015 6.389 ( 0.841 0.000 -0.910) 1.239 6.423 ( -0.726 0.000 -2.373) 2.481 6.435 ( -6.247 0.000 2.940) 6.904 6.577 ( 0.754 0.000 -1.310) 1.512 6.859 ( -2.423 0.000 -1.209) 2.707 6.903 ( 1.562 0.000 -1.867) 2.434 7.130 ( -4.030 0.000 -4.305) 5.897 7.132 ( 0.780 0.000 -3.727) 3.807 7.789 ( -2.471 0.000 -0.958) 2.650 7.790 ( 0.317 0.000 -2.073) 2.097 7.854 ( -1.284 0.000 1.358) 1.869 7.967 ( 0.286 0.000 -1.507) 1.534 8.229 ( -1.595 0.000 4.572) 4.842 8.248 ( -1.655 0.000 4.049) 4.374 8.366 ( -1.618 0.000 5.253) 5.497 8.389 ( -2.097 0.000 -2.101) 2.968 8.481 ( 2.149 0.000 3.474) 4.085 8.752 ( 0.357 0.000 -2.187) 2.215 8.826 ( 16.005 0.000 -1.817) 16.107 8.831 ( -1.907 0.000 -8.992) 9.192 9.454 ( -0.087 0.000 -1.147) 1.150 9.658 ( -0.474 0.000 -1.488) 1.562 10.130 ( 1.435 0.000 -8.990) 9.103 10.449 ( -1.863 0.000 -7.654) 7.877 10.629 ( -0.326 0.000 1.167) 1.212 10.779 ( 1.024 0.000 -1.435) 1.763 11.105 ( -0.477 0.000 3.510) 3.542 11.279 ( -1.547 0.000 -3.031) 3.403 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 13.243 0.000 17.253) 21.749 1.189 ( 10.270 0.000 22.820) 25.024 1.731 ( 16.103 0.000 22.703) 27.834 1.826 ( 3.564 0.000 -0.968) 3.693 1.888 ( 3.024 0.000 -1.365) 3.318 2.024 ( 10.625 0.000 -8.849) 13.827 2.036 ( 14.490 0.000 1.353) 14.554 2.118 ( 13.212 0.000 -6.758) 14.840 2.309 ( 0.802 0.000 -11.881) 11.908 2.342 ( -0.144 0.000 0.729) 0.743 2.622 ( -7.371 0.000 -0.179) 7.373 2.740 ( -5.806 0.000 -2.308) 6.248 3.061 ( 6.212 0.000 1.850) 6.482 3.157 ( -1.831 0.000 2.525) 3.119 3.183 ( -4.103 0.000 1.243) 4.287 3.342 ( 9.617 0.000 -3.929) 10.388 3.705 ( -5.856 0.000 4.944) 7.664 3.867 ( -0.980 0.000 6.730) 6.801 3.923 ( 2.910 0.000 1.266) 3.174 4.120 ( 1.966 0.000 2.345) 3.060 4.159 ( -6.057 0.000 -5.916) 8.466 4.304 ( 1.743 0.000 3.178) 3.625 4.401 ( -2.584 0.000 3.760) 4.562 4.464 ( -4.224 0.000 2.706) 5.016 4.554 ( 1.730 0.000 2.739) 3.240 4.588 ( 3.037 0.000 0.089) 3.038 4.722 ( -6.670 0.000 0.111) 6.671 4.817 ( 1.566 0.000 3.142) 3.510 4.974 ( 0.400 0.000 7.309) 7.320 4.995 ( -1.183 0.000 -0.261) 1.211 5.031 ( 1.069 0.000 -5.499) 5.601 5.144 ( -7.097 0.000 -2.202) 7.431 5.301 ( -3.024 0.000 1.845) 3.542 5.477 ( -0.411 0.000 -2.998) 3.026 5.494 ( -4.320 0.000 -3.165) 5.355 5.543 ( -4.379 0.000 2.213) 4.906 5.759 ( 5.256 0.000 -2.501) 5.820 5.765 ( 3.536 0.000 -0.888) 3.646 5.942 ( 13.159 0.000 4.240) 13.825 6.014 ( 11.632 0.000 -0.650) 11.650 6.203 ( -2.734 0.000 0.740) 2.832 6.248 ( 4.932 0.000 -1.840) 5.264 6.306 ( -1.234 0.000 1.547) 1.979 6.429 ( 4.340 0.000 -0.476) 4.366 6.460 ( 4.936 0.000 -0.449) 4.957 6.520 ( 6.872 0.000 -4.727) 8.341 6.525 ( 7.735 0.000 2.700) 8.193 6.710 ( 9.462 0.000 1.379) 9.562 6.857 ( 3.812 0.000 -2.414) 4.512 6.970 ( 4.714 0.000 -2.426) 5.301 7.132 ( 4.261 0.000 -0.811) 4.338 7.219 ( 6.397 0.000 -3.742) 7.411 7.834 ( 2.311 0.000 0.745) 2.428 7.862 ( 8.809 0.000 -0.593) 8.829 7.939 ( 8.201 0.000 0.428) 8.212 7.983 ( 0.277 0.000 2.576) 2.591 8.267 ( 1.865 0.000 3.461) 3.932 8.351 ( 1.135 0.000 5.271) 5.392 8.389 ( 2.651 0.000 -1.669) 3.133 8.409 ( 19.551 0.000 2.723) 19.739 8.611 ( 10.465 0.000 4.849) 11.533 8.813 ( 4.321 0.000 -5.413) 6.926 8.895 ( 9.712 0.000 -8.244) 12.739 9.151 ( 13.605 0.000 -8.848) 16.229 9.495 ( 4.732 0.000 -1.441) 4.946 9.701 ( 4.642 0.000 0.102) 4.643 10.200 ( 5.836 0.000 -9.086) 10.798 10.249 ( -11.801 0.000 5.767) 13.135 10.642 ( 1.891 0.000 0.789) 2.049 10.799 ( 0.694 0.000 -1.789) 1.919 11.091 ( -0.619 0.000 3.185) 3.245 11.110 ( -7.256 0.000 -1.287) 7.369 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 15.151 0.000 12.806) 19.838 1.449 ( 12.982 0.000 17.167) 21.523 1.856 ( 2.718 0.000 2.594) 3.758 1.929 ( 6.486 0.000 -1.481) 6.653 2.212 ( 15.245 0.000 4.550) 15.910 2.227 ( 5.599 0.000 -9.218) 10.785 2.275 ( 8.566 0.000 -1.181) 8.647 2.424 ( 15.203 0.000 -0.655) 15.217 2.425 ( 7.229 0.000 3.618) 8.084 2.470 ( 12.434 0.000 -1.387) 12.512 2.619 ( 10.736 0.000 -5.341) 11.991 2.647 ( -1.476 0.000 -0.270) 1.501 3.048 ( -7.987 0.000 1.474) 8.121 3.113 ( 1.077 0.000 -4.382) 4.512 3.259 ( 8.791 0.000 6.680) 11.041 3.509 ( 5.642 0.000 -3.751) 6.775 3.589 ( -5.172 0.000 7.145) 8.820 3.804 ( -4.543 0.000 2.565) 5.217 3.882 ( -7.461 0.000 -1.189) 7.555 3.952 ( -11.233 0.000 -9.456) 14.683 4.142 ( -1.433 0.000 2.978) 3.305 4.305 ( -5.793 0.000 8.380) 10.187 4.335 ( -7.609 0.000 2.930) 8.154 4.374 ( 3.263 0.000 2.448) 4.079 4.618 ( -0.197 0.000 3.263) 3.269 4.627 ( 3.854 0.000 5.412) 6.644 4.711 ( 7.300 0.000 0.738) 7.337 4.842 ( -0.271 0.000 1.379) 1.406 4.966 ( 2.105 0.000 0.304) 2.127 5.020 ( 4.153 0.000 2.205) 4.702 5.101 ( 3.441 0.000 -3.475) 4.891 5.153 ( 7.230 0.000 1.058) 7.307 5.299 ( 1.904 0.000 0.281) 1.924 5.392 ( -1.551 0.000 -6.086) 6.280 5.450 ( -2.978 0.000 1.141) 3.189 5.563 ( 4.542 0.000 -0.564) 4.577 5.847 ( 4.063 0.000 -0.611) 4.109 5.900 ( 7.715 0.000 -1.586) 7.876 6.098 ( 1.729 0.000 0.828) 1.917 6.134 ( -2.490 0.000 -0.531) 2.546 6.205 ( 11.700 0.000 3.525) 12.219 6.335 ( 2.745 0.000 2.737) 3.876 6.406 ( 5.285 0.000 -3.114) 6.134 6.561 ( 4.551 0.000 -0.460) 4.574 6.573 ( 8.803 0.000 -3.286) 9.396 6.664 ( 7.407 0.000 -4.657) 8.750 6.668 ( 5.694 0.000 3.758) 6.822 6.903 ( 8.708 0.000 0.763) 8.742 7.012 ( 9.184 0.000 -2.733) 9.582 7.098 ( 7.471 0.000 -2.844) 7.994 7.268 ( 7.934 0.000 -1.568) 8.087 7.343 ( 5.188 0.000 -4.402) 6.804 7.876 ( 1.918 0.000 4.141) 4.564 8.006 ( 2.003 0.000 4.406) 4.840 8.052 ( 7.053 0.000 0.558) 7.075 8.122 ( 8.617 0.000 -1.414) 8.732 8.307 ( 2.075 0.000 4.772) 5.203 8.369 ( 1.136 0.000 4.779) 4.912 8.500 ( 7.493 0.000 -0.628) 7.519 8.863 ( 6.813 0.000 -3.111) 7.490 8.935 ( 12.972 0.000 0.182) 12.973 8.992 ( 31.177 0.000 0.942) 31.191 9.271 ( 26.019 0.000 -6.931) 26.926 9.374 ( 9.854 0.000 -4.339) 10.767 9.641 ( 7.710 0.000 -1.328) 7.824 9.846 ( 8.830 0.000 1.409) 8.942 10.151 ( 2.665 0.000 10.599) 10.929 10.362 ( 9.833 0.000 -9.328) 13.554 10.703 ( 3.829 0.000 0.581) 3.873 10.807 ( 0.632 0.000 -1.422) 1.556 11.023 ( -2.056 0.000 -3.326) 3.910 11.098 ( 1.027 0.000 0.662) 1.221 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 13.829 0.000 10.380) 17.291 1.711 ( 11.007 0.000 11.609) 15.998 1.919 ( 2.721 0.000 4.172) 4.981 2.057 ( 4.640 0.000 -1.212) 4.795 2.297 ( 2.333 0.000 -8.162) 8.489 2.322 ( 2.347 0.000 -5.424) 5.910 2.469 ( 4.544 0.000 2.831) 5.354 2.557 ( 0.319 0.000 1.676) 1.706 2.623 ( 12.220 0.000 2.088) 12.397 2.725 ( 10.995 0.000 2.716) 11.325 2.781 ( 8.254 0.000 0.256) 8.258 2.795 ( -2.906 0.000 -1.394) 3.223 2.985 ( 7.217 0.000 -1.991) 7.487 3.202 ( 8.202 0.000 -6.622) 10.541 3.407 ( 3.383 0.000 3.518) 4.880 3.449 ( -5.458 0.000 4.004) 6.769 3.634 ( -11.945 0.000 -9.463) 15.239 3.651 ( 4.809 0.000 2.523) 5.431 3.706 ( -3.489 0.000 1.245) 3.705 3.787 ( -5.174 0.000 -1.892) 5.509 4.074 ( -4.469 0.000 -0.408) 4.487 4.169 ( -5.245 0.000 9.400) 10.764 4.197 ( -4.877 0.000 8.359) 9.678 4.463 ( 3.814 0.000 -0.833) 3.904 4.605 ( -0.613 0.000 6.882) 6.909 4.745 ( 6.979 0.000 5.809) 9.081 4.821 ( -1.641 0.000 4.413) 4.708 4.924 ( 10.759 0.000 1.754) 10.901 5.025 ( 1.850 0.000 -0.492) 1.914 5.126 ( 5.138 0.000 1.122) 5.259 5.230 ( 7.674 0.000 -4.423) 8.857 5.236 ( -0.039 0.000 0.149) 0.154 5.379 ( 5.694 0.000 -1.971) 6.026 5.388 ( 0.678 0.000 -5.687) 5.728 5.456 ( 2.853 0.000 1.167) 3.082 5.662 ( 4.719 0.000 -0.873) 4.799 5.923 ( 3.053 0.000 -0.550) 3.102 6.042 ( 5.379 0.000 -0.235) 5.385 6.097 ( -1.232 0.000 -1.645) 2.056 6.146 ( 2.639 0.000 1.220) 2.907 6.393 ( 4.069 0.000 0.817) 4.150 6.442 ( 8.656 0.000 5.468) 10.239 6.484 ( 3.092 0.000 -0.815) 3.197 6.653 ( 4.610 0.000 0.173) 4.614 6.722 ( 5.203 0.000 -4.819) 7.092 6.753 ( 2.092 0.000 4.285) 4.768 6.826 ( 8.035 0.000 -3.865) 8.916 7.048 ( 4.880 0.000 -1.743) 5.182 7.171 ( 5.660 0.000 -1.820) 5.945 7.257 ( 7.515 0.000 -2.960) 8.077 7.421 ( 2.397 0.000 -4.138) 4.782 7.430 ( 7.266 0.000 -4.878) 8.751 7.924 ( 2.356 0.000 6.470) 6.885 8.059 ( 2.352 0.000 5.164) 5.675 8.143 ( 2.380 0.000 0.952) 2.564 8.273 ( 5.746 0.000 -3.423) 6.688 8.367 ( 3.644 0.000 7.299) 8.159 8.397 ( 1.237 0.000 5.406) 5.545 8.661 ( 7.005 0.000 -0.569) 7.028 8.938 ( 2.905 0.000 -8.712) 9.183 9.242 ( 13.135 0.000 4.584) 13.912 9.440 ( 10.190 0.000 -1.435) 10.291 9.718 ( 18.404 0.000 1.227) 18.445 9.770 ( 9.162 0.000 2.920) 9.616 9.841 ( 25.371 0.000 -6.091) 26.092 10.033 ( 8.176 0.000 1.621) 8.335 10.304 ( 9.157 0.000 6.953) 11.497 10.568 ( 9.039 0.000 -7.690) 11.868 10.793 ( 4.504 0.000 -0.422) 4.524 10.858 ( 5.268 0.000 -1.849) 5.583 10.991 ( -1.275 0.000 -3.499) 3.724 11.112 ( -0.277 0.000 -1.905) 1.925 ======================= Grid point 94 (47/96) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.696 0.000 9.861) 9.886 1.895 ( 5.343 0.000 8.467) 10.012 2.002 ( 6.936 0.000 4.488) 8.261 2.094 ( -0.466 0.000 -0.645) 0.796 2.325 ( 1.234 0.000 -5.416) 5.555 2.327 ( -1.571 0.000 1.437) 2.129 2.512 ( -0.182 0.000 -4.738) 4.741 2.581 ( 1.377 0.000 1.680) 2.172 2.743 ( 1.263 0.000 2.621) 2.909 2.835 ( -3.173 0.000 -0.464) 3.207 2.850 ( 0.852 0.000 1.332) 1.581 2.869 ( 11.712 0.000 -3.418) 12.201 3.090 ( 0.553 0.000 -1.825) 1.907 3.333 ( -3.439 0.000 -6.637) 7.475 3.354 ( -4.277 0.000 2.676) 5.045 3.400 ( 2.786 0.000 1.022) 2.968 3.520 ( 3.439 0.000 -7.700) 8.433 3.600 ( -3.589 0.000 0.998) 3.725 3.743 ( 0.373 0.000 -1.231) 1.287 3.800 ( 6.149 0.000 3.434) 7.043 3.987 ( -3.660 0.000 -0.345) 3.676 4.136 ( -1.912 0.000 11.132) 11.295 4.140 ( 1.400 0.000 7.443) 7.573 4.486 ( -1.611 0.000 0.611) 1.723 4.621 ( 1.475 0.000 8.448) 8.575 4.788 ( -1.328 0.000 5.878) 6.027 4.898 ( 6.937 0.000 5.505) 8.856 4.994 ( -4.430 0.000 2.878) 5.283 5.089 ( 4.234 0.000 0.789) 4.307 5.211 ( 2.685 0.000 -0.566) 2.744 5.267 ( 3.144 0.000 -3.007) 4.350 5.354 ( 1.519 0.000 -4.936) 5.164 5.402 ( -2.242 0.000 -5.684) 6.111 5.413 ( 3.718 0.000 -4.931) 6.175 5.545 ( 3.097 0.000 3.290) 4.519 5.739 ( 2.276 0.000 -0.416) 2.314 5.967 ( 1.048 0.000 0.007) 1.048 6.065 ( -1.571 0.000 -1.945) 2.500 6.119 ( 1.720 0.000 0.126) 1.724 6.189 ( 0.964 0.000 1.271) 1.595 6.448 ( 1.087 0.000 1.880) 2.172 6.535 ( 1.495 0.000 -0.139) 1.501 6.585 ( 4.381 0.000 2.644) 5.117 6.743 ( 1.071 0.000 4.118) 4.255 6.765 ( 1.430 0.000 2.892) 3.227 6.776 ( 0.136 0.000 -4.764) 4.766 6.971 ( 5.546 0.000 -4.305) 7.021 7.110 ( 1.543 0.000 -3.471) 3.798 7.248 ( 2.099 0.000 -0.776) 2.238 7.386 ( 4.443 0.000 -3.079) 5.405 7.433 ( -1.123 0.000 -3.639) 3.808 7.549 ( 4.071 0.000 -6.482) 7.655 7.969 ( 1.477 0.000 7.156) 7.307 8.090 ( 0.364 0.000 4.909) 4.922 8.170 ( 0.498 0.000 0.720) 0.875 8.355 ( 2.207 0.000 -4.372) 4.897 8.412 ( -0.126 0.000 4.966) 4.967 8.459 ( 3.990 0.000 11.401) 12.079 8.756 ( 1.929 0.000 -2.729) 3.343 8.987 ( 1.833 0.000 -7.008) 7.244 9.442 ( 5.635 0.000 4.239) 7.051 9.585 ( 4.460 0.000 0.818) 4.535 9.781 ( -0.946 0.000 3.676) 3.795 10.123 ( 10.629 0.000 2.846) 11.003 10.144 ( 2.927 0.000 -2.662) 3.957 10.219 ( 9.266 0.000 -3.261) 9.823 10.456 ( 4.123 0.000 4.957) 6.448 10.679 ( 1.723 0.000 -4.414) 4.738 10.877 ( 3.404 0.000 -2.542) 4.248 10.955 ( -2.235 0.000 -2.221) 3.150 11.024 ( 8.683 0.000 -3.557) 9.383 11.069 ( -3.361 0.000 -2.946) 4.469 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -7.463 0.000 8.817) 11.552 1.867 ( -8.079 0.000 8.040) 11.398 2.090 ( -0.422 0.000 1.250) 1.320 2.122 ( 3.260 0.000 -0.367) 3.280 2.325 ( 2.514 0.000 6.918) 7.360 2.350 ( 0.642 0.000 -0.462) 0.791 2.476 ( -3.001 0.000 -7.707) 8.270 2.593 ( -0.407 0.000 -0.869) 0.959 2.706 ( -6.774 0.000 -3.898) 7.815 2.792 ( -5.192 0.000 -1.696) 5.462 2.830 ( 5.488 0.000 4.459) 7.071 2.994 ( -8.292 0.000 0.468) 8.305 3.093 ( 6.151 0.000 -2.769) 6.746 3.211 ( -7.695 0.000 -4.718) 9.026 3.270 ( -3.111 0.000 0.789) 3.209 3.442 ( 2.317 0.000 4.014) 4.635 3.542 ( -1.723 0.000 -1.127) 2.059 3.668 ( 7.056 0.000 -7.852) 10.557 3.785 ( 4.025 0.000 -0.453) 4.051 3.911 ( 1.409 0.000 9.186) 9.294 3.932 ( 2.208 0.000 -4.140) 4.692 4.125 ( 0.570 0.000 10.034) 10.050 4.168 ( -0.377 0.000 0.043) 0.380 4.445 ( -1.276 0.000 7.465) 7.573 4.635 ( -0.663 0.000 5.974) 6.011 4.786 ( 0.782 0.000 6.198) 6.248 4.881 ( -6.172 0.000 4.958) 7.917 5.012 ( 2.693 0.000 5.537) 6.157 5.114 ( -0.615 0.000 -0.934) 1.118 5.230 ( -0.954 0.000 -0.556) 1.104 5.295 ( -2.681 0.000 -4.161) 4.950 5.302 ( -4.968 0.000 -4.696) 6.836 5.334 ( -2.179 0.000 -5.173) 5.614 5.492 ( 2.560 0.000 -4.746) 5.393 5.543 ( -3.200 0.000 3.387) 4.660 5.745 ( -1.799 0.000 -0.573) 1.889 5.971 ( -0.316 0.000 0.780) 0.842 6.023 ( -2.265 0.000 -2.467) 3.349 6.125 ( -1.029 0.000 1.045) 1.467 6.173 ( -2.701 0.000 0.835) 2.827 6.433 ( -2.573 0.000 0.955) 2.744 6.533 ( -1.785 0.000 0.064) 1.786 6.608 ( -3.029 0.000 5.115) 5.945 6.704 ( -1.950 0.000 1.633) 2.543 6.739 ( -2.888 0.000 -4.750) 5.559 6.813 ( 0.744 0.000 3.959) 4.028 7.036 ( 0.580 0.000 -4.632) 4.669 7.109 ( -1.720 0.000 -5.538) 5.799 7.251 ( -2.131 0.000 0.096) 2.134 7.359 ( -5.033 0.000 -2.813) 5.765 7.441 ( 0.363 0.000 -4.098) 4.114 7.572 ( -2.020 0.000 -6.618) 6.920 7.987 ( -0.022 0.000 6.324) 6.324 8.093 ( 0.100 0.000 5.171) 5.172 8.169 ( -0.572 0.000 0.811) 0.993 8.355 ( -2.058 0.000 -5.052) 5.455 8.390 ( -2.208 0.000 5.399) 5.833 8.524 ( 1.566 0.000 12.602) 12.699 8.744 ( -2.678 0.000 -2.612) 3.741 8.984 ( -2.278 0.000 -6.521) 6.908 9.476 ( -2.488 0.000 4.569) 5.203 9.610 ( -2.968 0.000 1.508) 3.329 9.711 ( -5.850 0.000 3.924) 7.044 10.135 ( -3.581 0.000 -5.994) 6.982 10.143 ( -8.811 0.000 3.394) 9.442 10.227 ( -8.026 0.000 -2.090) 8.293 10.460 ( -3.692 0.000 3.752) 5.264 10.637 ( -5.736 0.000 -4.676) 7.401 10.886 ( -3.400 0.000 -1.072) 3.565 10.940 ( 2.019 0.000 -3.745) 4.255 10.956 ( -5.763 0.000 -3.202) 6.593 11.169 ( 3.785 0.000 -2.288) 4.423 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -11.398 0.000 10.802) 15.704 1.636 ( -13.557 0.000 10.198) 16.965 2.036 ( -3.518 0.000 -1.585) 3.859 2.164 ( 0.092 0.000 -2.363) 2.365 2.315 ( -4.559 0.000 -0.908) 4.648 2.352 ( -8.142 0.000 -5.885) 10.046 2.408 ( 2.489 0.000 7.132) 7.553 2.512 ( -5.966 0.000 -4.032) 7.200 2.613 ( -6.870 0.000 2.142) 7.196 2.714 ( -16.921 0.000 5.024) 17.651 2.719 ( 1.703 0.000 -3.700) 4.073 2.920 ( 2.318 0.000 3.068) 3.845 2.999 ( -13.943 0.000 -4.320) 14.597 3.030 ( -8.329 0.000 -2.607) 8.727 3.311 ( 6.017 0.000 0.737) 6.062 3.441 ( -3.168 0.000 4.085) 5.170 3.557 ( 2.201 0.000 -1.765) 2.821 3.808 ( 7.060 0.000 -5.941) 9.227 3.899 ( 6.066 0.000 -1.189) 6.181 3.914 ( 1.466 0.000 3.623) 3.909 4.086 ( 10.103 0.000 2.338) 10.370 4.114 ( -3.290 0.000 -1.931) 3.815 4.169 ( 2.993 0.000 6.952) 7.569 4.457 ( 1.420 0.000 4.855) 5.059 4.622 ( -0.240 0.000 5.767) 5.772 4.753 ( -6.294 0.000 6.639) 9.148 4.800 ( -0.337 0.000 4.880) 4.892 4.980 ( -3.828 0.000 1.789) 4.226 5.097 ( -3.561 0.000 2.822) 4.543 5.137 ( -8.486 0.000 -4.293) 9.511 5.174 ( -6.746 0.000 -6.745) 9.539 5.202 ( -2.798 0.000 1.386) 3.123 5.288 ( -2.762 0.000 -2.128) 3.487 5.460 ( -3.449 0.000 3.637) 5.013 5.513 ( 0.128 0.000 -4.748) 4.749 5.669 ( -5.099 0.000 -2.140) 5.530 5.967 ( 0.045 0.000 2.034) 2.034 5.974 ( -2.186 0.000 -2.708) 3.481 6.080 ( -5.959 0.000 -0.003) 5.959 6.081 ( -3.262 0.000 2.093) 3.876 6.349 ( -5.101 0.000 0.073) 5.102 6.470 ( -3.924 0.000 -1.659) 4.261 6.489 ( -7.669 0.000 6.829) 10.269 6.656 ( -3.432 0.000 0.204) 3.438 6.665 ( -4.141 0.000 -3.925) 5.706 6.793 ( -2.852 0.000 4.056) 4.958 6.962 ( -8.439 0.000 -6.112) 10.420 7.033 ( -5.034 0.000 -4.707) 6.892 7.164 ( -5.622 0.000 0.523) 5.646 7.225 ( -7.394 0.000 -2.715) 7.877 7.407 ( -3.281 0.000 -4.391) 5.481 7.468 ( -6.876 0.000 -5.633) 8.888 7.980 ( -0.868 0.000 4.039) 4.131 8.099 ( -0.020 0.000 5.037) 5.037 8.147 ( -1.751 0.000 1.206) 2.126 8.271 ( -5.566 0.000 -4.701) 7.285 8.329 ( -3.617 0.000 4.937) 6.120 8.539 ( -0.448 0.000 12.781) 12.789 8.652 ( -5.676 0.000 -0.517) 5.699 8.883 ( -7.031 0.000 -7.646) 10.387 9.354 ( -9.102 0.000 4.789) 10.285 9.394 ( -18.522 0.000 2.403) 18.678 9.576 ( -8.117 0.000 -2.902) 8.621 9.806 ( -20.880 0.000 6.196) 21.780 9.860 ( -22.740 0.000 -6.377) 23.617 10.050 ( -7.376 0.000 -3.330) 8.093 10.347 ( -5.937 0.000 4.475) 7.434 10.453 ( -10.456 0.000 -6.124) 12.117 10.796 ( -4.921 0.000 -0.705) 4.972 10.848 ( -4.268 0.000 -1.871) 4.660 10.978 ( 1.775 0.000 -3.392) 3.828 11.188 ( -1.309 0.000 -1.261) 1.818 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -14.104 0.000 14.412) 20.165 1.346 ( -12.887 0.000 15.540) 20.189 1.931 ( -12.127 0.000 1.834) 12.265 2.023 ( -16.418 0.000 3.024) 16.694 2.117 ( -4.598 0.000 -5.664) 7.296 2.171 ( -7.888 0.000 -6.392) 10.153 2.316 ( -14.552 0.000 0.336) 14.556 2.408 ( -12.188 0.000 -1.178) 12.245 2.458 ( -6.075 0.000 2.886) 6.726 2.489 ( 4.126 0.000 5.148) 6.597 2.644 ( -15.968 0.000 -9.008) 18.334 2.774 ( 2.431 0.000 -2.734) 3.658 2.945 ( 1.302 0.000 1.321) 1.855 2.965 ( 2.497 0.000 1.939) 3.161 3.347 ( -5.519 0.000 1.932) 5.848 3.466 ( 8.142 0.000 4.427) 9.268 3.557 ( -3.111 0.000 -2.978) 4.307 3.915 ( -0.728 0.000 -4.567) 4.624 3.943 ( 2.393 0.000 -0.518) 2.448 3.950 ( 1.131 0.000 2.892) 3.105 4.164 ( 7.583 0.000 1.107) 7.663 4.230 ( 2.910 0.000 3.877) 4.847 4.327 ( 10.955 0.000 4.916) 12.007 4.486 ( 1.386 0.000 0.585) 1.504 4.631 ( 0.604 0.000 4.194) 4.238 4.635 ( -4.815 0.000 7.853) 9.212 4.759 ( -3.885 0.000 1.977) 4.359 4.865 ( -10.538 0.000 -0.103) 10.539 4.960 ( -6.667 0.000 -4.730) 8.175 4.997 ( 0.900 0.000 -0.544) 1.051 5.059 ( -5.043 0.000 0.000) 5.043 5.188 ( 2.329 0.000 3.348) 4.079 5.230 ( -2.385 0.000 -1.919) 3.061 5.434 ( 0.368 0.000 2.962) 2.985 5.509 ( -0.885 0.000 -4.029) 4.125 5.561 ( -3.539 0.000 -4.157) 5.459 5.923 ( -3.588 0.000 -1.345) 3.832 5.936 ( -7.571 0.000 -1.250) 7.673 5.980 ( 0.979 0.000 3.603) 3.733 6.002 ( -3.936 0.000 1.829) 4.340 6.240 ( -4.987 0.000 0.300) 4.996 6.326 ( -7.279 0.000 6.472) 9.740 6.368 ( -6.215 0.000 -5.120) 8.052 6.558 ( -6.005 0.000 -2.033) 6.340 6.559 ( -5.689 0.000 -0.101) 5.690 6.702 ( -5.741 0.000 2.905) 6.435 6.717 ( -12.774 0.000 -5.324) 13.839 6.889 ( -8.591 0.000 -2.002) 8.821 7.043 ( -5.846 0.000 -0.133) 5.848 7.067 ( -7.324 0.000 -2.012) 7.595 7.311 ( -5.559 0.000 -4.333) 7.048 7.318 ( -6.540 0.000 -4.754) 8.085 7.953 ( -1.974 0.000 1.808) 2.677 8.084 ( -1.824 0.000 3.057) 3.559 8.087 ( -4.446 0.000 1.548) 4.708 8.126 ( -8.171 0.000 -2.993) 8.702 8.258 ( -3.074 0.000 3.900) 4.966 8.528 ( -0.997 0.000 12.960) 12.998 8.536 ( -4.959 0.000 1.331) 5.134 8.698 ( -9.787 0.000 -6.653) 11.835 8.897 ( -26.770 0.000 -3.629) 27.015 9.118 ( -13.564 0.000 2.610) 13.813 9.166 ( -27.913 0.000 1.373) 27.947 9.339 ( -23.735 0.000 -5.990) 24.479 9.554 ( -5.038 0.000 2.213) 5.503 9.875 ( -8.725 0.000 -3.945) 9.575 10.255 ( -7.463 0.000 -7.846) 10.828 10.267 ( -1.131 0.000 7.003) 7.094 10.697 ( -4.096 0.000 -0.432) 4.118 10.782 ( -1.924 0.000 -1.059) 2.197 11.020 ( 2.762 0.000 -1.997) 3.408 11.143 ( -2.323 0.000 0.194) 2.331 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -15.077 0.000 19.621) 24.744 1.106 ( -8.605 0.000 20.587) 22.313 1.519 ( -14.921 0.000 22.314) 26.843 1.890 ( -4.263 0.000 -0.377) 4.280 1.958 ( -9.908 0.000 -2.055) 10.119 1.993 ( -11.981 0.000 -7.312) 14.036 2.039 ( -4.780 0.000 -6.329) 7.931 2.115 ( -12.903 0.000 -4.773) 13.757 2.390 ( -1.030 0.000 4.344) 4.465 2.430 ( -5.452 0.000 -11.885) 13.076 2.630 ( 9.002 0.000 2.672) 9.390 2.802 ( 0.586 0.000 -4.392) 4.431 3.036 ( 3.626 0.000 0.715) 3.696 3.041 ( 5.329 0.000 6.275) 8.232 3.218 ( -6.025 0.000 -1.343) 6.173 3.419 ( -8.706 0.000 -4.612) 9.853 3.633 ( 7.221 0.000 8.390) 11.070 3.841 ( -3.254 0.000 -0.909) 3.379 3.977 ( 1.310 0.000 2.802) 3.093 4.045 ( 5.572 0.000 0.626) 5.607 4.250 ( -2.814 0.000 4.704) 5.481 4.278 ( 2.156 0.000 1.437) 2.591 4.435 ( -1.467 0.000 0.831) 1.686 4.497 ( -0.390 0.000 -0.975) 1.050 4.622 ( 2.639 0.000 10.165) 10.502 4.627 ( -5.314 0.000 -1.281) 5.466 4.710 ( 0.669 0.000 1.009) 1.211 4.710 ( 4.060 0.000 4.234) 5.867 4.907 ( 1.865 0.000 -4.578) 4.943 4.934 ( -5.758 0.000 -0.663) 5.796 5.117 ( 7.773 0.000 2.114) 8.055 5.209 ( 0.616 0.000 -2.214) 2.298 5.317 ( 8.896 0.000 2.781) 9.321 5.446 ( -2.633 0.000 -4.729) 5.413 5.455 ( 1.695 0.000 1.313) 2.144 5.556 ( 0.367 0.000 -2.842) 2.865 5.771 ( -8.406 0.000 -3.060) 8.946 5.799 ( -7.359 0.000 1.815) 7.579 5.898 ( -7.426 0.000 0.140) 7.427 5.969 ( -4.976 0.000 5.080) 7.112 6.186 ( 0.410 0.000 2.307) 2.343 6.228 ( -3.339 0.000 -4.092) 5.281 6.243 ( 0.020 0.000 2.302) 2.302 6.435 ( -5.048 0.000 -0.063) 5.048 6.439 ( -5.019 0.000 -0.763) 5.076 6.505 ( -6.751 0.000 -4.385) 8.050 6.575 ( -6.407 0.000 2.407) 6.844 6.695 ( -9.295 0.000 -0.603) 9.315 6.930 ( -4.589 0.000 -0.156) 4.592 6.936 ( -4.638 0.000 -1.769) 4.964 7.190 ( -5.194 0.000 -4.040) 6.580 7.217 ( -3.206 0.000 -5.589) 6.443 7.878 ( -6.025 0.000 -1.692) 6.258 7.933 ( -9.706 0.000 -0.820) 9.741 7.961 ( -7.145 0.000 1.403) 7.282 8.017 ( -4.376 0.000 -1.174) 4.530 8.220 ( -0.340 0.000 2.424) 2.448 8.417 ( -12.138 0.000 4.064) 12.800 8.453 ( -3.468 0.000 1.223) 3.677 8.518 ( -5.898 0.000 -2.197) 6.294 8.520 ( -8.755 0.000 4.023) 9.635 8.671 ( -10.175 0.000 7.896) 12.879 8.842 ( -9.894 0.000 -2.809) 10.285 8.975 ( -11.512 0.000 -5.533) 12.772 9.482 ( -2.401 0.000 -0.219) 2.411 9.720 ( -5.391 0.000 -2.899) 6.121 10.147 ( -2.706 0.000 -8.870) 9.273 10.340 ( 7.798 0.000 3.635) 8.604 10.639 ( -1.398 0.000 0.661) 1.546 10.766 ( 0.171 0.000 -0.968) 0.983 11.111 ( -0.659 0.000 2.013) 2.118 11.123 ( 8.313 0.000 0.866) 8.358 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -2.365 0.556 24.953) 25.071 1.033 ( 3.981 8.966 19.081) 21.455 1.565 ( 2.155 -17.448 2.525) 17.761 1.622 ( -3.499 -13.012 2.969) 13.798 1.726 ( 3.772 12.376 14.290) 19.277 1.904 ( -0.070 0.539 -7.099) 7.120 1.934 ( 1.807 2.186 -2.920) 4.071 2.090 ( -2.782 3.777 -7.221) 8.611 2.221 ( -2.946 -2.750 -9.772) 10.570 2.526 ( -1.391 1.031 3.362) 3.782 2.699 ( -1.342 -1.955 1.322) 2.715 2.807 ( -1.214 -0.510 -2.968) 3.246 3.082 ( -0.909 4.645 1.788) 5.059 3.198 ( 7.126 5.395 -4.674) 10.086 3.259 ( 0.060 5.367 1.763) 5.650 3.350 ( -3.985 4.849 0.166) 6.279 3.650 ( 5.849 -4.876 5.664) 9.490 3.773 ( -3.217 -3.961 3.452) 6.160 3.976 ( 1.553 -4.035 1.583) 4.605 3.992 ( -8.168 -2.533 4.923) 9.867 4.193 ( 6.337 -3.011 -0.035) 7.016 4.306 ( -1.110 -4.315 2.068) 4.912 4.367 ( 0.252 4.438 2.667) 5.184 4.513 ( -1.470 -0.499 1.642) 2.260 4.573 ( 0.897 4.777 2.952) 5.687 4.613 ( -4.744 -0.236 -2.738) 5.482 4.783 ( 0.933 0.516 2.460) 2.681 4.842 ( -1.517 -0.212 1.274) 1.992 4.916 ( 6.009 -0.125 1.362) 6.163 4.972 ( 0.563 3.375 0.683) 3.489 5.080 ( -3.633 -6.110 -3.020) 7.723 5.292 ( -4.951 -4.902 -0.105) 6.968 5.399 ( 8.943 5.080 1.070) 10.341 5.490 ( -4.292 0.675 -0.893) 4.436 5.526 ( 6.367 -0.087 0.462) 6.384 5.607 ( 4.362 -0.097 1.005) 4.477 5.642 ( -6.646 -1.516 -1.285) 6.937 5.653 ( 1.052 0.249 0.637) 1.254 5.744 ( -1.082 -0.843 0.496) 1.459 5.796 ( -1.039 -2.661 0.744) 2.952 6.219 ( 1.362 1.093 0.506) 1.818 6.256 ( 1.396 -0.100 -0.296) 1.431 6.349 ( 3.858 1.084 -0.265) 4.016 6.383 ( 0.812 0.143 -0.379) 0.907 6.391 ( 1.756 0.176 -1.006) 2.031 6.416 ( -2.018 -0.577 -1.262) 2.449 6.482 ( -3.369 3.249 0.020) 4.680 6.596 ( -0.123 0.140 -1.052) 1.069 6.874 ( -1.506 1.618 -0.570) 2.283 6.918 ( -0.143 0.841 -1.729) 1.928 7.121 ( -0.282 1.466 -1.934) 2.443 7.171 ( -0.269 1.221 -3.365) 3.590 7.798 ( 0.639 0.867 -0.619) 1.242 7.809 ( -0.819 1.287 -0.832) 1.737 7.889 ( -1.835 2.371 0.107) 3.000 7.977 ( -0.312 0.542 -1.874) 1.975 8.199 ( 0.516 -3.151 2.535) 4.077 8.255 ( -3.620 0.661 4.614) 5.902 8.313 ( -1.666 -3.723 1.962) 4.526 8.359 ( -1.328 -0.666 5.228) 5.435 8.530 ( 2.047 4.369 1.022) 4.932 8.726 ( 1.462 -1.577 -3.814) 4.379 8.828 ( -0.719 0.884 -4.895) 5.026 8.912 ( 7.939 2.923 -4.191) 9.441 9.491 ( -0.504 2.641 -1.374) 3.019 9.616 ( -1.243 -3.436 2.145) 4.237 10.050 ( 1.314 -2.251 -11.232) 11.530 10.315 ( 0.481 -9.429 -9.866) 13.655 10.733 ( -0.582 7.273 1.231) 7.399 10.899 ( -0.187 5.410 -2.067) 5.794 11.083 ( -0.319 -0.869 2.045) 2.245 11.237 ( -1.138 -3.473 -2.523) 4.441 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 10.585 -0.209 22.234) 24.626 1.288 ( 15.766 7.439 15.611) 23.401 1.582 ( 2.569 -16.521 4.027) 17.197 1.775 ( 11.870 -9.399 3.618) 15.567 1.876 ( 10.552 6.192 7.354) 14.275 2.028 ( 9.731 -0.445 -8.964) 13.238 2.098 ( 8.367 7.432 4.731) 12.150 2.112 ( 10.681 -0.944 -8.391) 13.615 2.212 ( 4.545 -3.055 -9.701) 11.140 2.450 ( -3.695 1.642 1.414) 4.284 2.607 ( -4.864 0.843 -0.125) 4.938 2.750 ( -3.257 -0.677 -1.811) 3.788 3.136 ( 4.749 5.928 1.195) 7.689 3.200 ( -3.356 4.574 2.042) 6.030 3.263 ( -4.471 4.046 2.303) 6.455 3.368 ( 7.255 1.889 -5.308) 9.186 3.667 ( -2.961 -2.308 5.672) 6.802 3.824 ( 0.158 -0.777 4.176) 4.251 3.867 ( 0.822 -6.890 0.642) 6.969 4.052 ( 4.009 -1.724 4.882) 6.548 4.218 ( -5.627 -0.186 -4.139) 6.988 4.310 ( -0.428 -3.023 6.276) 6.979 4.375 ( 1.308 2.104 4.141) 4.825 4.474 ( -2.001 -2.816 0.352) 3.473 4.519 ( -2.257 3.450 -2.917) 5.050 4.607 ( 1.059 2.266 5.115) 5.694 4.759 ( -2.269 0.306 1.919) 2.988 4.798 ( -1.208 -0.174 2.869) 3.117 4.917 ( -2.629 -4.183 0.258) 4.947 5.014 ( -2.264 0.030 -1.006) 2.478 5.032 ( 5.015 -0.264 0.965) 5.114 5.146 ( -6.467 -0.501 -0.901) 6.549 5.292 ( -5.869 0.368 -0.502) 5.902 5.403 ( -6.026 -4.224 -3.589) 8.187 5.510 ( -0.981 1.248 -0.497) 1.663 5.563 ( -3.468 -0.174 -0.195) 3.478 5.722 ( 5.159 -1.395 -1.622) 5.585 5.768 ( 4.784 -2.087 1.268) 5.371 5.908 ( 14.011 1.184 1.089) 14.103 6.034 ( 12.121 -0.925 1.542) 12.254 6.214 ( -3.088 1.150 -0.568) 3.344 6.246 ( 0.884 -0.042 -0.674) 1.113 6.356 ( 2.580 3.649 -1.138) 4.612 6.435 ( 4.767 0.086 -0.482) 4.792 6.446 ( 4.508 -0.719 0.185) 4.569 6.488 ( 6.929 -1.146 -2.237) 7.371 6.578 ( 7.651 2.985 -0.582) 8.233 6.719 ( 9.254 -0.911 0.196) 9.301 6.875 ( 2.953 2.118 -1.425) 3.904 6.953 ( 3.843 -1.148 -1.278) 4.210 7.181 ( 5.767 4.048 -1.324) 7.169 7.250 ( 6.445 1.614 -2.962) 7.275 7.851 ( 2.540 1.742 1.812) 3.573 7.905 ( 8.929 2.047 -0.368) 9.168 7.955 ( 5.613 1.628 0.920) 5.916 8.016 ( 4.121 2.789 0.047) 4.976 8.227 ( 2.886 -2.972 3.489) 5.416 8.322 ( 4.637 -4.584 -0.687) 6.556 8.374 ( 2.255 1.211 4.923) 5.549 8.410 ( 15.610 0.118 2.854) 15.869 8.657 ( 11.102 3.347 2.384) 11.838 8.784 ( 4.528 -2.386 -6.404) 8.198 8.914 ( 9.813 2.556 -4.518) 11.101 9.147 ( 13.254 -1.806 -6.357) 14.810 9.519 ( 3.734 1.677 -1.768) 4.459 9.629 ( 2.508 -4.780 4.043) 6.744 10.090 ( 2.602 -1.670 -8.208) 8.770 10.284 ( -1.308 -4.018 -6.841) 8.041 10.725 ( 0.464 7.501 1.525) 7.668 10.872 ( -2.097 5.048 -0.276) 5.473 11.033 ( -2.867 -4.073 3.107) 5.871 11.094 ( -6.197 -2.206 -0.831) 6.631 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 15.697 -1.099 16.462) 22.773 1.582 ( 11.206 4.075 8.697) 14.759 1.711 ( 9.000 -7.432 9.309) 14.930 1.947 ( 5.719 0.488 -3.679) 6.818 2.106 ( 6.981 -5.620 -4.567) 10.059 2.231 ( 11.341 -7.387 -0.313) 13.538 2.297 ( 9.272 2.667 -1.289) 9.734 2.327 ( 7.686 2.396 -0.184) 8.053 2.472 ( 14.133 -0.988 -2.269) 14.348 2.525 ( 12.062 -1.690 -1.597) 12.285 2.584 ( 4.473 5.219 -0.010) 6.874 2.723 ( 2.952 2.186 -1.718) 4.055 3.098 ( -6.606 4.254 1.625) 8.024 3.170 ( 0.325 4.627 -4.505) 6.466 3.290 ( 5.132 1.325 5.979) 7.990 3.461 ( 1.698 -5.139 -4.054) 6.762 3.624 ( -1.036 3.019 5.626) 6.468 3.727 ( -5.751 -2.991 -0.266) 6.487 3.893 ( -3.145 1.030 1.542) 3.651 4.035 ( -9.426 5.026 -3.825) 11.346 4.105 ( -0.388 -3.838 5.021) 6.332 4.190 ( -9.499 -5.185 4.421) 11.690 4.366 ( -2.883 0.423 2.754) 4.009 4.479 ( 2.283 2.447 5.736) 6.641 4.519 ( 1.544 0.267 -0.227) 1.583 4.652 ( 4.068 0.503 3.553) 5.425 4.761 ( 2.743 4.053 1.962) 5.273 4.856 ( 6.171 -4.342 4.796) 8.940 4.890 ( -2.497 -3.781 0.644) 4.577 4.958 ( 0.386 -1.095 -0.905) 1.473 5.122 ( 4.667 -1.131 -2.163) 5.267 5.141 ( 2.893 -2.868 2.680) 4.876 5.251 ( 1.971 -0.827 -1.976) 2.911 5.332 ( -0.321 -3.605 -4.832) 6.037 5.482 ( -0.351 2.200 -0.538) 2.292 5.575 ( 4.167 -0.221 -1.044) 4.301 5.844 ( 5.124 -0.058 -0.704) 5.172 5.883 ( 6.756 -1.500 0.707) 6.957 6.102 ( 3.964 0.812 -0.648) 4.098 6.139 ( -1.205 -0.010 -1.366) 1.821 6.213 ( 7.596 1.390 3.353) 8.418 6.305 ( 3.665 -2.200 2.151) 4.785 6.465 ( 5.198 3.873 -1.345) 6.620 6.546 ( 4.987 -0.842 -0.722) 5.109 6.565 ( 6.519 -0.209 -1.560) 6.706 6.639 ( 7.215 -1.404 -3.928) 8.334 6.731 ( 6.810 3.890 0.254) 7.846 6.912 ( 8.513 -1.433 0.301) 8.638 7.006 ( 8.565 1.402 -1.521) 8.811 7.086 ( 8.657 -1.198 -2.182) 9.008 7.320 ( 6.808 4.374 -2.195) 8.385 7.384 ( 6.091 2.028 -3.179) 7.164 7.898 ( 2.203 2.005 5.179) 5.975 7.991 ( 2.122 -1.134 5.123) 5.660 8.131 ( 6.998 5.146 -0.999) 8.743 8.145 ( 6.835 1.840 -1.160) 7.173 8.293 ( 3.636 -0.542 3.731) 5.238 8.418 ( 2.259 3.159 3.638) 5.321 8.469 ( 8.721 -1.589 -0.703) 8.892 8.758 ( 9.077 -7.458 -2.680) 12.050 8.962 ( 15.703 2.812 1.111) 15.991 9.055 ( 25.606 3.208 -0.251) 25.807 9.257 ( 23.139 -0.217 -4.794) 23.631 9.412 ( 12.650 1.526 -5.033) 13.699 9.654 ( 8.556 0.311 -2.153) 8.828 9.731 ( 7.540 -6.822 6.565) 12.103 10.163 ( 5.760 1.330 -0.195) 5.914 10.338 ( 6.629 -3.290 -7.286) 10.385 10.769 ( 3.566 5.854 -0.244) 6.859 10.835 ( -0.930 2.271 0.970) 2.639 10.984 ( -1.680 -3.015 -0.901) 3.567 11.058 ( 1.314 -3.627 -0.451) 3.884 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 12.818 -1.848 12.324) 17.877 1.775 ( 7.520 -1.493 4.335) 8.808 1.910 ( 8.450 1.373 10.351) 13.433 2.038 ( 3.136 0.163 -3.639) 4.806 2.221 ( 4.623 -2.779 -7.099) 8.916 2.327 ( 1.753 -5.321 2.384) 6.088 2.445 ( 4.337 0.039 -4.002) 5.901 2.493 ( 3.851 -1.688 0.747) 4.271 2.651 ( 7.142 0.248 -0.983) 7.213 2.705 ( 8.534 -1.914 1.186) 8.826 2.824 ( 8.539 3.370 -0.647) 9.202 2.869 ( 4.580 3.947 -2.963) 6.733 3.010 ( 2.122 3.763 1.911) 4.724 3.229 ( 5.492 2.245 -4.720) 7.582 3.331 ( -2.392 -4.198 2.231) 5.322 3.459 ( -1.651 -5.019 -0.927) 5.364 3.606 ( -2.256 2.340 -2.002) 3.817 3.671 ( 3.308 1.656 1.290) 3.918 3.752 ( -8.133 2.765 0.613) 8.612 3.872 ( -5.884 4.467 -0.265) 7.393 4.017 ( -5.050 -3.899 4.296) 7.691 4.102 ( 0.381 -0.246 5.505) 5.523 4.287 ( -4.089 3.183 6.069) 7.980 4.541 ( 1.727 -4.833 8.575) 9.993 4.545 ( 1.243 5.549 -2.330) 6.146 4.722 ( 2.945 0.193 3.851) 4.852 4.815 ( -2.770 -3.376 1.028) 4.486 4.915 ( 9.413 0.182 3.429) 10.020 4.978 ( 2.170 -2.275 4.082) 5.153 5.029 ( 4.978 -7.230 1.397) 8.888 5.171 ( 2.227 -2.997 -0.408) 3.756 5.240 ( 5.794 -2.077 -2.584) 6.675 5.339 ( 4.608 -1.723 -3.767) 6.196 5.361 ( 2.248 -1.758 -4.753) 5.544 5.529 ( 3.996 4.913 0.418) 6.347 5.671 ( 4.195 -0.311 -0.557) 4.243 5.929 ( 3.460 0.898 -0.532) 3.614 6.022 ( 5.702 -1.914 1.297) 6.153 6.115 ( -0.748 1.612 -2.346) 2.944 6.157 ( 2.147 0.615 -0.994) 2.444 6.379 ( 5.915 -0.907 0.515) 6.006 6.398 ( 5.711 -1.637 4.659) 7.550 6.563 ( 4.405 4.360 0.890) 6.262 6.646 ( 4.646 -0.622 0.663) 4.734 6.676 ( 4.103 -1.348 -1.221) 4.488 6.774 ( 5.793 -2.729 -3.853) 7.474 6.841 ( 3.646 4.188 -0.621) 5.587 7.045 ( 4.011 -2.197 -1.713) 4.884 7.178 ( 7.348 2.471 -0.560) 7.773 7.277 ( 9.038 -0.014 -3.314) 9.627 7.437 ( 4.243 3.664 -3.671) 6.701 7.492 ( 4.311 2.226 -3.226) 5.826 7.955 ( 2.864 2.504 7.888) 8.758 8.046 ( 2.578 -0.950 6.443) 7.004 8.201 ( 1.560 3.477 -0.073) 3.812 8.267 ( 4.081 -0.698 -1.174) 4.304 8.380 ( 4.216 2.029 4.498) 6.490 8.473 ( 2.697 5.343 2.190) 6.373 8.641 ( 6.998 -1.033 -2.260) 7.426 8.869 ( 4.144 -5.590 -6.288) 9.378 9.278 ( 12.975 3.785 4.696) 14.309 9.470 ( 11.016 1.490 -1.015) 11.163 9.668 ( 9.787 -3.958 0.307) 10.562 9.781 ( 21.709 1.215 -0.576) 21.750 9.875 ( 13.366 -1.462 -2.654) 13.705 9.960 ( 15.650 -1.198 3.233) 16.025 10.328 ( 8.794 1.539 2.324) 9.225 10.505 ( 8.525 -4.880 -6.178) 11.604 10.832 ( 2.012 1.917 0.823) 2.899 10.872 ( 4.476 1.481 -2.983) 5.579 10.970 ( 0.327 -0.868 -1.128) 1.460 11.087 ( 0.805 -2.245 -3.018) 3.846 ======================= Grid point 103 (56/96) ======================= q-point: ( 0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 1.169 -3.130 8.184) 8.839 1.905 ( 4.173 -5.488 2.912) 7.485 2.031 ( 1.479 2.805 8.712) 9.272 2.092 ( 3.896 1.317 0.830) 4.195 2.280 ( 1.419 -1.613 -0.837) 2.306 2.343 ( -0.221 -0.395 -2.193) 2.240 2.491 ( 0.632 -1.081 -4.483) 4.654 2.531 ( 1.020 -2.498 0.331) 2.719 2.785 ( 3.593 -1.188 -3.268) 5.000 2.834 ( 5.664 -1.504 -0.296) 5.868 2.863 ( -0.683 4.330 -0.769) 4.451 2.925 ( 0.741 4.637 -0.823) 4.768 3.078 ( 0.384 -0.377 1.030) 1.163 3.234 ( -3.317 -4.929 1.015) 6.027 3.366 ( -2.360 0.462 -4.013) 4.678 3.399 ( 4.352 -1.663 -0.386) 4.675 3.584 ( -3.599 5.427 -1.659) 6.720 3.650 ( 0.932 2.477 -1.445) 3.015 3.753 ( 2.296 -0.304 -0.280) 2.333 3.807 ( 0.850 -1.888 1.170) 2.379 3.984 ( 0.274 3.774 5.049) 6.309 4.138 ( 2.308 2.436 7.209) 7.952 4.235 ( -0.667 4.445 7.231) 8.514 4.491 ( -4.316 -1.986 2.170) 5.223 4.608 ( 2.462 0.506 5.858) 6.375 4.735 ( -1.640 -2.483 1.816) 3.486 4.845 ( 5.155 -5.291 2.955) 7.956 4.942 ( -3.929 -5.027 4.638) 7.888 5.066 ( 3.416 -1.030 2.754) 4.508 5.120 ( 3.053 -4.198 0.530) 5.218 5.244 ( 2.763 -1.993 -1.221) 3.619 5.322 ( 1.583 -2.868 -2.415) 4.070 5.382 ( 0.507 -0.730 -5.914) 5.980 5.419 ( 3.182 -0.743 -4.737) 5.755 5.600 ( 1.870 4.181 1.870) 4.947 5.732 ( 1.538 -0.864 0.367) 1.802 5.985 ( 1.753 1.787 -0.468) 2.546 6.094 ( -1.184 1.624 -2.582) 3.272 6.108 ( 2.249 -0.843 1.412) 2.786 6.184 ( 0.123 -0.336 -0.910) 0.977 6.456 ( 1.920 0.605 1.863) 2.743 6.501 ( 2.968 -1.824 0.837) 3.583 6.639 ( 2.338 3.535 2.198) 4.774 6.709 ( -0.054 -1.342 3.573) 3.817 6.748 ( 3.340 -0.510 -0.657) 3.442 6.849 ( 1.274 1.730 -3.387) 4.011 6.907 ( 3.365 -1.853 -2.184) 4.419 7.084 ( 0.246 -2.992 -3.497) 4.609 7.293 ( 3.463 4.297 0.493) 5.541 7.427 ( 4.778 0.933 -3.292) 5.877 7.486 ( 0.704 4.536 -3.388) 5.705 7.559 ( 2.223 0.668 -3.929) 4.563 8.008 ( 1.510 2.778 8.606) 9.169 8.087 ( 0.894 -0.251 6.487) 6.553 8.217 ( 0.127 2.819 -0.206) 2.829 8.318 ( 0.992 -2.028 -0.880) 2.423 8.467 ( 3.616 1.523 6.693) 7.759 8.514 ( 0.858 6.438 1.046) 6.579 8.732 ( 1.877 -1.165 -4.741) 5.230 8.939 ( 2.367 -4.105 -5.183) 7.023 9.481 ( 5.981 3.733 4.762) 8.508 9.613 ( 3.683 1.808 0.133) 4.105 9.751 ( 0.262 -1.930 3.595) 4.089 9.996 ( 3.403 -10.746 -0.907) 11.308 10.181 ( 10.061 4.167 0.790) 10.919 10.264 ( 8.777 3.094 -2.105) 9.542 10.468 ( 3.484 0.828 2.477) 4.354 10.631 ( 2.722 -4.010 -3.500) 5.978 10.883 ( 2.179 0.014 -1.210) 2.492 10.923 ( 0.155 -2.211 -0.360) 2.245 11.032 ( 5.690 0.882 -3.646) 6.815 11.071 ( -2.292 0.024 -4.849) 5.364 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -6.936 -2.593 6.542) 9.881 1.929 ( -1.365 -9.184 0.725) 9.313 1.969 ( -6.923 4.434 8.565) 11.872 2.198 ( 4.155 -0.999 6.149) 7.488 2.253 ( -3.383 0.158 0.219) 3.394 2.368 ( 2.147 -0.493 -2.460) 3.302 2.473 ( -1.702 0.239 -4.851) 5.146 2.552 ( 0.624 -2.869 -1.959) 3.529 2.765 ( -5.466 4.876 -3.588) 8.156 2.799 ( -2.275 1.169 -1.784) 3.118 2.897 ( 0.745 2.536 -0.335) 2.664 2.967 ( -3.495 -2.012 0.943) 4.142 3.064 ( 1.828 -1.202 0.021) 2.188 3.196 ( -1.574 -2.288 0.718) 2.869 3.278 ( -4.426 1.882 -1.593) 5.067 3.442 ( -1.762 -4.051 0.865) 4.501 3.539 ( 0.209 4.443 -1.497) 4.693 3.715 ( 4.489 3.131 -4.030) 6.797 3.769 ( 1.210 -1.108 -0.439) 1.699 3.879 ( 4.644 -3.585 -0.173) 5.869 3.997 ( 0.633 6.310 7.463) 9.793 4.177 ( 1.498 3.766 8.184) 9.133 4.263 ( 1.375 6.182 0.793) 6.383 4.398 ( -3.530 -4.088 5.891) 7.992 4.633 ( -0.456 0.577 4.946) 5.000 4.727 ( 1.045 -3.387 3.142) 4.737 4.850 ( -4.258 -3.300 4.583) 7.073 4.961 ( 4.917 -6.942 2.558) 8.883 5.052 ( -4.041 -2.035 2.054) 4.969 5.133 ( -2.515 -4.491 0.520) 5.173 5.239 ( -2.294 -2.432 -0.669) 3.409 5.299 ( -3.761 -2.226 -3.628) 5.680 5.378 ( -0.920 2.175 -5.274) 5.779 5.472 ( 1.591 -1.838 -4.965) 5.528 5.590 ( -2.767 3.760 2.624) 5.356 5.730 ( -1.823 -1.420 0.479) 2.360 5.995 ( -0.847 1.826 0.049) 2.014 6.052 ( -2.407 2.082 -2.522) 4.061 6.125 ( -0.891 -1.290 1.481) 2.157 6.153 ( -2.896 -0.410 -1.072) 3.115 6.459 ( -1.751 1.902 1.312) 2.899 6.517 ( -1.216 -1.048 0.425) 1.660 6.633 ( -3.965 1.616 4.736) 6.384 6.661 ( -3.291 -1.423 0.934) 3.705 6.783 ( -0.046 1.461 -2.249) 2.683 6.855 ( -0.694 3.153 -0.340) 3.246 6.955 ( 0.719 -4.780 -2.940) 5.658 7.061 ( -2.367 -3.748 -4.595) 6.385 7.310 ( -2.109 5.191 1.122) 5.714 7.441 ( -2.856 4.209 -3.592) 6.226 7.482 ( -1.315 2.738 -2.861) 4.172 7.563 ( -2.119 -0.617 -4.276) 4.812 8.020 ( -0.487 2.354 7.661) 8.030 8.095 ( -0.127 -0.079 6.773) 6.775 8.211 ( -0.633 2.539 -0.292) 2.633 8.307 ( -2.019 -2.156 -0.991) 3.115 8.503 ( -1.945 7.233 0.463) 7.504 8.523 ( 1.347 0.509 8.166) 8.292 8.723 ( -2.373 -1.046 -4.252) 4.980 8.939 ( -2.489 -4.041 -5.315) 7.126 9.522 ( -2.154 4.073 4.428) 6.390 9.619 ( -3.701 0.593 1.023) 3.885 9.700 ( -5.343 -0.421 3.871) 6.612 9.997 ( -3.300 -10.361 -2.925) 11.260 10.192 ( -8.775 3.384 1.083) 9.467 10.274 ( -7.432 3.081 -1.415) 8.169 10.454 ( -4.770 -0.026 1.641) 5.045 10.598 ( -5.651 -3.163 -3.430) 7.328 10.877 ( -2.090 -0.216 0.904) 2.288 10.935 ( 0.374 -0.859 -3.331) 3.460 10.996 ( -3.883 2.848 -4.647) 6.692 11.130 ( 2.706 -3.004 -2.683) 4.852 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -10.861 -0.613 8.097) 13.561 1.777 ( -11.407 7.243 11.121) 17.500 1.864 ( -4.672 -11.487 0.194) 12.402 2.167 ( -4.451 -6.880 3.200) 8.797 2.241 ( -0.889 -0.008 0.836) 1.221 2.317 ( -8.545 -2.842 -6.027) 10.836 2.454 ( -0.304 4.005 -2.434) 4.697 2.535 ( -2.018 0.694 -3.087) 3.753 2.660 ( -6.323 3.024 0.849) 7.060 2.718 ( -14.434 0.705 3.403) 14.846 2.759 ( -1.347 2.921 -3.517) 4.766 2.928 ( -2.545 -1.515 -1.380) 3.268 3.010 ( -6.759 3.596 0.371) 7.665 3.091 ( -7.218 3.870 -1.547) 8.335 3.246 ( 1.361 -3.577 0.917) 3.936 3.414 ( -0.248 -6.609 1.632) 6.812 3.556 ( 0.983 3.774 -1.086) 4.048 3.793 ( 3.716 -4.004 -1.683) 5.716 3.848 ( 5.247 2.409 -1.347) 5.928 3.999 ( 5.632 1.136 -0.124) 5.747 4.047 ( 5.158 1.165 5.377) 7.541 4.223 ( 2.339 2.464 5.962) 6.862 4.233 ( -1.888 6.132 0.792) 6.465 4.389 ( 0.605 -3.922 4.461) 5.970 4.616 ( -0.833 1.155 3.605) 3.876 4.738 ( -1.820 -2.833 4.949) 5.986 4.792 ( -0.648 -0.779 2.956) 3.125 4.936 ( -5.972 -0.729 3.892) 7.166 5.027 ( -3.397 -8.421 -0.953) 9.131 5.050 ( 0.161 -3.691 4.492) 5.816 5.163 ( -6.179 -1.148 -3.232) 7.067 5.192 ( -4.621 -2.342 -1.701) 5.452 5.306 ( -5.788 2.933 -4.884) 8.121 5.467 ( -2.099 -3.216 -3.732) 5.355 5.521 ( -2.596 4.041 1.768) 5.118 5.664 ( -4.152 -0.987 -0.623) 4.313 5.958 ( -2.408 0.204 -0.330) 2.439 5.998 ( -2.888 0.190 -0.679) 2.972 6.059 ( -4.250 -0.364 -1.112) 4.408 6.095 ( -2.885 0.527 1.004) 3.100 6.381 ( -5.573 2.406 1.226) 6.193 6.465 ( -3.973 -0.621 1.406) 4.260 6.504 ( -7.002 1.401 3.388) 7.904 6.594 ( -3.524 -2.283 -0.629) 4.246 6.737 ( -4.733 2.939 -3.529) 6.594 6.805 ( -4.275 0.833 0.899) 4.447 6.902 ( -6.214 -3.136 -3.656) 7.862 6.988 ( -4.017 -3.978 -3.691) 6.752 7.212 ( -6.919 4.992 1.635) 8.687 7.336 ( -7.342 6.962 -3.376) 10.667 7.400 ( -5.744 -1.268 -2.858) 6.540 7.484 ( -4.585 0.855 -4.092) 6.205 8.003 ( -1.442 1.942 5.698) 6.191 8.089 ( -1.011 -0.876 6.439) 6.576 8.190 ( -1.417 1.965 -0.431) 2.461 8.238 ( -4.317 -1.531 -1.082) 4.706 8.436 ( -4.431 8.183 0.368) 9.313 8.533 ( -0.570 0.067 9.003) 9.022 8.639 ( -5.220 -1.084 -1.580) 5.560 8.832 ( -7.264 -4.531 -6.211) 10.577 9.400 ( -13.106 2.847 5.116) 14.354 9.411 ( -13.512 2.241 0.665) 13.713 9.543 ( -10.949 -1.461 -1.978) 11.222 9.800 ( -18.313 -4.222 -2.955) 19.024 9.886 ( -17.070 3.102 0.829) 17.369 10.038 ( -11.647 0.098 0.759) 11.672 10.301 ( -8.834 -2.093 -0.313) 9.084 10.428 ( -8.893 -2.731 -4.199) 10.207 10.827 ( -2.437 1.878 0.777) 3.173 10.871 ( -4.808 1.997 -3.614) 6.338 10.971 ( 0.613 -0.109 -1.956) 2.053 11.136 ( -1.593 -4.255 -1.354) 4.741 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -12.817 1.504 11.952) 17.590 1.526 ( -13.412 9.314 14.506) 21.842 1.746 ( -6.539 -13.695 0.607) 15.188 2.026 ( -18.226 1.122 1.173) 18.299 2.045 ( -8.595 -10.544 2.450) 13.822 2.167 ( -5.906 -1.441 -2.937) 6.752 2.309 ( -14.397 5.041 -3.652) 15.685 2.425 ( -8.897 2.192 -2.995) 9.640 2.469 ( -8.563 0.225 -0.157) 8.567 2.528 ( -2.664 -0.404 1.369) 3.022 2.702 ( -10.516 4.624 -4.692) 12.409 2.780 ( 1.575 0.305 -2.699) 3.140 2.992 ( 2.216 2.817 0.886) 3.692 3.025 ( 1.105 6.722 1.705) 7.022 3.264 ( -0.472 -5.774 1.674) 6.030 3.428 ( 1.214 -7.227 1.636) 7.509 3.580 ( 1.041 5.117 -0.287) 5.230 3.867 ( 2.310 -5.055 0.268) 5.564 3.929 ( 2.513 1.081 -0.226) 2.745 4.028 ( -1.743 5.317 -0.417) 5.611 4.187 ( 6.556 1.059 2.128) 6.974 4.275 ( 3.498 0.619 5.981) 6.957 4.299 ( 4.101 -3.636 4.386) 7.020 4.374 ( -0.752 -2.557 2.574) 3.706 4.622 ( 1.987 1.183 3.536) 4.225 4.677 ( -3.671 -2.436 1.933) 4.811 4.758 ( -3.301 0.905 0.504) 3.460 4.835 ( -4.189 2.126 2.682) 5.409 4.972 ( -1.298 -1.024 5.048) 5.312 5.002 ( -5.339 -1.820 -1.816) 5.926 5.064 ( -0.862 -1.205 -3.297) 3.615 5.138 ( -1.014 -5.129 0.286) 5.236 5.185 ( -2.570 1.755 -3.161) 4.436 5.422 ( -1.148 -4.814 -1.639) 5.213 5.494 ( -0.437 2.379 -0.300) 2.437 5.579 ( -3.241 0.545 -2.294) 4.007 5.886 ( -5.217 -1.319 -1.854) 5.692 5.922 ( -3.814 -1.745 0.755) 4.262 6.009 ( -0.768 1.897 -0.130) 2.051 6.029 ( -3.477 1.522 2.074) 4.326 6.249 ( -6.468 0.852 0.965) 6.595 6.315 ( -8.740 -0.918 5.739) 10.496 6.405 ( -4.278 2.691 -3.797) 6.321 6.512 ( -4.256 -1.983 -1.086) 4.819 6.585 ( -8.852 0.805 -2.120) 9.138 6.655 ( -9.768 -2.641 -2.826) 10.506 6.756 ( -6.432 2.317 -0.297) 6.843 6.882 ( -6.325 -2.027 -1.710) 6.858 7.056 ( -7.405 3.060 1.516) 8.155 7.145 ( -9.717 3.735 -2.523) 10.712 7.279 ( -5.735 0.794 -2.394) 6.266 7.373 ( -5.845 1.434 -4.110) 7.288 7.960 ( -3.134 1.136 3.444) 4.793 8.046 ( -3.668 -1.703 4.316) 5.915 8.116 ( -5.847 0.305 -1.297) 5.997 8.164 ( -2.823 1.083 -1.155) 3.237 8.325 ( -6.038 7.085 1.005) 9.363 8.501 ( -3.305 -0.887 8.845) 9.484 8.536 ( -4.398 -0.813 2.242) 5.003 8.660 ( -7.706 -3.736 -3.794) 9.367 8.934 ( -24.999 3.325 -3.899) 25.519 9.130 ( -21.630 -2.207 -0.250) 21.744 9.184 ( -17.287 3.701 -2.287) 17.826 9.327 ( -22.729 0.433 -0.983) 22.755 9.632 ( -7.175 4.640 0.731) 8.576 9.828 ( -9.019 -3.815 0.872) 9.831 10.137 ( -6.036 -3.574 -5.200) 8.732 10.287 ( -3.737 -3.197 -3.067) 5.796 10.764 ( -3.069 5.642 -0.338) 6.431 10.821 ( 0.442 2.920 1.052) 3.135 10.995 ( 2.070 -2.078 -0.848) 3.053 11.088 ( -2.347 -4.641 0.157) 5.203 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -10.258 1.375 19.231) 21.840 1.202 ( -17.465 9.472 15.701) 25.323 1.609 ( -5.861 -14.386 2.828) 15.789 1.734 ( -6.691 7.861 11.454) 15.419 1.802 ( -12.524 -12.248 2.334) 17.672 2.015 ( -7.603 -0.723 -3.924) 8.586 2.033 ( -10.645 2.918 -5.919) 12.524 2.217 ( -9.534 3.780 -5.609) 11.690 2.312 ( -5.197 -1.510 -6.705) 8.616 2.502 ( 1.200 -2.820 1.117) 3.262 2.656 ( 3.190 4.900 0.817) 5.904 2.805 ( 0.739 -0.071 -3.887) 3.957 3.065 ( 3.891 2.969 -0.587) 4.929 3.104 ( 4.697 5.835 4.871) 8.935 3.232 ( -1.418 -0.471 -0.591) 1.607 3.431 ( -2.097 -2.533 0.192) 3.294 3.584 ( 0.284 1.956 3.160) 3.727 3.847 ( -3.564 -3.035 2.314) 5.222 3.960 ( 0.751 -4.091 0.667) 4.213 4.051 ( 4.098 5.985 0.997) 7.322 4.198 ( -7.531 -7.646 4.367) 11.587 4.295 ( 2.018 -3.493 3.825) 5.559 4.340 ( 1.677 2.779 2.364) 4.016 4.473 ( 5.204 -1.589 5.101) 7.458 4.603 ( -2.890 0.715 -0.722) 3.063 4.677 ( -0.719 -0.597 0.593) 1.107 4.737 ( 3.199 2.693 2.614) 4.932 4.774 ( 1.586 3.840 -0.141) 4.157 4.907 ( -3.741 -1.569 0.932) 4.162 4.945 ( -0.048 3.147 0.814) 3.251 5.100 ( 0.070 -7.343 -2.826) 7.869 5.158 ( 8.315 2.112 -0.655) 8.604 5.267 ( 7.067 -2.976 1.912) 7.903 5.407 ( -0.143 -4.605 -3.705) 5.912 5.506 ( 2.065 2.603 0.765) 3.409 5.552 ( 0.351 0.539 -2.830) 2.902 5.751 ( -7.383 0.610 -1.469) 7.552 5.826 ( -6.067 0.214 0.923) 6.141 5.903 ( -8.843 0.240 1.427) 8.961 5.946 ( -8.989 -1.424 3.088) 9.610 6.182 ( 0.165 -0.208 2.036) 2.054 6.197 ( 1.118 -0.825 -0.254) 1.413 6.316 ( -2.482 4.081 -2.767) 5.520 6.424 ( -3.847 -0.564 -0.502) 3.921 6.433 ( -4.975 -0.192 0.081) 4.979 6.475 ( -5.935 -2.561 -3.465) 7.334 6.619 ( -7.046 3.242 0.430) 7.769 6.722 ( -8.653 0.369 -0.781) 8.696 6.930 ( -4.385 1.319 0.666) 4.627 6.976 ( -5.708 1.990 -1.955) 6.354 7.171 ( -4.091 0.849 -2.123) 4.686 7.249 ( -5.490 0.733 -4.159) 6.926 7.866 ( -5.740 0.299 0.368) 5.759 7.921 ( -7.938 -1.257 1.002) 8.099 7.995 ( -5.676 2.009 -0.575) 6.048 8.062 ( -6.940 1.724 -2.467) 7.565 8.217 ( -3.294 0.999 1.917) 3.941 8.389 ( -6.550 -5.149 3.340) 8.976 8.420 ( -8.798 0.735 5.238) 10.265 8.493 ( -8.737 -0.661 3.946) 9.609 8.578 ( -8.679 4.720 -3.669) 10.539 8.740 ( -6.832 1.763 -0.753) 7.096 8.885 ( -8.716 3.508 -3.644) 10.078 8.975 ( -11.348 0.452 -2.578) 11.646 9.531 ( -3.215 3.463 -0.421) 4.744 9.679 ( -5.098 -3.431 1.150) 6.251 10.056 ( -1.631 -3.023 -9.837) 10.419 10.277 ( 2.246 -6.835 -5.594) 9.114 10.736 ( -0.045 7.841 1.709) 8.025 10.867 ( 3.200 6.728 0.101) 7.451 11.052 ( 1.593 -4.542 2.665) 5.502 11.102 ( 7.017 -2.404 0.407) 7.428 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -1.568 -18.140 11.352) 21.456 1.118 ( -1.568 18.140 11.352) 21.456 1.312 ( 0.991 -14.040 10.394) 17.497 1.312 ( 0.991 14.040 10.394) 17.497 1.874 ( 2.139 -2.617 -6.326) 7.172 1.874 ( 2.139 2.617 -6.326) 7.172 2.065 ( -2.061 -5.461 -6.624) 8.829 2.065 ( -2.061 5.461 -6.624) 8.829 2.337 ( -0.234 -11.719 7.137) 13.723 2.337 ( -0.234 11.719 7.137) 13.723 2.768 ( -2.876 -3.474 -1.881) 4.887 2.768 ( -2.876 3.474 -1.881) 4.887 3.203 ( 3.094 -4.706 -0.338) 5.641 3.203 ( 3.094 4.706 -0.338) 5.641 3.376 ( 1.395 -3.468 2.672) 4.595 3.376 ( 1.395 3.468 2.672) 4.595 3.681 ( -0.354 -5.982 0.139) 5.994 3.681 ( -0.354 5.982 0.139) 5.994 3.894 ( -2.072 -3.644 3.522) 5.475 3.894 ( -2.072 3.644 3.522) 5.475 4.215 ( 1.075 -3.753 3.397) 5.175 4.215 ( 1.075 3.753 3.397) 5.175 4.467 ( -0.977 -3.588 1.271) 3.930 4.467 ( -0.977 3.588 1.271) 3.930 4.648 ( -0.240 -1.855 3.624) 4.079 4.648 ( -0.240 1.855 3.624) 4.079 4.798 ( -0.775 -2.796 0.091) 2.902 4.798 ( -0.775 2.796 0.091) 2.903 4.938 ( -0.201 -4.779 -2.590) 5.439 4.938 ( -0.201 4.779 -2.590) 5.439 5.127 ( -0.431 -8.225 1.860) 8.444 5.127 ( -0.431 8.225 1.860) 8.444 5.485 ( 11.106 -2.100 0.197) 11.304 5.485 ( 11.106 2.100 0.197) 11.304 5.566 ( -8.291 -3.099 -0.144) 8.852 5.566 ( -8.291 3.099 -0.144) 8.852 5.647 ( -3.070 -0.969 0.388) 3.243 5.647 ( -3.070 0.969 0.388) 3.243 5.741 ( 2.103 -1.293 -0.058) 2.469 5.741 ( 2.103 1.293 -0.058) 2.469 6.243 ( 2.044 -0.959 -0.372) 2.288 6.243 ( 2.044 0.959 -0.372) 2.288 6.379 ( 1.056 -0.899 -0.468) 1.464 6.379 ( 1.056 0.899 -0.468) 1.464 6.398 ( 0.686 -0.714 -1.972) 2.207 6.398 ( 0.686 0.714 -1.972) 2.207 6.555 ( -1.868 -3.163 -0.631) 3.727 6.555 ( -1.868 3.163 -0.631) 3.727 6.916 ( -1.213 -1.330 -0.232) 1.816 6.916 ( -1.213 1.330 -0.232) 1.816 7.167 ( 0.768 -1.623 -2.292) 2.912 7.167 ( 0.768 1.623 -2.292) 2.912 7.819 ( 0.852 -0.594 -0.099) 1.043 7.819 ( 0.852 0.594 -0.099) 1.043 7.950 ( -1.171 -2.944 -0.731) 3.251 7.950 ( -1.171 2.944 -0.731) 3.251 8.190 ( -1.703 -2.869 1.689) 3.739 8.190 ( -1.703 2.869 1.689) 3.739 8.331 ( -1.612 -1.933 5.175) 5.754 8.331 ( -1.612 1.933 5.175) 5.754 8.646 ( 0.373 -5.260 -4.046) 6.646 8.646 ( 0.373 5.260 -4.046) 6.646 8.894 ( 2.702 -3.687 -1.426) 4.789 8.894 ( 2.702 3.687 -1.426) 4.789 9.546 ( -1.211 -2.519 0.894) 2.935 9.546 ( -1.211 2.519 0.894) 2.935 10.116 ( 1.440 -7.356 -12.955) 14.967 10.116 ( 1.440 7.356 -12.955) 14.967 10.882 ( -0.679 -5.439 1.722) 5.745 10.882 ( -0.679 5.439 1.722) 5.745 11.141 ( -0.430 -4.817 -2.218) 5.321 11.141 ( -0.430 4.817 -2.218) 5.321 ======================= Grid point 110 (62/96) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 6.789 -15.088 12.739) 20.882 1.176 ( 6.789 15.088 12.739) 20.882 1.525 ( 15.876 -11.173 10.070) 21.870 1.525 ( 15.876 11.173 10.070) 21.870 1.987 ( 5.599 -3.381 -7.461) 9.922 1.987 ( 5.599 3.381 -7.461) 9.922 2.119 ( 10.162 -1.972 -9.609) 14.124 2.119 ( 10.162 1.972 -9.609) 14.124 2.343 ( 0.875 -9.371 8.382) 12.603 2.343 ( 0.875 9.371 8.382) 12.603 2.688 ( -2.781 -4.381 -1.599) 5.430 2.688 ( -2.781 4.381 -1.599) 5.430 3.253 ( 0.581 -3.013 0.367) 3.091 3.253 ( 0.581 3.013 0.367) 3.091 3.346 ( -2.646 -4.691 0.240) 5.391 3.346 ( -2.646 4.691 0.240) 5.391 3.692 ( 0.657 -5.896 1.976) 6.253 3.692 ( 0.657 5.896 1.976) 6.253 3.925 ( 3.575 -7.949 4.187) 9.670 3.925 ( 3.575 7.949 4.187) 9.670 4.243 ( -0.827 -2.911 3.376) 4.534 4.243 ( -0.827 2.911 3.376) 4.534 4.418 ( -2.575 -2.286 -0.209) 3.450 4.418 ( -2.575 2.286 -0.209) 3.450 4.633 ( -0.456 -4.247 4.914) 6.511 4.633 ( -0.456 4.247 4.914) 6.511 4.761 ( -2.280 -3.978 0.188) 4.589 4.761 ( -2.280 3.978 0.188) 4.589 4.908 ( -0.914 -4.365 -0.876) 4.545 4.908 ( -0.914 4.365 -0.876) 4.545 5.101 ( -1.354 -3.173 1.685) 3.840 5.101 ( -1.354 3.173 1.685) 3.840 5.329 ( -7.856 -2.558 -3.609) 9.016 5.329 ( -7.856 2.558 -3.609) 9.016 5.539 ( -2.404 -1.397 -0.619) 2.849 5.539 ( -2.404 1.397 -0.619) 2.849 5.719 ( 6.206 -1.287 0.363) 6.348 5.719 ( 6.206 1.287 0.363) 6.348 5.977 ( 12.781 -3.620 1.679) 13.389 5.977 ( 12.781 3.620 1.679) 13.389 6.239 ( -1.872 -0.795 -0.835) 2.198 6.239 ( -1.872 0.795 -0.835) 2.198 6.421 ( 4.138 -1.529 -0.491) 4.438 6.421 ( 4.138 1.529 -0.491) 4.438 6.456 ( 5.963 -1.693 -2.151) 6.561 6.456 ( 5.963 1.693 -2.151) 6.561 6.656 ( 8.201 -3.855 -0.910) 9.108 6.656 ( 8.201 3.855 -0.910) 9.108 6.926 ( 3.063 -1.734 -0.020) 3.520 6.926 ( 3.063 1.734 -0.020) 3.520 7.254 ( 6.535 -1.676 -2.266) 7.116 7.254 ( 6.535 1.676 -2.266) 7.116 7.898 ( 3.735 -1.922 2.384) 4.829 7.898 ( 3.735 1.922 2.384) 4.829 8.027 ( 8.390 -3.109 -1.608) 9.091 8.027 ( 8.390 3.109 -1.608) 9.091 8.216 ( 4.022 -3.430 2.394) 5.803 8.216 ( 4.022 3.430 2.394) 5.803 8.405 ( 8.059 -0.945 3.370) 8.786 8.405 ( 8.059 0.945 3.370) 8.786 8.724 ( 8.363 -2.758 -3.924) 9.641 8.724 ( 8.363 2.758 -3.924) 9.641 9.033 ( 10.854 -7.264 -1.278) 13.123 9.033 ( 10.854 7.264 -1.278) 13.123 9.557 ( 2.497 -2.018 0.812) 3.312 9.557 ( 2.497 2.018 0.812) 3.312 10.149 ( 2.575 -5.996 -10.928) 12.728 10.149 ( 2.575 5.996 -10.928) 12.728 10.888 ( 1.200 -5.953 1.732) 6.315 10.888 ( 1.200 5.953 1.732) 6.315 11.015 ( -8.003 -4.267 0.337) 9.076 11.015 ( -8.003 4.267 0.337) 9.076 ======================= Grid point 112 (63/96) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 12.627 -9.841 11.272) 19.579 1.395 ( 12.627 9.841 11.272) 19.579 1.836 ( 11.730 -9.272 7.209) 16.600 1.836 ( 11.730 9.272 7.209) 16.600 2.096 ( 5.915 -4.177 -6.430) 9.684 2.096 ( 5.915 4.177 -6.430) 9.684 2.345 ( 7.457 -1.621 -4.238) 8.729 2.345 ( 7.457 1.621 -4.238) 8.729 2.476 ( 12.315 -2.375 1.110) 12.591 2.476 ( 12.315 2.375 1.110) 12.591 2.701 ( 5.027 -3.981 -0.792) 6.461 2.701 ( 5.027 3.981 -0.792) 6.461 3.225 ( -2.631 -4.962 0.803) 5.674 3.225 ( -2.631 4.962 0.803) 5.674 3.312 ( -0.339 -6.003 -2.459) 6.496 3.312 ( -0.339 6.003 -2.459) 6.496 3.690 ( -1.150 -2.691 3.118) 4.276 3.690 ( -1.150 2.691 3.118) 4.276 3.968 ( -1.173 -6.114 4.274) 7.551 3.968 ( -1.173 6.114 4.274) 7.551 4.125 ( -8.138 -2.804 0.940) 8.659 4.125 ( -8.138 2.804 0.940) 8.659 4.392 ( -0.346 -3.450 2.874) 4.503 4.392 ( -0.346 3.450 2.874) 4.503 4.689 ( 3.642 -6.563 3.198) 8.159 4.689 ( 3.642 6.563 3.198) 8.159 4.741 ( 2.062 -3.832 1.691) 4.669 4.741 ( 2.062 3.832 1.691) 4.669 4.898 ( -0.316 -5.549 1.190) 5.684 4.898 ( -0.316 5.549 1.190) 5.684 5.100 ( 1.509 -2.223 1.059) 2.888 5.100 ( 1.509 2.223 1.059) 2.888 5.268 ( 1.434 -1.897 -4.349) 4.957 5.268 ( 1.434 1.897 -4.349) 4.957 5.539 ( 2.976 -2.618 -1.165) 4.131 5.539 ( 2.976 2.618 -1.165) 4.131 5.852 ( 6.281 -0.917 0.429) 6.362 5.852 ( 6.281 0.917 0.429) 6.362 6.129 ( 2.329 -1.045 -1.126) 2.790 6.129 ( 2.329 1.045 -1.126) 2.790 6.255 ( 4.335 -2.180 2.397) 5.412 6.255 ( 4.335 2.180 2.397) 5.412 6.526 ( 5.266 -1.356 1.362) 5.606 6.526 ( 5.266 1.356 1.362) 5.606 6.592 ( 6.125 -2.513 -4.766) 8.158 6.592 ( 6.125 2.513 -4.766) 8.158 6.829 ( 7.787 -4.762 -1.095) 9.193 6.829 ( 7.787 4.762 -1.095) 9.193 7.057 ( 8.864 -1.898 -0.115) 9.066 7.057 ( 8.864 1.898 -0.115) 9.066 7.394 ( 6.418 -1.525 -2.692) 7.125 7.394 ( 6.418 1.525 -2.692) 7.125 7.952 ( 2.318 -2.416 5.835) 6.728 7.952 ( 2.318 2.416 5.835) 6.728 8.180 ( 4.797 -1.100 -0.773) 4.982 8.180 ( 4.797 1.100 -0.773) 4.982 8.350 ( 7.464 -5.286 0.621) 9.167 8.350 ( 7.464 5.286 0.621) 9.167 8.581 ( 7.394 -7.884 0.181) 10.810 8.581 ( 7.394 7.884 0.181) 10.810 9.047 ( 20.890 -3.728 -1.263) 21.257 9.047 ( 20.890 3.728 -1.263) 21.257 9.337 ( 18.132 -6.814 -1.321) 19.415 9.337 ( 18.132 6.814 -1.321) 19.415 9.659 ( 7.521 -1.665 1.221) 7.799 9.659 ( 7.521 1.665 1.221) 7.799 10.233 ( 6.208 -4.936 -6.678) 10.369 10.233 ( 6.208 4.936 -6.678) 10.369 10.884 ( -2.363 -1.405 1.770) 3.269 10.884 ( -2.363 1.405 1.770) 3.269 10.951 ( 2.570 -4.201 -0.671) 4.970 10.951 ( 2.570 4.201 -0.671) 4.970 ======================= Grid point 114 (64/96) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 10.164 -5.389 8.104) 14.072 1.651 ( 10.164 5.389 8.104) 14.072 2.014 ( 5.484 -4.464 3.959) 8.104 2.014 ( 5.484 4.464 3.959) 8.104 2.205 ( 4.985 -2.340 -2.181) 5.924 2.205 ( 4.985 2.340 -2.181) 5.924 2.468 ( 3.814 -0.983 -3.108) 5.017 2.468 ( 3.814 0.983 -3.108) 5.017 2.658 ( 5.913 -1.322 -1.012) 6.143 2.658 ( 5.913 1.322 -1.012) 6.143 2.888 ( 8.961 -1.689 -2.327) 9.410 2.888 ( 8.961 1.689 -2.327) 9.410 3.173 ( -2.336 -8.590 1.766) 9.076 3.173 ( -2.336 8.590 1.766) 9.076 3.326 ( 2.018 -5.145 -2.052) 5.895 3.326 ( 2.018 5.145 -2.052) 5.895 3.670 ( -0.211 -2.565 0.595) 2.642 3.670 ( -0.211 2.565 0.595) 2.642 3.834 ( -8.471 -4.283 1.325) 9.585 3.834 ( -8.471 4.283 1.325) 9.585 4.069 ( 1.654 -4.282 4.658) 6.539 4.069 ( 1.654 4.282 4.658) 6.539 4.384 ( -0.918 -7.024 4.949) 8.641 4.384 ( -0.918 7.024 4.949) 8.641 4.690 ( -1.018 -6.461 0.648) 6.573 4.690 ( -1.018 6.461 0.648) 6.573 4.826 ( 0.501 -8.281 1.805) 8.490 4.826 ( 0.501 8.281 1.805) 8.490 4.946 ( 6.380 -1.956 4.829) 8.237 4.946 ( 6.380 1.956 4.829) 8.237 5.169 ( 4.653 -2.767 -0.629) 5.450 5.169 ( 4.653 2.767 -0.629) 5.450 5.331 ( 3.560 -0.649 -4.361) 5.667 5.331 ( 3.560 0.649 -4.361) 5.667 5.627 ( 4.294 -3.540 -0.324) 5.575 5.627 ( 4.294 3.540 -0.324) 5.575 5.969 ( 4.813 -2.465 0.550) 5.436 5.969 ( 4.813 2.465 0.550) 5.436 6.152 ( 0.762 -1.224 -2.582) 2.958 6.152 ( 0.762 1.224 -2.582) 2.958 6.373 ( 5.923 -0.517 2.919) 6.624 6.373 ( 5.923 0.517 2.919) 6.624 6.630 ( 4.358 -1.110 2.871) 5.336 6.630 ( 4.358 1.110 2.871) 5.336 6.697 ( 4.449 -3.429 -4.449) 7.166 6.697 ( 4.449 3.429 -4.449) 7.166 6.951 ( 3.782 -5.263 -1.709) 6.703 6.951 ( 3.782 5.263 -1.709) 6.703 7.250 ( 8.861 -2.645 -0.765) 9.279 7.250 ( 8.861 2.645 -0.765) 9.279 7.503 ( 4.101 -1.394 -3.117) 5.336 7.503 ( 4.101 1.394 -3.117) 5.336 8.013 ( 2.966 -2.238 8.349) 9.138 8.013 ( 2.966 2.238 8.349) 9.138 8.246 ( 2.013 -1.081 -0.034) 2.286 8.246 ( 2.013 1.081 -0.034) 2.286 8.472 ( 4.278 -4.884 -0.151) 6.494 8.472 ( 4.278 4.884 -0.151) 6.494 8.721 ( 6.096 -7.191 -3.225) 9.964 8.721 ( 6.096 7.191 -3.225) 9.964 9.409 ( 12.756 -6.789 2.792) 14.717 9.409 ( 12.756 6.789 2.792) 14.717 9.676 ( 9.535 -5.240 -0.591) 10.896 9.676 ( 9.535 5.240 -0.591) 10.896 9.933 ( 19.908 -3.504 -0.145) 20.215 9.933 ( 19.908 3.504 -0.145) 20.215 10.391 ( 8.356 -4.561 -3.231) 10.053 10.391 ( 8.356 4.561 -3.231) 10.053 10.866 ( 0.329 -1.618 1.007) 1.934 10.866 ( 0.329 1.618 1.007) 1.934 11.015 ( 3.049 -3.879 -3.160) 5.859 11.015 ( 3.049 3.879 -3.160) 5.859 ======================= Grid point 116 (65/96) ======================= q-point: ( 0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 1.513 -3.942 4.528) 6.191 1.778 ( 1.513 3.942 4.528) 6.191 2.085 ( 1.763 -2.391 5.535) 6.282 2.085 ( 1.763 2.391 5.535) 6.282 2.301 ( 3.605 -2.898 -1.985) 5.033 2.301 ( 3.605 2.898 -1.985) 5.033 2.493 ( -0.457 -1.050 -2.843) 3.065 2.493 ( -0.457 1.050 -2.843) 3.065 2.779 ( 5.994 -1.682 -1.910) 6.512 2.779 ( 5.994 1.682 -1.910) 6.512 2.960 ( -1.451 -2.640 -3.653) 4.735 2.960 ( -1.451 2.640 -3.653) 4.735 3.125 ( -2.083 -4.659 3.275) 6.064 3.125 ( -2.083 4.659 3.275) 6.064 3.380 ( 1.492 -0.516 -0.889) 1.812 3.380 ( 1.492 0.516 -0.889) 1.812 3.674 ( -0.265 -2.843 0.088) 2.857 3.674 ( -0.265 2.843 0.088) 2.857 3.741 ( 0.547 -1.156 -0.155) 1.288 3.741 ( 0.547 1.156 -0.155) 1.288 4.127 ( 2.679 -5.348 6.530) 8.856 4.127 ( 2.679 5.348 6.530) 8.856 4.358 ( -1.409 -7.415 4.608) 8.843 4.358 ( -1.409 7.415 4.608) 8.843 4.682 ( 0.134 -4.572 0.637) 4.619 4.682 ( 0.134 4.572 0.637) 4.619 4.803 ( -1.372 -5.060 2.831) 5.959 4.803 ( -1.372 5.060 2.831) 5.959 5.065 ( 3.139 -1.083 3.280) 4.667 5.065 ( 3.139 1.083 3.280) 4.667 5.249 ( 2.000 -2.618 -0.258) 3.305 5.249 ( 2.000 2.618 -0.258) 3.305 5.390 ( 2.441 -1.207 -4.683) 5.417 5.390 ( 2.441 1.207 -4.683) 5.417 5.687 ( 1.234 -3.217 0.684) 3.513 5.687 ( 1.234 3.217 0.684) 3.513 6.044 ( 2.099 -3.199 0.403) 3.847 6.044 ( 2.099 3.199 0.403) 3.847 6.157 ( -0.357 -2.309 -2.579) 3.480 6.157 ( -0.357 2.309 -2.579) 3.480 6.471 ( 2.963 -0.890 1.691) 3.526 6.471 ( 2.963 0.890 1.691) 3.526 6.691 ( 0.774 -0.858 3.864) 4.033 6.691 ( 0.774 0.858 3.864) 4.033 6.777 ( 3.519 -3.784 -3.429) 6.201 6.777 ( 3.519 3.784 -3.429) 6.201 6.989 ( 0.311 -5.038 -2.485) 5.626 6.989 ( 0.311 5.038 -2.485) 5.626 7.396 ( 4.630 -3.739 -0.242) 5.956 7.396 ( 4.630 3.739 -0.242) 5.956 7.559 ( 1.327 -1.458 -3.284) 3.830 7.559 ( 1.327 1.458 -3.284) 3.830 8.064 ( 1.230 -1.988 9.165) 9.458 8.064 ( 1.230 1.988 9.165) 9.458 8.270 ( 0.379 -2.280 -0.431) 2.352 8.270 ( 0.379 2.280 -0.431) 2.352 8.538 ( 2.104 -3.796 0.321) 4.352 8.538 ( 2.104 3.796 0.321) 4.352 8.811 ( 2.373 -7.063 -4.680) 8.798 8.811 ( 2.373 7.063 -4.680) 8.798 9.594 ( 5.018 -4.772 2.756) 7.453 9.594 ( 5.018 4.772 2.756) 7.453 9.777 ( 1.689 -6.372 2.035) 6.899 9.777 ( 1.689 6.372 2.035) 6.899 10.275 ( 9.254 -2.930 -1.676) 9.851 10.275 ( 9.254 2.930 -1.676) 9.851 10.526 ( 3.575 -4.655 -1.336) 6.020 10.526 ( 3.575 4.655 -1.336) 6.020 10.885 ( 1.164 -0.794 1.537) 2.085 10.885 ( 1.164 0.794 1.537) 2.085 11.059 ( 1.219 -1.141 -5.490) 5.738 11.059 ( 1.219 1.141 -5.490) 5.738 ======================= Grid point 118 (66/96) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -4.479 -6.040 2.982) 8.090 1.741 ( -4.479 6.040 2.982) 8.090 2.080 ( -3.265 -5.700 8.586) 10.811 2.080 ( -3.265 5.700 8.586) 10.811 2.330 ( -0.651 -3.052 -4.213) 5.243 2.330 ( -0.651 3.052 -4.213) 5.243 2.496 ( 1.373 -1.928 -2.480) 3.428 2.496 ( 1.373 1.928 -2.480) 3.428 2.852 ( -1.352 -2.997 -0.713) 3.364 2.852 ( -1.352 2.997 -0.713) 3.364 2.893 ( -2.763 -4.858 -4.411) 7.120 2.893 ( -2.763 4.858 -4.411) 7.120 3.117 ( 1.222 -4.516 4.020) 6.169 3.117 ( 1.222 4.516 4.020) 6.169 3.344 ( -4.500 -3.972 -1.891) 6.293 3.344 ( -4.500 3.972 -1.891) 6.293 3.670 ( -0.139 -6.120 -0.791) 6.172 3.670 ( -0.139 6.120 -0.791) 6.172 3.808 ( 5.121 -3.103 0.466) 6.006 3.808 ( 5.121 3.103 0.466) 6.006 4.153 ( -0.585 -6.765 6.928) 9.701 4.153 ( -0.585 6.765 6.928) 9.701 4.348 ( 0.275 -0.896 3.926) 4.036 4.348 ( 0.275 0.896 3.926) 4.036 4.682 ( -0.256 -2.165 1.937) 2.916 4.682 ( -0.256 2.165 1.937) 2.916 4.798 ( 0.902 -2.860 1.283) 3.262 4.798 ( 0.902 2.860 1.283) 3.262 5.061 ( -3.298 -2.116 3.821) 5.473 5.061 ( -3.298 2.116 3.821) 5.473 5.239 ( -2.669 -2.112 -0.616) 3.459 5.239 ( -2.669 2.112 -0.616) 3.459 5.424 ( 0.482 -2.157 -5.066) 5.528 5.424 ( 0.482 2.157 -5.066) 5.528 5.676 ( -2.292 -3.446 1.406) 4.371 5.676 ( -2.292 3.446 1.406) 4.371 6.046 ( -1.994 -2.488 0.145) 3.192 6.046 ( -1.994 2.488 0.145) 3.192 6.132 ( -1.866 -1.872 -2.207) 3.443 6.132 ( -1.866 1.872 -2.207) 3.443 6.495 ( -0.740 -1.151 1.375) 1.940 6.495 ( -0.740 1.151 1.375) 1.940 6.650 ( -4.482 -0.186 2.695) 5.233 6.650 ( -4.482 0.186 2.695) 5.233 6.831 ( 1.206 -3.290 -2.839) 4.510 6.831 ( 1.206 3.290 -2.839) 4.510 6.970 ( -2.194 -4.148 -2.253) 5.205 6.970 ( -2.194 4.148 -2.253) 5.205 7.428 ( -1.561 -4.243 0.477) 4.546 7.428 ( -1.561 4.243 0.477) 4.546 7.547 ( -2.487 -1.660 -3.622) 4.696 7.547 ( -2.487 1.660 -3.622) 4.696 8.071 ( -0.641 -2.037 8.689) 8.948 8.071 ( -0.641 2.037 8.689) 8.948 8.261 ( -1.346 -2.152 -0.578) 2.603 8.261 ( -1.346 2.152 -0.578) 2.603 8.561 ( 0.118 -2.111 1.458) 2.568 8.561 ( 0.118 2.111 1.458) 2.568 8.805 ( -2.863 -7.552 -5.278) 9.648 8.805 ( -2.863 7.552 -5.278) 9.648 9.611 ( -3.588 -2.130 1.800) 4.544 9.611 ( -3.588 2.130 1.800) 4.544 9.764 ( -3.176 -8.181 2.525) 9.131 9.764 ( -3.176 8.181 2.525) 9.131 10.274 ( -8.507 -3.144 -0.743) 9.100 10.274 ( -8.507 3.144 -0.743) 9.100 10.509 ( -5.256 -4.479 -1.813) 7.139 10.509 ( -5.256 4.479 -1.813) 7.140 10.897 ( -0.492 -1.960 0.502) 2.082 10.897 ( -0.492 1.960 0.502) 2.082 11.062 ( -0.702 -2.986 -4.679) 5.595 11.062 ( -0.702 2.986 -4.679) 5.595 ======================= Grid point 120 (67/96) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -7.622 -9.024 3.727) 12.386 1.615 ( -7.622 9.024 3.727) 12.386 1.962 ( -7.896 -9.286 10.222) 15.908 1.962 ( -7.896 9.286 10.222) 15.908 2.269 ( -5.497 -1.694 -5.563) 8.002 2.269 ( -5.497 1.694 -5.563) 8.002 2.522 ( 0.308 -1.929 -2.834) 3.442 2.522 ( 0.308 1.929 -2.834) 3.442 2.719 ( -10.504 -1.442 0.927) 10.643 2.719 ( -10.504 1.442 0.927) 10.643 2.842 ( -3.082 -4.735 -4.093) 6.976 2.842 ( -3.082 4.735 -4.093) 6.976 3.126 ( -1.328 -3.615 2.555) 4.622 3.126 ( -1.328 3.615 2.555) 4.622 3.240 ( -3.641 -6.076 -0.984) 7.152 3.240 ( -3.641 6.076 -0.984) 7.152 3.676 ( 1.377 -6.100 -1.071) 6.345 3.676 ( 1.377 6.100 -1.071) 6.345 3.942 ( 6.896 -4.616 0.752) 8.333 3.942 ( 6.896 4.616 0.752) 8.333 4.140 ( 0.094 -5.805 5.589) 8.059 4.140 ( 0.094 5.805 5.589) 8.059 4.356 ( -0.017 -2.982 3.754) 4.795 4.356 ( -0.017 2.982 3.754) 4.795 4.670 ( -1.375 -2.434 2.438) 3.710 4.670 ( -1.375 2.434 2.438) 3.710 4.826 ( 1.294 -6.601 -0.342) 6.736 4.826 ( 1.294 6.601 -0.342) 6.736 4.978 ( -3.345 -3.109 6.366) 7.835 4.978 ( -3.345 3.109 6.366) 7.835 5.149 ( -5.573 -0.717 -1.927) 5.940 5.149 ( -5.573 0.717 -1.927) 5.940 5.385 ( -4.070 -3.792 -5.211) 7.623 5.385 ( -4.070 3.792 -5.211) 7.623 5.612 ( -3.257 -3.592 1.228) 5.002 5.612 ( -3.257 3.592 1.228) 5.002 5.975 ( -4.226 -1.277 -0.435) 4.436 5.975 ( -4.226 1.277 -0.435) 4.436 6.084 ( -2.507 -1.486 -1.369) 3.220 6.084 ( -2.507 1.486 -1.369) 3.220 6.435 ( -5.402 -2.110 3.059) 6.557 6.435 ( -5.402 2.110 3.059) 6.557 6.547 ( -4.584 -2.167 0.240) 5.076 6.547 ( -4.584 2.167 0.240) 5.076 6.791 ( -5.776 -2.062 -4.509) 7.612 6.791 ( -5.776 2.062 -4.509) 7.612 6.902 ( -3.702 -2.972 -0.528) 4.776 6.902 ( -3.702 2.972 -0.528) 4.776 7.330 ( -7.767 -4.599 0.651) 9.050 7.330 ( -7.767 4.599 0.651) 9.050 7.464 ( -4.782 -3.328 -3.547) 6.821 7.464 ( -4.782 3.328 -3.547) 6.821 8.053 ( -1.557 -2.262 7.406) 7.899 8.053 ( -1.557 2.262 7.406) 7.899 8.214 ( -3.017 -0.733 -0.757) 3.196 8.214 ( -3.017 0.733 -0.757) 3.196 8.551 ( -0.923 -0.611 3.145) 3.334 8.551 ( -0.923 0.611 3.145) 3.334 8.690 ( -7.742 -7.406 -4.956) 11.805 8.690 ( -7.742 7.406 -4.956) 11.805 9.436 ( -14.030 -1.311 0.807) 14.114 9.436 ( -14.030 1.311 0.807) 14.114 9.625 ( -11.009 -8.620 -1.278) 14.041 9.625 ( -11.009 8.620 -1.278) 14.041 9.990 ( -16.182 -4.797 2.843) 17.116 9.990 ( -16.182 4.797 2.843) 17.116 10.337 ( -9.558 -4.599 -4.244) 11.424 10.337 ( -9.558 4.599 -4.244) 11.424 10.871 ( -1.422 -1.936 -0.598) 2.476 10.871 ( -1.422 1.936 -0.598) 2.476 11.028 ( -2.303 -4.825 -1.743) 5.623 11.028 ( -2.303 4.825 -1.743) 5.623 ======================= Grid point 122 (68/96) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -9.822 -12.222 5.742) 16.698 1.433 ( -9.822 12.222 5.743) 16.698 1.769 ( -11.760 -12.100 10.822) 20.045 1.769 ( -11.760 12.100 10.822) 20.045 2.093 ( -10.250 -3.872 -4.325) 11.779 2.093 ( -10.250 3.872 -4.325) 11.779 2.431 ( -12.398 -4.031 -2.205) 13.222 2.431 ( -12.398 4.031 -2.205) 13.222 2.487 ( -7.061 -2.542 -1.974) 7.760 2.487 ( -7.061 2.542 -1.974) 7.760 2.771 ( -2.176 -1.475 -2.231) 3.448 2.771 ( -2.176 1.475 -2.231) 3.448 3.111 ( 0.919 -7.112 0.139) 7.172 3.111 ( 0.919 7.112 0.139) 7.172 3.221 ( 1.471 -9.988 1.380) 10.190 3.221 ( 1.471 9.988 1.380) 10.190 3.723 ( 2.032 -7.164 0.720) 7.481 3.723 ( 2.032 7.164 0.720) 7.481 4.029 ( 0.740 -6.727 1.681) 6.973 4.029 ( 0.740 6.727 1.681) 6.973 4.184 ( 2.763 -2.506 4.426) 5.788 4.184 ( 2.763 2.506 4.426) 5.788 4.355 ( 0.506 -1.733 2.829) 3.356 4.355 ( 0.506 1.733 2.829) 3.356 4.634 ( -0.916 -0.933 1.629) 2.089 4.634 ( -0.916 0.933 1.629) 2.089 4.833 ( -0.992 -5.494 2.316) 6.044 4.833 ( -0.992 5.494 2.316) 6.044 4.948 ( -1.674 -3.929 1.608) 4.564 4.948 ( -1.674 3.929 1.608) 4.564 5.051 ( -1.264 -2.438 -0.230) 2.756 5.051 ( -1.264 2.438 -0.230) 2.756 5.290 ( -3.271 -5.980 -4.780) 8.325 5.290 ( -3.271 5.980 -4.780) 8.325 5.558 ( -1.776 -2.384 -0.125) 2.975 5.558 ( -1.776 2.384 -0.125) 2.975 5.885 ( -4.309 -1.176 -0.800) 4.538 5.885 ( -4.309 1.176 -0.800) 4.538 6.040 ( -1.725 -0.679 0.116) 1.858 6.040 ( -1.725 0.679 0.116) 1.858 6.282 ( -8.738 -1.887 3.794) 9.711 6.282 ( -8.738 1.887 3.794) 9.711 6.466 ( -3.482 -2.447 -1.967) 4.689 6.466 ( -3.482 2.447 -1.967) 4.689 6.608 ( -10.086 -1.501 -3.746) 10.864 6.608 ( -10.086 1.501 -3.746) 10.864 6.815 ( -5.006 -3.142 0.025) 5.910 6.815 ( -5.006 3.142 0.025) 5.910 7.141 ( -9.443 -3.125 0.332) 9.952 7.141 ( -9.443 3.125 0.332) 9.952 7.352 ( -5.957 -3.417 -2.894) 7.453 7.352 ( -5.957 3.417 -2.894) 7.453 8.001 ( -4.067 -2.214 4.727) 6.617 8.001 ( -4.067 2.214 4.727) 6.617 8.142 ( -3.820 -1.804 -0.929) 4.325 8.142 ( -3.820 1.804 -0.929) 4.325 8.484 ( -9.742 -3.260 -1.154) 10.337 8.484 ( -9.742 3.260 -1.154) 10.337 8.543 ( -1.864 -4.773 3.902) 6.441 8.543 ( -1.864 4.773 3.902) 6.441 9.032 ( -22.415 -5.092 -4.527) 23.428 9.032 ( -22.415 5.092 -4.527) 23.428 9.298 ( -18.762 -4.318 -1.687) 19.326 9.298 ( -18.762 4.318 -1.687) 19.326 9.726 ( -8.694 -4.724 3.557) 10.515 9.726 ( -8.694 4.724 3.557) 10.515 10.170 ( -5.513 -5.562 -7.338) 10.732 10.170 ( -5.513 5.562 -7.338) 10.732 10.870 ( 2.228 -0.887 1.344) 2.749 10.870 ( 2.228 0.887 1.344) 2.749 10.976 ( -2.317 -3.221 0.079) 3.969 10.976 ( -2.317 3.221 0.079) 3.969 ======================= Grid point 124 (69/96) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -9.061 -15.575 9.208) 20.235 1.232 ( -9.061 15.575 9.208) 20.235 1.476 ( -14.585 -14.282 8.556) 22.134 1.476 ( -14.585 14.282 8.556) 22.134 1.923 ( -5.389 -5.898 -2.973) 8.524 1.923 ( -5.389 5.898 -2.973) 8.524 2.180 ( -9.362 -6.696 -1.724) 11.639 2.180 ( -9.362 6.696 -1.724) 11.639 2.369 ( -3.683 -5.896 -1.041) 7.029 2.369 ( -3.683 5.896 -1.041) 7.029 2.771 ( 1.452 -3.609 -1.699) 4.245 2.771 ( 1.452 3.609 -1.699) 4.245 3.151 ( 2.312 -4.474 -0.088) 5.037 3.151 ( 2.312 4.474 -0.088) 5.037 3.293 ( 4.823 -8.337 2.620) 9.982 3.293 ( 4.823 8.337 2.620) 9.982 3.718 ( -2.302 -7.382 1.269) 7.836 3.718 ( -2.302 7.382 1.269) 7.836 3.982 ( -4.800 -7.016 2.541) 8.872 3.982 ( -4.800 7.016 2.541) 8.872 4.212 ( -0.008 -5.699 3.986) 6.955 4.212 ( -0.008 5.699 3.986) 6.955 4.414 ( 4.753 -3.504 3.130) 6.683 4.414 ( 4.753 3.504 3.130) 6.683 4.648 ( 0.732 -1.859 1.472) 2.481 4.648 ( 0.732 1.859 1.472) 2.481 4.806 ( -0.772 -3.627 0.873) 3.810 4.806 ( -0.772 3.627 0.873) 3.810 4.905 ( 0.298 -5.552 -1.834) 5.855 4.905 ( 0.298 5.552 -1.834) 5.855 5.101 ( 3.004 -6.140 3.077) 7.496 5.101 ( 3.004 6.140 3.077) 7.496 5.292 ( 4.457 -4.489 -4.509) 7.768 5.292 ( 4.457 4.489 -4.509) 7.768 5.550 ( 1.243 -1.158 -0.410) 1.748 5.550 ( 1.243 1.158 -0.410) 1.748 5.794 ( -4.508 -2.511 -0.890) 5.236 5.794 ( -4.508 2.511 -0.890) 5.236 5.918 ( -12.354 -1.224 2.958) 12.762 5.918 ( -12.354 1.224 2.958) 12.762 6.184 ( 1.540 -0.424 0.639) 1.721 6.184 ( 1.540 0.424 0.639) 1.721 6.399 ( -2.482 -2.929 -3.326) 5.079 6.399 ( -2.482 2.929 -3.326) 5.079 6.431 ( -5.693 -0.461 -0.481) 5.732 6.431 ( -5.693 0.461 -0.481) 5.732 6.686 ( -7.387 -2.751 -0.256) 7.887 6.686 ( -7.387 2.751 -0.256) 7.887 6.978 ( -5.441 -1.745 0.015) 5.714 6.978 ( -5.441 1.745 0.015) 5.714 7.226 ( -5.351 -2.725 -2.477) 6.495 7.226 ( -5.351 2.725 -2.477) 6.495 7.890 ( -6.074 -1.452 1.450) 6.411 7.890 ( -6.074 1.452 1.450) 6.411 8.043 ( -5.838 -2.243 -1.150) 6.359 8.043 ( -5.838 2.243 -1.150) 6.359 8.284 ( -7.672 -4.234 0.379) 8.771 8.284 ( -7.672 4.234 0.379) 8.771 8.456 ( -8.565 -2.177 6.676) 11.075 8.456 ( -8.565 2.177 6.676) 11.075 8.696 ( -6.373 -4.713 -6.194) 10.059 8.696 ( -6.373 4.714 -6.194) 10.059 8.962 ( -10.704 -2.588 -1.282) 11.087 8.962 ( -10.704 2.588 -1.282) 11.087 9.600 ( -4.138 -3.130 1.527) 5.408 9.600 ( -4.138 3.130 1.527) 5.409 10.107 ( -0.530 -6.759 -11.118) 13.022 10.107 ( -0.530 6.759 -11.118) 13.022 10.908 ( -1.374 -6.729 1.759) 7.090 10.908 ( -1.374 6.729 1.759) 7.090 11.018 ( 8.441 -4.835 0.828) 9.762 11.018 ( 8.441 4.835 0.828) 9.762 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -1.642 0.000 18.737) 18.809 1.433 ( 3.939 0.000 12.297) 12.912 1.662 ( -1.522 0.000 -8.699) 8.831 1.735 ( 2.184 0.000 -2.427) 3.265 1.826 ( 0.807 0.000 0.087) 0.811 1.848 ( -0.167 0.000 3.418) 3.422 1.872 ( -0.423 0.000 -3.744) 3.768 1.956 ( 0.079 0.000 -2.156) 2.157 2.192 ( 0.265 0.000 5.917) 5.923 2.372 ( -4.124 0.000 -5.535) 6.903 2.758 ( 2.285 0.000 -1.129) 2.549 2.768 ( -1.907 0.000 -1.249) 2.279 3.040 ( -4.484 0.000 0.181) 4.488 3.059 ( 3.843 0.000 -1.935) 4.303 3.240 ( 0.946 0.000 2.867) 3.019 3.270 ( -0.613 0.000 -0.507) 0.796 3.860 ( 4.098 0.000 1.864) 4.502 3.880 ( -4.660 0.000 1.175) 4.806 4.002 ( 5.639 0.000 8.376) 10.097 4.163 ( -4.881 0.000 -7.183) 8.684 4.187 ( -8.800 0.000 2.767) 9.225 4.228 ( 8.515 0.000 -0.870) 8.560 4.463 ( -5.438 0.000 -0.468) 5.458 4.482 ( 5.425 0.000 -0.896) 5.498 4.552 ( 3.908 0.000 3.701) 5.383 4.605 ( -6.011 0.000 -1.718) 6.252 4.798 ( 0.272 0.000 -0.197) 0.336 4.819 ( 0.466 0.000 -1.147) 1.238 4.991 ( 6.344 0.000 2.485) 6.813 5.005 ( -1.875 0.000 4.273) 4.667 5.146 ( -1.955 0.000 3.081) 3.649 5.245 ( -5.048 0.000 -4.886) 7.026 5.373 ( 4.575 0.000 2.877) 5.404 5.446 ( -1.683 0.000 -4.018) 4.356 5.554 ( 7.631 0.000 0.830) 7.676 5.585 ( -8.449 0.000 -2.991) 8.963 5.654 ( 3.063 0.000 1.083) 3.249 5.658 ( 2.444 0.000 0.413) 2.478 5.802 ( 2.494 0.000 2.798) 3.748 5.844 ( -5.470 0.000 -0.870) 5.538 6.240 ( -0.194 0.000 1.483) 1.495 6.254 ( 1.104 0.000 -0.101) 1.108 6.347 ( 3.229 0.000 0.597) 3.284 6.372 ( -0.354 0.000 -1.826) 1.860 6.378 ( 1.578 0.000 -0.127) 1.583 6.381 ( -1.211 0.000 -0.622) 1.361 6.508 ( -4.055 0.000 4.534) 6.083 6.568 ( 2.303 0.000 -1.096) 2.551 6.837 ( -3.171 0.000 -0.133) 3.174 6.866 ( 1.959 0.000 -2.290) 3.014 7.059 ( -1.261 0.000 -2.526) 2.823 7.061 ( 0.898 0.000 -2.760) 2.902 7.768 ( 1.640 0.000 -0.383) 1.685 7.772 ( -2.433 0.000 -0.689) 2.529 7.885 ( -1.369 0.000 1.965) 2.395 7.927 ( 0.982 0.000 -2.437) 2.627 8.290 ( 2.243 0.000 2.759) 3.556 8.341 ( -2.018 0.000 -2.816) 3.464 8.381 ( -2.572 0.000 9.162) 9.517 8.475 ( -2.782 0.000 5.674) 6.319 8.516 ( 3.779 0.000 -1.255) 3.982 8.599 ( -0.095 0.000 -10.473) 10.473 8.777 ( -3.585 0.000 0.557) 3.628 8.797 ( 7.048 0.000 -1.354) 7.177 9.460 ( -0.740 0.000 2.407) 2.518 9.557 ( 1.118 0.000 -7.434) 7.518 10.115 ( 0.598 0.000 6.188) 6.216 10.280 ( -0.959 0.000 -9.938) 9.984 10.665 ( -0.349 0.000 2.802) 2.824 10.728 ( 0.601 0.000 -3.541) 3.591 11.167 ( 0.679 0.000 3.091) 3.164 11.223 ( -1.744 0.000 -2.942) 3.420 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 8.899 0.000 13.845) 16.458 1.571 ( 7.392 0.000 16.805) 18.359 1.750 ( 9.379 0.000 -13.014) 16.041 1.804 ( 3.224 0.000 -3.595) 4.828 1.876 ( 3.847 0.000 -0.560) 3.888 1.943 ( 8.794 0.000 -2.885) 9.255 2.039 ( 14.902 0.000 -1.202) 14.950 2.084 ( 13.062 0.000 -5.855) 14.314 2.267 ( 7.034 0.000 15.630) 17.139 2.317 ( 0.857 0.000 -3.842) 3.936 2.622 ( -7.131 0.000 0.472) 7.147 2.694 ( -5.305 0.000 -2.604) 5.909 3.076 ( 2.316 0.000 0.569) 2.385 3.186 ( -2.554 0.000 -1.015) 2.748 3.240 ( 2.707 0.000 4.952) 5.644 3.277 ( 7.935 0.000 -3.181) 8.549 3.795 ( -2.962 0.000 3.524) 4.603 3.949 ( 1.608 0.000 1.022) 1.905 3.963 ( -7.042 0.000 3.870) 8.035 3.993 ( -9.548 0.000 -9.513) 13.478 4.182 ( 3.809 0.000 4.505) 5.899 4.359 ( -2.010 0.000 1.058) 2.271 4.433 ( 6.681 0.000 0.188) 6.684 4.477 ( -3.123 0.000 -0.068) 3.124 4.613 ( 4.038 0.000 1.960) 4.489 4.651 ( 3.780 0.000 5.615) 6.768 4.739 ( -4.457 0.000 2.358) 5.043 4.815 ( -0.125 0.000 -2.638) 2.641 4.919 ( -3.126 0.000 -6.044) 6.805 5.033 ( -0.862 0.000 1.559) 1.782 5.091 ( -6.916 0.000 -1.749) 7.134 5.145 ( 2.232 0.000 9.809) 10.060 5.336 ( -4.006 0.000 1.846) 4.411 5.344 ( -6.572 0.000 -8.404) 10.668 5.485 ( 1.439 0.000 -0.285) 1.467 5.556 ( -5.703 0.000 -0.953) 5.782 5.727 ( 5.887 0.000 -0.841) 5.947 5.758 ( 5.837 0.000 0.610) 5.869 5.990 ( 10.814 0.000 -2.132) 11.022 6.016 ( 12.198 0.000 3.288) 12.633 6.200 ( -4.312 0.000 -0.984) 4.423 6.226 ( -0.116 0.000 -0.784) 0.792 6.346 ( 0.986 0.000 2.869) 3.033 6.421 ( 5.364 0.000 -0.666) 5.405 6.428 ( 5.464 0.000 -4.768) 7.252 6.448 ( 5.182 0.000 -0.589) 5.216 6.608 ( 8.470 0.000 5.448) 10.071 6.724 ( 9.102 0.000 -2.608) 9.468 6.835 ( 4.242 0.000 2.575) 4.962 6.932 ( 4.347 0.000 -1.634) 4.644 7.097 ( 4.439 0.000 -1.790) 4.787 7.138 ( 5.377 0.000 -3.718) 6.537 7.853 ( 9.319 0.000 -0.224) 9.322 7.861 ( 5.225 0.000 2.002) 5.595 7.957 ( 7.188 0.000 1.420) 7.327 8.006 ( 4.732 0.000 -0.101) 4.733 8.345 ( 2.982 0.000 -2.895) 4.156 8.345 ( 2.384 0.000 4.284) 4.903 8.447 ( 1.151 0.000 4.429) 4.576 8.512 ( 15.916 0.000 8.534) 18.059 8.643 ( 4.698 0.000 -10.231) 11.258 8.681 ( 12.641 0.000 0.951) 12.676 8.813 ( 7.245 0.000 -1.795) 7.464 9.024 ( 13.432 0.000 -4.961) 14.319 9.494 ( 4.317 0.000 2.047) 4.778 9.629 ( 6.221 0.000 -7.171) 9.493 10.160 ( 3.519 0.000 4.564) 5.763 10.244 ( -1.305 0.000 -4.839) 5.012 10.669 ( 0.857 0.000 2.313) 2.467 10.740 ( 0.639 0.000 -3.925) 3.977 11.108 ( -6.256 0.000 0.944) 6.327 11.139 ( -2.803 0.000 1.663) 3.259 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 12.159 0.000 9.539) 15.454 1.736 ( 7.803 0.000 11.406) 13.819 1.896 ( 5.768 0.000 1.049) 5.863 1.929 ( 7.705 0.000 0.705) 7.737 2.007 ( 6.592 0.000 -11.821) 13.535 2.080 ( 5.737 0.000 -6.804) 8.900 2.419 ( 20.228 0.000 0.942) 20.250 2.421 ( 11.765 0.000 2.160) 11.962 2.465 ( 12.094 0.000 -0.224) 12.096 2.470 ( 11.456 0.000 2.727) 11.776 2.581 ( 5.563 0.000 3.485) 6.564 2.623 ( -0.118 0.000 -2.439) 2.442 3.047 ( -8.046 0.000 -1.789) 8.242 3.058 ( -1.219 0.000 -1.970) 2.317 3.379 ( 7.057 0.000 5.987) 9.254 3.450 ( 6.700 0.000 -2.733) 7.236 3.735 ( -13.210 0.000 -9.969) 16.549 3.739 ( -2.926 0.000 8.211) 8.717 3.830 ( -5.766 0.000 0.889) 5.834 3.918 ( -4.944 0.000 1.887) 5.292 4.169 ( -4.740 0.000 0.272) 4.748 4.353 ( 0.950 0.000 -2.429) 2.608 4.407 ( -3.852 0.000 4.272) 5.753 4.441 ( -5.921 0.000 3.284) 6.770 4.704 ( 1.077 0.000 5.371) 5.478 4.721 ( 6.002 0.000 2.458) 6.486 4.743 ( 5.868 0.000 3.874) 7.031 4.853 ( 4.321 0.000 0.392) 4.338 4.914 ( 3.195 0.000 -4.436) 5.467 5.005 ( 2.067 0.000 -6.118) 6.458 5.093 ( 3.789 0.000 4.517) 5.896 5.247 ( 6.377 0.000 7.364) 9.742 5.269 ( -0.504 0.000 -6.687) 6.706 5.296 ( -0.319 0.000 -0.533) 0.621 5.453 ( -3.084 0.000 -0.211) 3.091 5.534 ( 3.013 0.000 -2.323) 3.804 5.851 ( 3.630 0.000 1.106) 3.795 5.892 ( 8.897 0.000 0.498) 8.910 6.104 ( 2.828 0.000 -0.457) 2.865 6.113 ( -3.161 0.000 -1.880) 3.678 6.247 ( 9.484 0.000 1.521) 9.605 6.321 ( 6.337 0.000 -4.937) 8.033 6.417 ( 5.138 0.000 5.419) 7.468 6.545 ( 6.599 0.000 -0.458) 6.615 6.564 ( 5.799 0.000 1.350) 5.954 6.574 ( 7.809 0.000 -5.151) 9.355 6.767 ( 6.145 0.000 6.246) 8.762 6.907 ( 8.288 0.000 -5.301) 9.838 6.983 ( 8.449 0.000 4.221) 9.444 7.053 ( 7.097 0.000 -2.086) 7.397 7.206 ( 5.386 0.000 -3.427) 6.384 7.248 ( 5.265 0.000 -4.344) 6.826 7.960 ( 4.309 0.000 4.775) 6.432 8.043 ( 7.268 0.000 -1.594) 7.440 8.087 ( 3.333 0.000 3.233) 4.643 8.108 ( 6.027 0.000 -0.091) 6.028 8.409 ( 3.483 0.000 5.793) 6.760 8.463 ( 7.447 0.000 -3.756) 8.340 8.476 ( 2.699 0.000 6.605) 7.135 8.727 ( 3.614 0.000 -6.776) 7.680 9.030 ( 27.591 0.000 3.117) 27.766 9.039 ( 17.287 0.000 6.910) 18.617 9.135 ( 25.889 0.000 -7.963) 27.086 9.313 ( 15.690 0.000 -2.029) 15.821 9.637 ( 8.465 0.000 1.690) 8.632 9.811 ( 11.290 0.000 -6.351) 12.953 10.267 ( 6.718 0.000 0.375) 6.729 10.268 ( 4.388 0.000 1.272) 4.569 10.707 ( 2.611 0.000 0.479) 2.654 10.754 ( 1.208 0.000 -3.624) 3.820 11.025 ( -1.996 0.000 3.550) 4.072 11.089 ( -1.691 0.000 -1.871) 2.522 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 12.247 0.000 6.290) 13.767 1.896 ( 7.000 0.000 5.829) 9.109 2.017 ( 4.660 0.000 5.125) 6.927 2.066 ( 4.682 0.000 2.777) 5.444 2.119 ( 5.266 0.000 -9.276) 10.666 2.201 ( 6.156 0.000 -4.848) 7.836 2.523 ( 1.089 0.000 1.429) 1.797 2.565 ( 0.525 0.000 -1.011) 1.139 2.628 ( 3.893 0.000 -0.284) 3.903 2.755 ( 3.242 0.000 -3.233) 4.578 2.796 ( 9.849 0.000 0.678) 9.872 2.801 ( 13.364 0.000 5.062) 14.290 2.976 ( 4.756 0.000 0.697) 4.806 3.092 ( 5.998 0.000 -5.081) 7.861 3.456 ( -5.145 0.000 -4.736) 6.992 3.474 ( -5.731 0.000 -0.489) 5.752 3.518 ( -1.448 0.000 2.961) 3.296 3.692 ( -3.357 0.000 -1.365) 3.624 3.746 ( 0.371 0.000 6.240) 6.251 3.800 ( -4.955 0.000 2.955) 5.770 4.057 ( -4.253 0.000 -0.826) 4.332 4.267 ( -6.321 0.000 -0.100) 6.322 4.356 ( -1.392 0.000 7.836) 7.959 4.417 ( 2.528 0.000 -3.905) 4.652 4.722 ( 1.221 0.000 6.494) 6.608 4.827 ( 5.121 0.000 0.432) 5.139 4.924 ( 8.005 0.000 0.294) 8.011 4.943 ( 2.877 0.000 7.345) 7.888 5.032 ( 7.397 0.000 -0.107) 7.398 5.120 ( 7.722 0.000 -6.037) 9.802 5.164 ( 2.579 0.000 2.016) 3.274 5.263 ( -2.999 0.000 2.477) 3.890 5.280 ( 0.999 0.000 -5.627) 5.715 5.333 ( 0.610 0.000 -1.896) 1.992 5.498 ( 6.601 0.000 3.819) 7.627 5.614 ( 4.556 0.000 -4.008) 6.068 5.922 ( 3.057 0.000 0.391) 3.082 6.055 ( 4.527 0.000 0.421) 4.547 6.066 ( 0.181 0.000 -1.141) 1.155 6.166 ( 2.943 0.000 0.481) 2.982 6.406 ( 5.904 0.000 0.916) 5.975 6.427 ( 4.289 0.000 -4.477) 6.200 6.531 ( 4.563 0.000 3.626) 5.829 6.666 ( 4.470 0.000 -1.489) 4.712 6.704 ( 7.660 0.000 5.777) 9.595 6.739 ( 7.899 0.000 -5.414) 9.576 6.858 ( 2.114 0.000 6.339) 6.683 7.020 ( 2.778 0.000 -4.192) 5.029 7.160 ( 7.159 0.000 3.239) 7.857 7.202 ( 6.834 0.000 -3.035) 7.478 7.309 ( 5.212 0.000 -6.315) 8.188 7.344 ( 3.740 0.000 -2.741) 4.637 8.045 ( 3.527 0.000 6.524) 7.416 8.143 ( 1.639 0.000 2.927) 3.355 8.144 ( 2.725 0.000 -1.443) 3.083 8.205 ( 3.723 0.000 -3.407) 5.046 8.477 ( 2.525 0.000 5.774) 6.302 8.579 ( 6.325 0.000 11.337) 12.983 8.592 ( 4.431 0.000 -6.998) 8.282 8.811 ( 4.788 0.000 -4.388) 6.495 9.348 ( 11.978 0.000 6.205) 13.490 9.425 ( 11.600 0.000 -0.091) 11.601 9.710 ( 24.797 0.000 -7.852) 26.011 9.727 ( 14.713 0.000 -0.019) 14.713 9.839 ( 15.811 0.000 4.937) 16.564 10.046 ( 10.152 0.000 -1.868) 10.322 10.409 ( 7.770 0.000 2.646) 8.208 10.437 ( 9.312 0.000 -4.775) 10.465 10.770 ( 3.385 0.000 -0.758) 3.469 10.808 ( 4.573 0.000 -2.914) 5.422 11.005 ( -0.669 0.000 4.981) 5.026 11.056 ( -1.891 0.000 -4.058) 4.477 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 4.893 0.000 2.521) 5.504 2.032 ( 0.342 0.000 6.000) 6.009 2.088 ( 4.375 0.000 2.644) 5.112 2.109 ( -0.845 0.000 3.100) 3.213 2.226 ( 5.661 0.000 -3.568) 6.691 2.329 ( 5.632 0.000 -0.624) 5.667 2.445 ( -5.591 0.000 -0.401) 5.605 2.572 ( -0.197 0.000 -3.145) 3.151 2.730 ( 6.245 0.000 -3.467) 7.143 2.833 ( -5.996 0.000 0.598) 6.026 2.839 ( 6.781 0.000 -0.776) 6.825 2.907 ( -2.269 0.000 4.388) 4.940 3.086 ( 2.995 0.000 1.532) 3.364 3.202 ( -0.420 0.000 -6.725) 6.738 3.390 ( 6.210 0.000 -5.166) 8.078 3.419 ( -6.245 0.000 4.540) 7.721 3.450 ( 1.071 0.000 2.530) 2.747 3.597 ( -4.731 0.000 -1.806) 5.064 3.755 ( 0.207 0.000 2.642) 2.650 3.814 ( 2.820 0.000 -1.414) 3.155 4.021 ( 0.634 0.000 4.121) 4.170 4.177 ( -2.965 0.000 -2.912) 4.156 4.338 ( -1.088 0.000 9.855) 9.914 4.461 ( 1.702 0.000 -4.640) 4.942 4.761 ( 1.658 0.000 8.625) 8.782 4.920 ( 2.921 0.000 -5.085) 5.865 4.966 ( -0.538 0.000 10.620) 10.634 5.029 ( 2.716 0.000 2.724) 3.847 5.175 ( 5.395 0.000 -0.955) 5.479 5.205 ( 1.717 0.000 0.209) 1.730 5.209 ( -2.029 0.000 4.421) 4.864 5.256 ( 2.126 0.000 -5.499) 5.896 5.300 ( 3.154 0.000 -6.666) 7.374 5.302 ( -3.073 0.000 -3.887) 4.955 5.613 ( 3.023 0.000 4.121) 5.111 5.693 ( 2.579 0.000 -3.991) 4.752 5.971 ( 1.639 0.000 0.554) 1.730 6.029 ( -1.669 0.000 -1.848) 2.490 6.152 ( 2.636 0.000 2.498) 3.631 6.207 ( 0.603 0.000 0.052) 0.605 6.482 ( 0.983 0.000 1.770) 2.024 6.500 ( 2.642 0.000 -2.957) 3.966 6.615 ( 3.790 0.000 1.638) 4.129 6.710 ( -0.358 0.000 -2.567) 2.592 6.848 ( 3.164 0.000 6.492) 7.221 6.861 ( -0.151 0.000 6.594) 6.596 6.879 ( 5.570 0.000 -5.259) 7.660 7.036 ( -0.641 0.000 -5.251) 5.290 7.255 ( 2.140 0.000 2.632) 3.392 7.312 ( 3.560 0.000 -4.508) 5.744 7.385 ( 0.038 0.000 -0.221) 0.224 7.413 ( 4.095 0.000 -6.793) 7.931 8.106 ( 1.796 0.000 7.412) 7.627 8.159 ( 0.081 0.000 2.332) 2.333 8.173 ( 0.613 0.000 -0.607) 0.863 8.257 ( 1.153 0.000 -6.039) 6.149 8.514 ( 0.587 0.000 6.367) 6.394 8.646 ( 1.410 0.000 -7.928) 8.052 8.706 ( 4.472 0.000 12.594) 13.365 8.892 ( 2.289 0.000 -4.606) 5.143 9.529 ( 5.119 0.000 4.619) 6.895 9.593 ( 4.439 0.000 -0.291) 4.448 9.852 ( 2.375 0.000 4.469) 5.061 10.011 ( 4.153 0.000 -9.030) 9.939 10.183 ( 10.202 0.000 3.199) 10.691 10.225 ( 6.528 0.000 0.993) 6.603 10.534 ( 3.073 0.000 2.315) 3.847 10.586 ( 3.527 0.000 -4.835) 5.985 10.843 ( 3.593 0.000 0.170) 3.597 10.940 ( 6.167 0.000 -4.538) 7.657 10.976 ( -2.805 0.000 4.542) 5.339 10.999 ( -2.063 0.000 -4.586) 5.028 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -5.900 0.000 8.058) 9.987 2.014 ( -7.045 0.000 6.810) 9.799 2.107 ( -2.942 0.000 0.991) 3.104 2.114 ( 2.307 0.000 -0.860) 2.462 2.311 ( -3.844 0.000 -8.906) 9.700 2.337 ( 2.712 0.000 -1.154) 2.947 2.468 ( 3.622 0.000 7.292) 8.142 2.520 ( -3.908 0.000 -6.509) 7.592 2.672 ( -5.679 0.000 1.618) 5.905 2.807 ( -5.883 0.000 2.166) 6.269 2.856 ( 4.785 0.000 -1.174) 4.927 2.985 ( 3.512 0.000 -2.875) 4.538 3.096 ( -1.119 0.000 3.965) 4.120 3.136 ( -5.417 0.000 -3.421) 6.407 3.307 ( -4.542 0.000 3.353) 5.646 3.504 ( -2.722 0.000 -2.789) 3.898 3.512 ( 7.518 0.000 -1.452) 7.657 3.546 ( 3.285 0.000 -0.586) 3.337 3.788 ( 2.638 0.000 0.826) 2.764 3.836 ( 0.608 0.000 -5.465) 5.499 4.072 ( 3.693 0.000 7.608) 8.457 4.113 ( -3.258 0.000 -4.825) 5.822 4.317 ( -1.163 0.000 9.878) 9.946 4.477 ( 0.021 0.000 -4.162) 4.162 4.774 ( -0.960 0.000 9.187) 9.237 4.905 ( -3.239 0.000 -4.305) 5.387 4.954 ( -0.994 0.000 9.432) 9.484 5.093 ( 2.810 0.000 -0.294) 2.825 5.144 ( -5.518 0.000 5.393) 7.716 5.194 ( -4.375 0.000 -3.989) 5.921 5.216 ( -2.859 0.000 -1.144) 3.080 5.245 ( 0.098 0.000 0.035) 0.104 5.248 ( 0.281 0.000 -3.769) 3.780 5.372 ( 2.371 0.000 -7.765) 8.119 5.613 ( -2.881 0.000 4.171) 5.069 5.695 ( -2.515 0.000 -4.189) 4.886 5.988 ( -2.204 0.000 -1.316) 2.567 5.996 ( 0.853 0.000 1.682) 1.886 6.175 ( -0.430 0.000 3.209) 3.237 6.181 ( -3.174 0.000 -0.345) 3.192 6.456 ( -3.297 0.000 1.602) 3.666 6.515 ( -1.535 0.000 -1.674) 2.271 6.664 ( -3.180 0.000 -3.427) 4.676 6.670 ( 0.771 0.000 1.951) 2.098 6.774 ( -5.628 0.000 5.659) 7.981 6.920 ( 0.970 0.000 6.689) 6.759 6.950 ( 0.342 0.000 -4.561) 4.574 6.994 ( -2.565 0.000 -6.926) 7.385 7.254 ( -2.457 0.000 1.192) 2.731 7.330 ( -2.990 0.000 -1.032) 3.163 7.348 ( -2.104 0.000 -3.769) 4.317 7.441 ( -1.396 0.000 -5.951) 6.112 8.115 ( -1.224 0.000 6.620) 6.732 8.163 ( 0.270 0.000 2.948) 2.961 8.178 ( -0.167 0.000 -0.141) 0.218 8.242 ( -2.181 0.000 -6.773) 7.116 8.503 ( -1.888 0.000 6.905) 7.159 8.645 ( -1.179 0.000 -7.179) 7.275 8.758 ( -0.017 0.000 10.462) 10.462 8.879 ( -3.484 0.000 -6.121) 7.043 9.558 ( -2.703 0.000 3.592) 4.496 9.598 ( -3.671 0.000 -2.454) 4.416 9.840 ( -5.337 0.000 8.916) 10.392 9.974 ( -5.757 0.000 -8.738) 10.464 10.208 ( -7.444 0.000 2.903) 7.990 10.221 ( -7.964 0.000 -0.555) 7.983 10.519 ( -4.427 0.000 2.629) 5.148 10.565 ( -4.955 0.000 -2.443) 5.524 10.887 ( -4.696 0.000 -3.745) 6.006 10.888 ( -4.988 0.000 0.809) 5.053 10.919 ( 3.001 0.000 2.779) 4.090 11.088 ( 4.047 0.000 -6.092) 7.314 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -7.924 0.000 11.719) 14.147 1.822 ( -11.107 0.000 8.506) 13.990 2.019 ( -4.668 0.000 0.056) 4.668 2.113 ( -3.090 0.000 -3.923) 4.994 2.207 ( -6.462 0.000 -8.839) 10.949 2.220 ( -9.454 0.000 -6.309) 11.366 2.510 ( -1.506 0.000 2.032) 2.529 2.518 ( 1.287 0.000 4.187) 4.380 2.650 ( 3.187 0.000 -2.260) 3.906 2.682 ( -6.963 0.000 3.693) 7.882 2.784 ( -13.376 0.000 2.156) 13.549 2.898 ( -14.323 0.000 -4.948) 15.154 2.996 ( -6.185 0.000 -1.280) 6.317 3.005 ( -2.635 0.000 4.304) 5.047 3.348 ( 8.623 0.000 3.764) 9.409 3.517 ( 1.810 0.000 -2.362) 2.976 3.519 ( -4.588 0.000 3.259) 5.628 3.706 ( 9.563 0.000 -3.979) 10.357 3.854 ( 2.811 0.000 -4.244) 5.091 3.880 ( 3.911 0.000 -4.746) 6.150 4.065 ( 0.458 0.000 -2.057) 2.107 4.193 ( 7.978 0.000 6.544) 10.319 4.307 ( 0.052 0.000 7.417) 7.417 4.467 ( -0.504 0.000 -3.420) 3.457 4.745 ( -1.766 0.000 6.857) 7.081 4.829 ( -3.371 0.000 -1.842) 3.842 4.909 ( -4.308 0.000 4.886) 6.514 5.001 ( -6.947 0.000 2.964) 7.553 5.052 ( -8.437 0.000 -3.947) 9.315 5.063 ( -6.773 0.000 -4.435) 8.095 5.174 ( -0.936 0.000 4.502) 4.599 5.233 ( -1.715 0.000 -3.336) 3.751 5.243 ( -0.364 0.000 2.816) 2.839 5.400 ( 1.249 0.000 -6.714) 6.829 5.533 ( -3.895 0.000 4.267) 5.777 5.591 ( -6.744 0.000 -5.433) 8.660 5.937 ( -2.528 0.000 -1.321) 2.853 6.017 ( 1.257 0.000 2.910) 3.170 6.077 ( -6.763 0.000 -0.576) 6.788 6.142 ( -2.832 0.000 3.176) 4.255 6.363 ( -5.234 0.000 1.798) 5.535 6.432 ( -5.855 0.000 -1.915) 6.160 6.596 ( -3.411 0.000 -3.611) 4.967 6.619 ( -6.826 0.000 6.540) 9.454 6.657 ( -4.475 0.000 0.485) 4.501 6.835 ( -9.004 0.000 -7.313) 11.600 6.901 ( -3.280 0.000 7.043) 7.769 6.960 ( -2.591 0.000 -4.083) 4.836 7.161 ( -6.061 0.000 0.542) 6.085 7.208 ( -7.437 0.000 0.791) 7.479 7.297 ( -3.206 0.000 -6.359) 7.121 7.360 ( -5.599 0.000 -4.375) 7.106 8.073 ( -2.871 0.000 5.327) 6.051 8.157 ( -3.010 0.000 -2.542) 3.940 8.160 ( -1.040 0.000 2.125) 2.366 8.173 ( -2.945 0.000 -3.463) 4.546 8.446 ( -3.734 0.000 7.484) 8.364 8.592 ( -3.418 0.000 -5.777) 6.712 8.725 ( -3.087 0.000 6.466) 7.165 8.752 ( -7.877 0.000 -7.051) 10.572 9.419 ( -10.586 0.000 1.578) 10.703 9.440 ( -12.711 0.000 -1.906) 12.853 9.568 ( -20.757 0.000 5.338) 21.432 9.753 ( -18.059 0.000 -3.815) 18.457 9.943 ( -16.029 0.000 7.833) 17.841 9.950 ( -13.361 0.000 -6.521) 14.867 10.399 ( -5.637 0.000 1.075) 5.738 10.408 ( -9.152 0.000 0.679) 9.177 10.779 ( -4.871 0.000 -0.266) 4.879 10.798 ( -3.584 0.000 -2.986) 4.665 10.978 ( 2.429 0.000 3.222) 4.035 11.120 ( -0.131 0.000 -5.781) 5.782 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -10.438 0.000 10.207) 14.599 1.652 ( -8.825 0.000 16.031) 18.300 1.925 ( -4.486 0.000 -2.044) 4.930 1.966 ( -9.152 0.000 -8.736) 12.652 2.013 ( -12.055 0.000 -4.260) 12.786 2.064 ( -6.086 0.000 -3.446) 6.994 2.372 ( -14.843 0.000 3.985) 15.368 2.438 ( -14.667 0.000 2.781) 14.928 2.488 ( -20.596 0.000 -6.592) 21.626 2.494 ( -6.105 0.000 0.586) 6.133 2.564 ( 1.455 0.000 3.446) 3.741 2.697 ( -0.240 0.000 -5.811) 5.816 2.992 ( 5.792 0.000 3.386) 6.709 3.016 ( 2.126 0.000 2.801) 3.516 3.397 ( -7.060 0.000 3.006) 7.674 3.478 ( -4.300 0.000 -4.414) 6.162 3.577 ( 10.452 0.000 6.714) 12.423 3.845 ( 0.260 0.000 -3.029) 3.040 3.888 ( 5.490 0.000 -5.113) 7.503 3.958 ( 2.984 0.000 -1.633) 3.401 4.169 ( 7.381 0.000 -0.007) 7.381 4.294 ( 1.159 0.000 3.362) 3.556 4.424 ( 9.239 0.000 4.394) 10.231 4.472 ( 1.319 0.000 -2.265) 2.621 4.705 ( -2.648 0.000 3.205) 4.158 4.764 ( -2.904 0.000 2.638) 3.923 4.800 ( -4.553 0.000 1.128) 4.690 4.864 ( -10.423 0.000 -0.457) 10.433 4.876 ( -7.127 0.000 -2.982) 7.726 4.919 ( -0.430 0.000 -0.829) 0.934 5.150 ( -0.914 0.000 6.063) 6.131 5.175 ( -3.077 0.000 -3.894) 4.963 5.252 ( 1.897 0.000 3.118) 3.650 5.402 ( -3.416 0.000 -7.447) 8.193 5.478 ( -0.197 0.000 -3.395) 3.401 5.486 ( -0.947 0.000 2.675) 2.837 5.884 ( -2.773 0.000 -2.222) 3.553 5.910 ( -8.892 0.000 -1.270) 8.982 6.058 ( 2.576 0.000 3.962) 4.726 6.067 ( -4.461 0.000 3.565) 5.710 6.255 ( -4.831 0.000 1.863) 5.177 6.287 ( -7.915 0.000 -3.183) 8.531 6.457 ( -7.996 0.000 6.941) 10.588 6.507 ( -4.933 0.000 -3.756) 6.200 6.551 ( -5.973 0.000 -0.532) 5.997 6.622 ( -10.173 0.000 -4.586) 11.159 6.787 ( -7.390 0.000 6.117) 9.593 6.859 ( -6.937 0.000 -2.515) 7.379 7.027 ( -6.246 0.000 -0.202) 6.250 7.049 ( -7.569 0.000 -1.033) 7.639 7.212 ( -4.708 0.000 -4.730) 6.674 7.232 ( -5.921 0.000 -2.883) 6.585 8.000 ( -4.699 0.000 2.812) 5.476 8.049 ( -6.164 0.000 -4.517) 7.642 8.108 ( -4.284 0.000 0.238) 4.291 8.113 ( -4.174 0.000 0.240) 4.181 8.360 ( -4.741 0.000 6.483) 8.032 8.514 ( -3.781 0.000 -4.480) 5.862 8.584 ( -6.785 0.000 -5.023) 8.442 8.652 ( -4.334 0.000 2.322) 4.917 8.971 ( -26.411 0.000 9.019) 27.909 9.102 ( -21.281 0.000 -3.973) 21.648 9.145 ( -21.032 0.000 -3.793) 21.371 9.289 ( -20.053 0.000 0.545) 20.060 9.656 ( -10.320 0.000 8.228) 13.199 9.733 ( -8.549 0.000 -8.449) 12.019 10.230 ( -7.129 0.000 3.072) 7.763 10.315 ( -2.482 0.000 -1.821) 3.078 10.699 ( -2.544 0.000 1.515) 2.961 10.741 ( -1.682 0.000 -2.757) 3.229 11.036 ( 3.518 0.000 3.031) 4.644 11.107 ( -0.258 0.000 -3.921) 3.929 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -12.948 0.000 18.966) 22.964 1.434 ( -4.604 0.000 11.267) 12.171 1.775 ( -6.302 0.000 -1.253) 6.426 1.780 ( -7.969 0.000 -7.502) 10.945 1.856 ( -3.130 0.000 1.490) 3.467 1.939 ( -5.237 0.000 -3.363) 6.224 2.013 ( -15.352 0.000 2.503) 15.554 2.098 ( -13.664 0.000 -2.056) 13.818 2.241 ( -5.421 0.000 -2.324) 5.899 2.439 ( -1.714 0.000 -0.960) 1.964 2.658 ( 7.098 0.000 1.175) 7.195 2.687 ( 1.539 0.000 -6.890) 7.060 3.069 ( 1.249 0.000 1.655) 2.073 3.146 ( 6.945 0.000 3.906) 7.968 3.221 ( -9.708 0.000 2.018) 9.916 3.330 ( -6.954 0.000 -4.806) 8.453 3.800 ( 9.508 0.000 9.530) 13.462 3.826 ( -0.392 0.000 -0.613) 0.728 3.988 ( -0.649 0.000 -1.261) 1.418 4.028 ( 7.655 0.000 -2.622) 8.092 4.261 ( 0.119 0.000 -3.163) 3.165 4.324 ( 0.423 0.000 3.473) 3.499 4.446 ( -5.813 0.000 -0.202) 5.816 4.482 ( -0.220 0.000 -0.613) 0.651 4.619 ( -6.152 0.000 0.389) 6.164 4.711 ( -3.471 0.000 0.915) 3.590 4.773 ( 1.684 0.000 1.555) 2.293 4.789 ( 2.297 0.000 1.494) 2.740 4.832 ( 5.004 0.000 -0.693) 5.052 4.957 ( 3.474 0.000 5.146) 6.209 5.143 ( 1.170 0.000 -3.382) 3.578 5.203 ( 6.448 0.000 5.590) 8.534 5.307 ( -1.428 0.000 -6.358) 6.516 5.366 ( 6.205 0.000 -1.619) 6.413 5.475 ( -0.064 0.000 0.783) 0.785 5.531 ( 3.695 0.000 0.512) 3.730 5.730 ( -7.487 0.000 -1.220) 7.586 5.788 ( -7.237 0.000 -2.062) 7.525 5.937 ( -8.766 0.000 3.233) 9.344 6.042 ( -8.933 0.000 1.420) 9.045 6.185 ( 2.863 0.000 -0.354) 2.884 6.212 ( 1.623 0.000 0.857) 1.835 6.325 ( -4.103 0.000 5.625) 6.962 6.411 ( -3.298 0.000 -3.617) 4.894 6.425 ( -5.255 0.000 -0.600) 5.289 6.444 ( -6.299 0.000 -0.579) 6.325 6.641 ( -6.591 0.000 4.611) 8.044 6.683 ( -9.188 0.000 -1.743) 9.352 6.903 ( -5.597 0.000 -2.661) 6.197 6.916 ( -4.411 0.000 -0.420) 4.430 7.108 ( -4.449 0.000 -3.445) 5.627 7.127 ( -4.134 0.000 -2.881) 5.039 7.856 ( -8.683 0.000 -0.640) 8.707 7.902 ( -7.791 0.000 -2.166) 8.087 7.988 ( -5.877 0.000 -1.742) 6.130 7.990 ( -7.143 0.000 1.348) 7.269 8.282 ( -2.010 0.000 3.728) 4.235 8.418 ( -4.789 0.000 -3.589) 5.984 8.485 ( -8.709 0.000 5.899) 10.519 8.504 ( -1.517 0.000 -1.102) 1.875 8.633 ( -10.633 0.000 5.336) 11.897 8.695 ( -11.990 0.000 -10.386) 15.863 8.779 ( -8.072 0.000 3.331) 8.732 8.959 ( -13.026 0.000 2.039) 13.184 9.513 ( -4.468 0.000 4.009) 6.003 9.591 ( -4.213 0.000 -8.135) 9.161 10.132 ( -2.622 0.000 5.161) 5.788 10.289 ( -0.113 0.000 -7.009) 7.009 10.672 ( -0.531 0.000 2.953) 3.001 10.723 ( -0.108 0.000 -3.102) 3.103 11.126 ( 2.162 0.000 -0.397) 2.198 11.146 ( 6.665 0.000 0.878) 6.723 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -3.231 2.251 17.652) 18.086 1.391 ( 5.580 -0.336 15.904) 16.858 1.642 ( -0.055 -10.118 3.019) 10.559 1.662 ( 1.961 -1.676 -4.373) 5.077 1.703 ( -0.365 -8.259 0.466) 8.280 1.773 ( -2.293 0.254 -8.113) 8.434 1.847 ( 0.723 -2.314 -5.570) 6.075 1.933 ( -2.215 -3.723 -12.003) 12.760 2.299 ( 1.962 10.371 15.320) 18.604 2.521 ( -3.715 8.570 -6.467) 11.360 2.724 ( 0.916 -4.158 1.942) 4.679 2.762 ( -1.156 -0.757 -1.849) 2.308 3.099 ( -0.436 4.663 0.758) 4.744 3.128 ( 2.740 4.578 -2.597) 5.934 3.309 ( 0.665 6.224 2.696) 6.816 3.344 ( -1.776 6.156 -0.966) 6.480 3.748 ( 5.608 -6.693 4.444) 9.798 3.802 ( -4.261 -5.836 -0.854) 7.276 4.012 ( 2.469 -5.620 2.857) 6.771 4.053 ( -6.204 -5.436 0.213) 8.251 4.200 ( 5.309 1.663 2.279) 6.012 4.277 ( -2.744 3.490 -4.390) 6.244 4.437 ( 3.121 -1.909 4.307) 5.651 4.503 ( -3.740 0.217 -2.037) 4.264 4.583 ( -3.997 3.006 0.923) 5.085 4.616 ( 3.098 4.415 -0.850) 5.460 4.817 ( 1.176 1.369 2.014) 2.704 4.850 ( -0.964 1.061 -0.566) 1.541 4.947 ( 3.950 -3.672 1.754) 5.671 4.998 ( -4.712 -3.459 -2.676) 6.428 5.094 ( 3.696 -0.907 7.990) 8.850 5.236 ( -4.967 -2.347 -5.793) 7.983 5.429 ( 6.448 4.295 2.130) 8.035 5.469 ( -4.588 1.884 -1.697) 5.242 5.547 ( 12.348 -0.545 1.676) 12.473 5.587 ( -11.244 -0.159 -2.448) 11.509 5.645 ( 2.820 -0.231 1.154) 3.056 5.659 ( -0.468 -0.242 -0.191) 0.560 5.762 ( -1.910 -2.286 1.552) 3.359 5.792 ( 0.115 -3.659 -1.186) 3.848 6.239 ( -0.295 -0.143 1.169) 1.214 6.252 ( 1.089 -0.311 -0.253) 1.160 6.355 ( 2.432 0.664 0.621) 2.596 6.371 ( -0.260 -0.089 -1.032) 1.068 6.375 ( 1.251 -0.116 -0.241) 1.280 6.386 ( -0.001 -0.101 -1.087) 1.092 6.514 ( -3.092 0.908 2.892) 4.329 6.568 ( 0.833 -0.541 -2.310) 2.515 6.868 ( -2.028 2.580 0.397) 3.306 6.888 ( 0.758 1.729 -1.472) 2.394 7.083 ( 0.111 2.214 -1.126) 2.487 7.103 ( 0.252 2.085 -3.112) 3.755 7.791 ( 1.586 1.794 0.046) 2.395 7.798 ( -1.703 1.782 -0.525) 2.521 7.902 ( -1.112 1.435 1.341) 2.257 7.937 ( 0.404 0.696 -2.235) 2.375 8.241 ( 1.894 -3.325 2.173) 4.401 8.278 ( -2.161 -4.210 -1.539) 4.976 8.403 ( -2.556 1.665 7.344) 7.953 8.470 ( -1.530 -0.514 4.442) 4.726 8.544 ( 2.491 2.005 -0.281) 3.210 8.604 ( -0.033 0.057 -6.968) 6.968 8.801 ( -1.749 2.332 0.643) 2.985 8.838 ( 4.731 2.199 -3.350) 6.200 9.495 ( -1.104 3.090 2.399) 4.065 9.581 ( 0.861 2.014 -5.589) 6.003 9.978 ( 0.211 -8.583 4.172) 9.546 10.127 ( 0.190 -10.836 -9.975) 14.729 10.773 ( -0.391 7.449 3.105) 8.080 10.841 ( 0.110 6.957 -3.813) 7.934 11.128 ( 0.455 -3.102 2.731) 4.157 11.183 ( -1.305 -3.410 -3.048) 4.757 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 7.618 0.876 14.979) 16.828 1.574 ( 8.514 -0.655 12.679) 15.286 1.705 ( 7.322 -6.281 5.992) 11.357 1.761 ( 4.236 -3.919 -4.584) 7.370 1.819 ( 9.999 -0.168 -10.363) 14.401 1.858 ( 10.006 -3.128 -4.413) 11.375 1.984 ( 12.401 -4.165 -1.488) 13.166 2.021 ( 12.908 -4.617 -7.381) 15.570 2.373 ( 4.390 7.490 14.470) 16.875 2.436 ( -1.919 7.134 -3.683) 8.255 2.616 ( -5.772 -0.199 0.996) 5.861 2.713 ( -3.307 0.000 -1.876) 3.802 3.111 ( 0.237 3.396 -2.270) 4.091 3.237 ( -2.817 1.952 -0.261) 3.437 3.289 ( 5.239 3.260 -3.045) 6.881 3.330 ( 0.931 5.170 4.490) 6.910 3.718 ( -2.828 -4.646 -1.177) 5.564 3.872 ( -5.022 -4.644 1.839) 7.082 3.895 ( 4.236 -1.948 2.328) 5.211 4.127 ( -4.594 1.789 -3.976) 6.333 4.163 ( 2.914 1.776 5.732) 6.671 4.388 ( 5.848 -2.603 0.039) 6.401 4.414 ( -4.511 -1.017 -1.047) 4.741 4.477 ( -0.861 -1.595 1.962) 2.671 4.514 ( 0.255 2.148 3.256) 3.909 4.668 ( 0.259 1.945 1.026) 2.214 4.800 ( -1.147 2.112 1.612) 2.894 4.849 ( 0.986 0.642 2.066) 2.378 4.891 ( -1.822 -1.936 -3.228) 4.182 4.971 ( -1.590 -4.979 0.869) 5.299 5.088 ( -6.301 1.742 -3.059) 7.218 5.166 ( 2.927 -0.618 7.464) 8.041 5.288 ( -5.589 -2.532 -1.161) 6.245 5.306 ( -9.059 -2.609 -5.143) 10.739 5.513 ( -0.083 1.390 0.420) 1.455 5.544 ( -5.468 -0.938 -1.622) 5.780 5.707 ( 5.792 0.022 0.127) 5.794 5.796 ( 4.834 -0.182 1.593) 5.093 5.926 ( 13.555 -0.352 0.957) 13.593 6.042 ( 12.705 -0.515 -0.915) 12.749 6.199 ( -3.008 0.664 -0.756) 3.171 6.233 ( -0.099 0.170 -0.857) 0.879 6.353 ( 0.734 0.880 0.945) 1.486 6.410 ( 4.418 -1.072 -3.444) 5.703 6.439 ( 5.766 0.538 -0.757) 5.841 6.450 ( 5.587 -0.264 -0.704) 5.638 6.615 ( 8.182 1.027 3.648) 9.017 6.699 ( 8.267 -2.016 -2.410) 8.844 6.881 ( 4.311 3.315 2.530) 5.997 6.936 ( 4.080 0.515 -0.448) 4.137 7.146 ( 5.373 3.447 -1.353) 6.526 7.179 ( 5.828 2.490 -3.864) 7.423 7.889 ( 5.551 2.222 2.071) 6.327 7.892 ( 9.587 2.824 -0.764) 10.023 7.973 ( 6.782 1.224 0.999) 6.964 8.011 ( 5.095 0.226 -0.468) 5.121 8.294 ( 3.491 -2.874 -0.053) 4.522 8.312 ( 4.328 -2.938 2.694) 5.884 8.464 ( 3.336 1.253 4.000) 5.357 8.508 ( 11.643 -0.431 7.478) 13.844 8.652 ( 4.832 0.618 -7.025) 8.548 8.686 ( 11.343 -0.161 -0.212) 11.346 8.860 ( 8.734 4.436 -1.470) 9.906 9.032 ( 13.013 -0.194 -5.401) 14.090 9.518 ( 3.522 2.376 2.304) 4.833 9.641 ( 5.228 0.655 -3.905) 6.558 10.013 ( 3.066 -8.118 2.415) 9.008 10.144 ( 2.319 -8.565 -8.013) 11.956 10.770 ( 0.006 7.622 3.155) 8.249 10.838 ( -0.295 6.273 -2.939) 6.933 11.076 ( -5.496 -2.884 1.053) 6.295 11.096 ( -3.506 -3.701 1.110) 5.217 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 11.802 -0.349 10.684) 15.924 1.725 ( 6.780 -2.844 5.774) 9.348 1.862 ( 5.770 -2.744 -1.973) 6.687 1.896 ( 8.424 -2.478 4.333) 9.792 1.987 ( 8.222 1.983 -1.505) 8.591 2.111 ( 10.213 2.970 -10.236) 14.761 2.295 ( 14.093 -7.867 4.802) 16.839 2.332 ( 11.974 -5.977 -5.305) 14.396 2.515 ( 12.051 1.423 2.237) 12.339 2.531 ( 9.666 2.847 3.335) 10.614 2.595 ( 3.614 3.442 2.527) 5.594 2.683 ( 2.171 2.293 -2.348) 3.935 3.088 ( -1.544 3.037 -3.058) 4.578 3.114 ( -5.574 5.147 -1.439) 7.722 3.370 ( 2.413 -3.980 -0.095) 4.655 3.401 ( 2.766 -3.927 -0.056) 4.804 3.642 ( -4.651 -0.138 -3.003) 5.537 3.779 ( -4.099 1.478 5.638) 7.126 3.910 ( -4.338 2.588 -0.148) 5.053 3.992 ( -4.862 6.852 -0.205) 8.405 4.170 ( -4.853 0.237 2.086) 5.288 4.281 ( -6.368 -8.098 4.636) 11.297 4.417 ( -1.263 -0.523 1.501) 2.030 4.465 ( 0.761 4.305 -3.267) 5.458 4.597 ( 4.436 -4.438 5.113) 8.094 4.718 ( 5.255 1.220 3.009) 6.177 4.815 ( 2.468 -0.031 0.794) 2.593 4.848 ( -1.523 0.601 -0.794) 1.819 4.937 ( 5.032 3.655 1.106) 6.317 4.979 ( 4.527 -7.701 3.332) 9.534 5.062 ( 3.477 2.609 -3.141) 5.363 5.199 ( -1.246 -5.823 0.411) 5.969 5.214 ( -0.411 -3.827 -4.153) 5.662 5.259 ( 2.692 -1.536 1.883) 3.627 5.475 ( 0.352 2.158 0.246) 2.200 5.551 ( 3.475 0.156 -1.390) 3.746 5.841 ( 5.573 0.305 0.376) 5.594 5.904 ( 6.314 -0.759 1.215) 6.474 6.082 ( 2.525 -0.596 -1.718) 3.112 6.105 ( -1.401 -0.453 -1.758) 2.293 6.261 ( 6.888 1.692 2.249) 7.441 6.362 ( 9.421 -0.237 0.366) 9.431 6.401 ( 3.308 1.971 -0.816) 3.936 6.527 ( 6.460 -1.548 -2.625) 7.143 6.566 ( 5.847 0.642 0.022) 5.882 6.584 ( 6.896 -0.682 -0.612) 6.956 6.772 ( 6.296 0.903 3.269) 7.151 6.868 ( 7.807 -2.768 -4.479) 9.417 7.027 ( 8.430 3.071 4.024) 9.833 7.065 ( 7.856 1.045 -0.226) 7.928 7.269 ( 5.833 4.280 -2.040) 7.517 7.304 ( 5.932 3.301 -4.659) 8.233 7.994 ( 4.697 2.607 4.908) 7.276 8.071 ( 4.788 -0.240 1.817) 5.127 8.100 ( 6.491 3.303 -1.158) 7.375 8.129 ( 5.406 1.482 -0.831) 5.667 8.389 ( 5.242 -1.888 5.549) 7.864 8.436 ( 6.426 -2.221 -1.350) 6.932 8.507 ( 2.366 3.206 4.297) 5.860 8.697 ( 3.588 -2.868 -2.939) 5.453 8.989 ( 23.993 -0.117 2.328) 24.106 9.085 ( 25.971 -1.278 -1.153) 26.028 9.166 ( 19.359 4.751 -1.995) 20.033 9.330 ( 15.961 0.428 -3.532) 16.353 9.647 ( 8.418 1.453 2.349) 8.860 9.800 ( 10.070 -1.343 -1.340) 10.247 10.123 ( 7.936 -6.349 0.118) 10.164 10.230 ( 6.332 -6.113 -5.588) 10.426 10.780 ( 1.134 6.133 1.539) 6.424 10.828 ( -0.264 4.747 -1.818) 5.090 11.001 ( -1.542 -2.070 2.928) 3.903 11.047 ( -1.062 -3.653 -1.240) 4.001 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 8.604 -3.197 0.927) 9.226 1.865 ( 5.826 -3.959 8.695) 11.190 1.981 ( 6.203 0.006 -1.144) 6.308 2.062 ( 7.304 -0.861 3.572) 8.177 2.143 ( 6.348 3.416 1.487) 7.360 2.256 ( 5.144 3.549 -6.375) 8.927 2.461 ( 1.716 -6.576 3.390) 7.595 2.472 ( 3.447 -4.641 -3.276) 6.645 2.633 ( 2.263 0.611 0.259) 2.358 2.757 ( 7.931 -3.108 3.062) 9.052 2.804 ( 6.461 2.034 -1.808) 7.011 2.815 ( 9.918 1.587 -1.720) 10.191 3.049 ( 2.590 5.797 1.741) 6.584 3.140 ( 6.039 4.248 -4.662) 8.732 3.366 ( -4.695 -7.141 0.198) 8.548 3.393 ( -2.080 -4.398 -3.623) 6.065 3.588 ( 1.041 3.774 -0.406) 3.936 3.719 ( -1.430 -0.268 3.330) 3.634 3.759 ( -8.147 4.567 0.362) 9.347 3.905 ( -5.419 3.724 2.900) 7.187 4.057 ( -1.807 2.075 1.846) 3.313 4.227 ( -0.488 -2.629 5.352) 5.983 4.375 ( -2.228 1.036 2.264) 3.341 4.474 ( 0.154 3.893 -4.340) 5.832 4.681 ( 3.417 -3.691 6.132) 7.931 4.779 ( 1.976 -3.151 -1.960) 4.204 4.837 ( 0.598 -2.797 5.950) 6.602 4.953 ( 6.013 -0.637 -1.025) 6.133 5.053 ( 5.659 -3.092 3.062) 7.138 5.087 ( 4.643 -1.994 4.121) 6.521 5.167 ( 5.860 2.310 -4.405) 7.686 5.174 ( -0.252 -5.084 0.981) 5.184 5.243 ( 2.459 -2.309 -5.392) 6.360 5.311 ( 1.854 -1.883 -0.560) 2.701 5.553 ( 5.474 3.603 2.490) 7.010 5.636 ( 4.263 0.727 -2.805) 5.155 5.929 ( 3.454 1.273 0.385) 3.701 6.040 ( 5.098 -1.904 -0.084) 5.442 6.073 ( 0.042 0.660 -1.817) 1.934 6.143 ( 2.537 -1.551 -0.549) 3.023 6.394 ( 5.622 0.813 1.158) 5.797 6.466 ( 3.079 0.285 1.274) 3.344 6.539 ( 6.558 1.930 -0.633) 6.866 6.664 ( 6.536 -1.806 -1.432) 6.931 6.677 ( 4.569 0.193 0.286) 4.582 6.722 ( 6.239 -1.914 0.937) 6.593 6.867 ( 2.742 1.415 2.724) 4.116 6.985 ( 3.260 -2.867 -4.735) 6.423 7.206 ( 7.929 3.475 4.007) 9.540 7.233 ( 7.810 2.138 -1.319) 8.204 7.374 ( 4.354 4.596 -2.436) 6.784 7.410 ( 4.302 3.686 -4.361) 7.150 8.088 ( 3.937 3.226 6.312) 8.108 8.142 ( 2.338 0.286 3.162) 3.943 8.189 ( 2.049 3.255 -1.755) 4.228 8.224 ( 3.725 1.236 -2.947) 4.908 8.502 ( 4.040 1.115 6.094) 7.396 8.533 ( 4.427 -2.536 1.775) 5.402 8.586 ( 4.158 0.139 0.491) 4.189 8.778 ( 4.494 -3.125 -3.750) 6.635 9.375 ( 13.192 2.651 5.010) 14.358 9.459 ( 10.787 2.508 -0.029) 11.074 9.647 ( 19.163 -3.795 -2.829) 19.739 9.713 ( 16.069 -2.762 -5.323) 17.152 9.881 ( 16.683 3.489 4.249) 17.566 10.030 ( 11.473 -1.246 1.670) 11.660 10.334 ( 11.090 -4.142 -0.986) 11.879 10.392 ( 8.947 -4.178 -5.196) 11.158 10.820 ( 2.329 3.674 -0.184) 4.354 10.846 ( 2.707 2.536 -1.437) 3.978 10.993 ( -0.091 -0.982 3.912) 4.034 11.031 ( -0.985 -2.072 -3.164) 3.908 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.858 -5.624 5.017) 7.585 1.928 ( 2.384 -5.978 -1.061) 6.522 2.126 ( 5.276 1.858 3.197) 6.443 2.185 ( 3.744 2.466 5.367) 6.993 2.250 ( 4.151 1.871 -0.350) 4.567 2.326 ( 2.083 0.268 -1.266) 2.452 2.423 ( -3.388 -2.053 -0.327) 3.975 2.502 ( 0.105 -4.588 -3.703) 5.898 2.723 ( 6.331 0.198 -2.707) 6.888 2.843 ( 1.974 -2.293 0.996) 3.185 2.858 ( -3.867 1.813 -0.045) 4.271 2.893 ( 1.126 0.451 -1.581) 1.993 3.121 ( 1.949 2.722 3.018) 4.508 3.217 ( -1.747 0.693 -3.569) 4.034 3.336 ( 0.814 -3.027 1.463) 3.459 3.372 ( 3.893 -1.006 -2.474) 4.721 3.581 ( -4.386 6.629 1.806) 8.151 3.617 ( -1.227 2.323 -2.324) 3.508 3.756 ( 2.603 -0.467 0.730) 2.743 3.816 ( -2.133 -1.213 0.128) 2.457 4.085 ( 2.822 6.427 5.861) 9.145 4.230 ( -0.115 3.925 -0.372) 3.944 4.344 ( -0.942 0.038 6.112) 6.184 4.465 ( -0.845 -0.219 -4.070) 4.162 4.744 ( 1.949 -1.514 7.157) 7.570 4.804 ( -0.270 -6.652 2.733) 7.197 4.865 ( 2.983 -6.389 1.453) 7.199 4.975 ( -2.364 -6.960 -2.472) 7.755 5.145 ( 1.600 -1.088 4.225) 4.646 5.167 ( 2.830 -1.472 5.333) 6.215 5.218 ( 3.181 -0.132 -1.199) 3.402 5.270 ( 0.693 0.962 -5.020) 5.158 5.278 ( 3.060 -1.438 -3.409) 4.802 5.321 ( -0.125 0.595 -3.876) 3.923 5.645 ( 2.428 2.287 2.965) 4.462 5.705 ( 2.021 0.378 -2.838) 3.504 5.989 ( 2.146 1.957 0.654) 2.977 6.047 ( -1.145 1.758 -2.084) 2.957 6.138 ( 2.720 -1.925 1.139) 3.521 6.177 ( 0.321 -2.334 -0.129) 2.360 6.484 ( 2.626 0.652 0.984) 2.879 6.512 ( 1.036 0.391 0.457) 1.198 6.646 ( 4.018 2.499 -0.070) 4.732 6.719 ( -0.403 0.830 -1.583) 1.832 6.790 ( 4.835 -3.790 -0.416) 6.158 6.812 ( 0.846 -2.944 2.447) 3.920 6.906 ( 1.904 1.761 2.288) 3.458 7.008 ( -0.419 -2.192 -4.383) 4.919 7.325 ( 3.102 4.913 3.011) 6.545 7.366 ( 4.246 3.124 -2.745) 5.943 7.441 ( 1.580 4.165 -0.858) 4.536 7.472 ( 1.922 3.300 -4.565) 5.952 8.152 ( 1.441 3.305 6.786) 7.684 8.172 ( 0.881 1.572 2.790) 3.321 8.207 ( 0.209 2.631 -1.143) 2.876 8.272 ( 1.001 0.722 -4.038) 4.223 8.547 ( 0.640 3.023 3.350) 4.557 8.615 ( 2.219 -2.109 -3.172) 4.408 8.668 ( 3.426 -2.644 8.511) 9.548 8.851 ( 1.917 -3.896 -5.330) 6.875 9.566 ( 5.084 3.077 3.771) 7.038 9.614 ( 3.997 1.699 -0.162) 4.346 9.818 ( 2.794 -2.441 3.780) 5.296 9.930 ( 3.692 -6.422 -5.894) 9.466 10.203 ( 9.398 1.935 2.154) 9.834 10.251 ( 7.347 1.567 -0.256) 7.517 10.501 ( 4.010 -2.205 1.012) 4.687 10.549 ( 4.408 -2.900 -4.523) 6.949 10.871 ( 2.633 2.062 0.484) 3.379 10.937 ( 4.086 -0.472 -1.301) 4.314 10.978 ( -1.777 0.179 1.000) 2.047 10.995 ( -1.260 -0.418 -3.248) 3.509 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -5.610 -4.772 7.047) 10.193 1.949 ( -0.753 -8.104 0.827) 8.181 2.128 ( -4.766 4.814 7.670) 10.233 2.191 ( -2.630 3.171 -2.825) 4.995 2.301 ( -1.451 -1.204 -3.254) 3.761 2.355 ( 0.061 -1.285 -0.942) 1.594 2.403 ( 1.545 -2.660 3.118) 4.380 2.487 ( -0.379 -2.672 -4.713) 5.431 2.707 ( -5.987 3.482 -1.308) 7.048 2.809 ( -1.165 0.960 2.290) 2.743 2.871 ( 0.661 0.021 -1.456) 1.599 2.934 ( 1.782 -4.224 -3.729) 5.910 3.123 ( -1.476 2.936 4.804) 5.821 3.178 ( -2.452 2.424 -1.955) 3.964 3.304 ( -3.525 -0.802 3.309) 4.901 3.404 ( -0.779 -4.991 -3.903) 6.384 3.563 ( 1.414 3.497 3.097) 4.881 3.640 ( 3.968 5.981 -3.906) 8.172 3.763 ( -0.573 -1.295 -0.086) 1.419 3.844 ( 3.899 -0.773 -2.692) 4.800 4.132 ( 0.226 5.213 5.642) 7.685 4.210 ( -0.524 7.333 -4.094) 8.414 4.340 ( 0.019 1.432 8.198) 8.322 4.442 ( -0.965 -3.540 -2.187) 4.271 4.734 ( -2.091 -1.851 5.971) 6.592 4.830 ( 1.090 -4.903 3.634) 6.199 4.888 ( -2.232 -5.640 0.952) 6.140 4.951 ( 2.087 -9.889 -3.184) 10.597 5.136 ( -3.198 -0.054 5.901) 6.713 5.176 ( -1.391 -1.080 4.177) 4.534 5.217 ( -4.354 -0.397 -2.133) 4.865 5.234 ( -2.428 -0.825 -2.168) 3.358 5.285 ( -0.777 1.857 -4.440) 4.875 5.361 ( 1.801 -0.991 -6.155) 6.489 5.644 ( -2.368 2.276 3.191) 4.579 5.704 ( -2.169 0.253 -2.824) 3.570 6.002 ( -2.041 1.654 -0.161) 2.632 6.022 ( -0.094 2.152 0.029) 2.154 6.145 ( -3.352 -2.733 0.136) 4.327 6.162 ( -0.464 -1.751 1.624) 2.433 6.485 ( -2.317 2.108 1.098) 3.319 6.518 ( -0.933 0.283 -0.273) 1.013 6.653 ( -3.913 0.201 -0.625) 3.968 6.699 ( -1.374 0.917 0.943) 1.902 6.760 ( -3.596 -0.641 1.052) 3.801 6.859 ( 0.732 -4.277 -1.111) 4.479 6.937 ( -0.174 -0.063 1.989) 1.998 6.975 ( -2.211 -1.293 -4.272) 4.981 7.332 ( -2.692 5.625 1.156) 6.342 7.389 ( -1.401 3.624 -2.306) 4.518 7.423 ( -3.331 4.545 -1.729) 5.895 7.477 ( -1.683 2.280 -3.928) 4.843 8.150 ( -1.314 2.657 5.689) 6.415 8.188 ( 0.081 2.159 3.771) 4.346 8.204 ( -0.530 1.983 -0.696) 2.167 8.260 ( -1.995 0.927 -4.231) 4.769 8.534 ( -2.002 3.338 3.212) 5.046 8.627 ( -0.723 -1.109 -4.660) 4.844 8.711 ( 0.188 -3.701 9.373) 10.079 8.834 ( -3.412 -4.211 -6.878) 8.757 9.590 ( -2.842 2.580 2.646) 4.662 9.614 ( -3.939 1.322 -1.469) 4.407 9.808 ( -5.182 -2.231 6.764) 8.808 9.906 ( -5.009 -5.307 -5.668) 9.240 10.225 ( -6.953 1.624 2.282) 7.496 10.249 ( -7.714 1.798 -2.004) 8.171 10.487 ( -5.511 -2.150 2.105) 6.279 10.532 ( -5.491 -2.730 -2.861) 6.766 10.896 ( -2.827 0.749 -1.009) 3.093 10.900 ( -3.800 0.633 0.660) 3.908 10.940 ( 1.312 1.899 0.481) 2.357 11.061 ( 3.167 -2.327 -4.780) 6.188 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -8.410 -3.111 9.843) 13.315 1.895 ( -4.314 -9.100 2.759) 10.442 1.982 ( -8.725 7.264 8.599) 14.242 2.111 ( -5.509 0.324 -4.499) 7.120 2.173 ( -8.372 -0.438 -7.552) 11.283 2.300 ( -5.117 1.335 -3.782) 6.502 2.393 ( -3.561 -5.006 2.251) 6.543 2.510 ( 0.378 -2.321 -1.343) 2.708 2.666 ( 1.611 1.842 -2.196) 3.288 2.725 ( -6.458 2.358 2.435) 7.293 2.778 ( -12.130 -0.383 2.482) 12.387 2.863 ( -8.526 -3.494 -4.797) 10.388 3.058 ( -4.682 5.045 3.937) 7.930 3.071 ( -5.210 5.482 -0.815) 7.607 3.292 ( 3.247 -4.195 3.897) 6.582 3.412 ( 0.956 -7.308 -1.595) 7.541 3.568 ( -0.683 3.623 1.709) 4.063 3.759 ( 6.067 -1.300 -1.582) 6.404 3.802 ( 4.997 3.426 -3.390) 6.943 3.959 ( 6.838 1.258 -2.938) 7.548 4.098 ( -1.491 3.936 -1.283) 4.400 4.249 ( 3.961 3.396 1.976) 5.580 4.343 ( -0.017 2.269 5.673) 6.110 4.433 ( 0.119 -2.147 0.207) 2.161 4.697 ( -1.405 -1.320 4.868) 5.236 4.772 ( -4.555 -4.676 -2.148) 6.872 4.878 ( -1.782 -2.881 5.789) 6.707 4.967 ( -1.064 -5.038 -5.697) 7.679 5.034 ( -5.694 2.057 5.807) 8.389 5.096 ( -6.509 -1.540 -1.987) 6.978 5.143 ( -1.592 -2.014 4.486) 5.169 5.178 ( -2.307 -3.098 -0.159) 3.866 5.215 ( -5.611 0.637 -4.644) 7.311 5.366 ( -0.814 -3.044 -5.693) 6.506 5.575 ( -3.706 2.821 3.050) 5.567 5.619 ( -5.318 1.362 -3.427) 6.472 5.941 ( -3.329 0.795 -0.947) 3.552 6.016 ( -1.405 -0.736 1.826) 2.419 6.053 ( -4.291 -0.782 0.460) 4.385 6.126 ( -2.739 -1.711 1.509) 3.565 6.407 ( -4.936 3.517 0.797) 6.113 6.456 ( -4.751 1.833 -0.226) 5.097 6.563 ( -4.488 -1.616 -1.499) 5.000 6.597 ( -7.115 -1.939 4.190) 8.482 6.690 ( -4.503 1.593 -1.471) 4.998 6.786 ( -7.370 -3.627 -3.651) 8.989 6.886 ( -3.945 -0.046 2.106) 4.473 6.936 ( -2.474 -1.526 -1.627) 3.331 7.223 ( -7.106 4.646 -0.211) 8.493 7.296 ( -8.419 3.915 -2.890) 9.724 7.333 ( -3.652 3.755 -0.978) 5.328 7.405 ( -4.657 2.752 -3.323) 6.349 8.109 ( -2.936 2.930 5.383) 6.796 8.173 ( -1.900 0.810 2.644) 3.355 8.176 ( -2.828 0.517 -1.762) 3.372 8.195 ( -3.228 2.234 -2.916) 4.890 8.471 ( -4.122 2.899 3.533) 6.154 8.588 ( -2.533 -0.130 -3.601) 4.405 8.685 ( -3.720 -3.185 4.091) 6.381 8.718 ( -5.889 -3.352 -4.730) 8.264 9.438 ( -13.975 0.755 -0.545) 14.006 9.457 ( -10.035 1.926 0.840) 10.252 9.546 ( -20.573 -1.018 4.341) 21.050 9.706 ( -15.370 -4.154 -3.756) 16.358 9.976 ( -14.820 2.867 5.202) 15.966 9.987 ( -14.270 3.029 -4.894) 15.387 10.314 ( -9.842 -5.021 2.728) 11.381 10.361 ( -9.109 -4.870 -3.461) 10.893 10.822 ( -3.109 3.372 0.147) 4.589 10.836 ( -2.186 2.420 -1.121) 3.449 10.975 ( 1.388 -0.123 2.229) 2.628 11.082 ( -0.454 -3.194 -4.433) 5.483 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -8.946 -1.586 12.401) 15.373 1.789 ( -5.574 -10.014 3.865) 12.095 1.794 ( -10.214 7.960 11.765) 17.496 1.911 ( -11.887 -1.710 -7.591) 14.207 2.020 ( -7.343 -1.222 -6.867) 10.128 2.140 ( -10.356 2.836 -3.806) 11.392 2.243 ( -11.612 -6.043 0.741) 13.111 2.404 ( -12.826 -4.237 -6.009) 14.784 2.464 ( -14.380 2.574 4.635) 15.326 2.557 ( -6.654 0.478 1.215) 6.781 2.653 ( -4.276 5.516 -0.507) 6.998 2.703 ( 0.119 0.599 -5.529) 5.563 3.029 ( 1.583 1.820 2.877) 3.754 3.072 ( 4.221 6.462 2.914) 8.250 3.312 ( -1.881 -6.773 3.393) 7.805 3.433 ( 0.644 -6.599 -1.100) 6.721 3.595 ( 2.865 4.944 1.764) 5.980 3.857 ( 3.272 -2.773 -1.863) 4.676 3.908 ( 4.084 3.527 -1.028) 5.493 4.011 ( -0.244 5.544 -1.460) 5.739 4.197 ( 8.590 1.574 -0.761) 8.766 4.334 ( 1.574 -4.264 -0.359) 4.560 4.374 ( 4.577 2.002 4.166) 6.505 4.427 ( -1.031 -2.748 2.268) 3.709 4.668 ( -4.353 -4.740 -2.020) 6.745 4.713 ( 2.141 1.004 4.575) 5.150 4.772 ( -6.504 -1.250 0.565) 6.647 4.883 ( -6.213 3.697 0.604) 7.255 4.964 ( -2.815 1.816 0.378) 3.371 4.980 ( -2.855 1.932 -3.410) 4.848 5.087 ( -4.565 -3.430 -1.481) 5.899 5.104 ( -0.939 -3.705 3.761) 5.362 5.186 ( 2.646 -4.089 1.493) 5.094 5.346 ( -0.807 -5.466 -5.136) 7.544 5.507 ( -2.655 2.420 -1.874) 4.052 5.527 ( -2.074 2.027 0.051) 2.901 5.855 ( -5.461 -0.466 -1.174) 5.605 5.923 ( -4.911 -1.157 -0.673) 5.090 6.037 ( -0.225 -0.151 2.619) 2.633 6.074 ( -1.373 -0.280 2.028) 2.465 6.285 ( -6.762 2.757 2.581) 7.745 6.324 ( -8.320 2.859 -2.729) 9.211 6.437 ( -7.124 -1.673 5.895) 9.397 6.467 ( -4.690 -2.390 -3.609) 6.382 6.567 ( -6.688 0.428 -0.293) 6.708 6.606 ( -8.819 -1.774 -2.101) 9.237 6.776 ( -6.415 0.826 2.325) 6.873 6.849 ( -5.856 -1.384 -2.112) 6.378 7.065 ( -7.566 3.065 -0.198) 8.166 7.102 ( -9.341 2.704 -2.770) 10.112 7.241 ( -5.107 3.447 -0.036) 6.161 7.292 ( -5.876 2.975 -3.532) 7.474 8.027 ( -5.474 2.288 3.596) 6.937 8.074 ( -6.000 1.129 -3.237) 6.910 8.103 ( -5.037 -0.025 1.755) 5.334 8.131 ( -3.859 1.125 -1.981) 4.481 8.370 ( -5.639 1.473 3.371) 6.733 8.514 ( -6.225 -1.746 -5.270) 8.341 8.561 ( -3.131 0.317 -0.818) 3.252 8.658 ( -2.035 -0.358 1.858) 2.778 8.967 ( -26.787 0.081 6.502) 27.565 9.060 ( -24.887 -3.106 -4.297) 25.445 9.184 ( -16.874 3.202 -0.466) 17.182 9.302 ( -19.645 0.150 -0.755) 19.660 9.703 ( -10.268 3.681 6.253) 12.573 9.749 ( -8.792 2.182 -7.445) 11.726 10.118 ( -8.090 -7.402 3.699) 11.572 10.212 ( -4.990 -8.137 -5.496) 11.014 10.782 ( -0.729 6.233 2.163) 6.638 10.816 ( 0.358 5.021 -1.459) 5.241 11.010 ( 2.599 -2.197 2.142) 4.021 11.064 ( -0.487 -3.736 -2.786) 4.686 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -4.290 -1.192 14.955) 15.603 1.509 ( -15.889 4.356 16.335) 23.201 1.686 ( -4.157 -11.311 5.359) 13.188 1.718 ( -5.731 0.609 -8.481) 10.254 1.836 ( -10.207 -8.290 -1.195) 13.204 1.916 ( -8.263 3.573 -5.902) 10.765 1.957 ( -12.689 -3.226 -3.590) 13.576 2.092 ( -12.631 -2.260 -10.214) 16.400 2.293 ( -2.940 7.026 8.828) 11.659 2.532 ( 2.399 3.195 -0.512) 4.028 2.666 ( 1.937 1.306 -2.122) 3.156 2.706 ( 3.075 1.094 -3.905) 5.089 3.072 ( 1.714 1.982 1.577) 3.059 3.195 ( 3.307 2.465 3.848) 5.641 3.243 ( -2.327 1.892 1.849) 3.523 3.404 ( -3.069 3.689 -2.907) 5.610 3.657 ( 3.042 -3.641 4.184) 6.326 3.880 ( -1.173 -3.921 1.057) 4.227 3.944 ( 0.626 -2.292 -2.233) 3.261 4.070 ( 5.356 5.390 1.596) 7.764 4.246 ( -6.526 -4.676 -0.982) 8.088 4.356 ( -1.170 0.293 2.401) 2.687 4.368 ( 1.420 -0.105 2.014) 2.466 4.519 ( 4.191 -0.295 -0.477) 4.229 4.575 ( -2.360 -0.181 -2.268) 3.279 4.678 ( -3.097 -0.382 -0.536) 3.166 4.774 ( 1.248 0.216 2.245) 2.578 4.818 ( 3.030 2.315 3.798) 5.382 4.912 ( -2.846 2.209 -3.111) 4.760 4.985 ( 5.123 0.689 5.077) 7.245 5.037 ( -0.301 -4.633 -3.162) 5.618 5.191 ( 8.687 -0.501 4.374) 9.739 5.293 ( 7.260 -3.360 0.470) 8.014 5.310 ( -1.201 -3.886 -6.670) 7.812 5.517 ( 0.641 1.594 -0.443) 1.774 5.521 ( 3.939 0.817 0.667) 4.078 5.722 ( -6.423 0.725 -1.336) 6.600 5.824 ( -5.451 0.274 -1.197) 5.587 5.931 ( -10.758 0.430 0.888) 10.803 6.003 ( -11.273 -2.004 2.863) 11.802 6.193 ( 1.920 0.512 -0.130) 1.991 6.214 ( 0.785 0.041 1.201) 1.435 6.331 ( -2.807 0.542 3.820) 4.771 6.391 ( -2.188 -1.136 -2.777) 3.713 6.434 ( -5.724 -0.116 0.023) 5.725 6.441 ( -6.196 -0.317 0.042) 6.205 6.640 ( -6.685 1.004 1.650) 6.958 6.693 ( -8.600 -0.305 -2.359) 8.923 6.932 ( -5.069 1.993 -0.508) 5.470 6.937 ( -5.318 2.008 -2.076) 6.052 7.136 ( -4.456 2.538 -0.447) 5.147 7.170 ( -5.262 2.246 -3.358) 6.634 7.876 ( -8.296 1.779 0.703) 8.514 7.924 ( -8.266 0.958 -1.070) 8.390 7.982 ( -5.718 0.609 -0.227) 5.755 8.021 ( -6.385 1.246 -1.721) 6.729 8.260 ( -3.975 -0.903 2.399) 4.730 8.373 ( -6.214 -3.814 -2.640) 7.755 8.506 ( -7.232 2.466 0.570) 7.662 8.537 ( -4.869 2.151 3.983) 6.648 8.627 ( -10.234 -0.686 4.174) 11.074 8.662 ( -6.300 -2.029 -6.132) 9.022 8.847 ( -9.641 4.562 -0.127) 10.667 8.967 ( -12.741 0.109 1.398) 12.818 9.554 ( -4.773 3.393 3.382) 6.762 9.613 ( -3.837 2.202 -6.908) 8.203 10.004 ( -3.163 -8.250 4.274) 9.815 10.142 ( -1.583 -10.490 -8.105) 13.350 10.779 ( -0.182 7.526 2.844) 8.047 10.834 ( 0.854 7.257 -3.095) 7.936 11.082 ( 2.686 -3.778 0.461) 4.658 11.110 ( 6.116 -3.238 -0.017) 6.920 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -0.852 -7.145 14.186) 15.907 1.382 ( -0.852 7.145 14.186) 15.907 1.507 ( 2.365 -7.116 8.691) 11.479 1.507 ( 2.365 7.116 8.691) 11.479 1.720 ( 0.714 -3.871 -8.600) 9.458 1.720 ( 0.714 3.871 -8.600) 9.458 1.855 ( -2.873 -2.809 -11.519) 12.200 1.855 ( -2.873 2.809 -11.519) 12.200 2.537 ( 1.636 -9.467 10.485) 14.221 2.537 ( 1.636 9.467 10.485) 14.221 2.702 ( -2.570 -4.619 -5.498) 7.627 2.702 ( -2.570 4.620 -5.498) 7.627 3.181 ( 1.662 -1.061 -1.059) 2.238 3.181 ( 1.662 1.061 -1.059) 2.238 3.441 ( 0.675 -2.450 2.740) 3.737 3.441 ( 0.675 2.450 2.740) 3.737 3.674 ( -0.497 -3.494 -0.604) 3.581 3.674 ( -0.497 3.494 -0.604) 3.581 3.932 ( -0.616 -1.704 0.759) 1.965 3.932 ( -0.616 1.704 0.759) 1.965 4.277 ( 0.837 -3.020 2.546) 4.038 4.277 ( 0.837 3.020 2.546) 4.038 4.453 ( -1.495 -2.765 -1.495) 3.481 4.453 ( -1.495 2.765 -1.495) 3.481 4.716 ( 0.734 -3.397 2.690) 4.394 4.716 ( 0.734 3.397 2.690) 4.394 4.800 ( -0.510 -3.342 -0.651) 3.443 4.800 ( -0.510 3.342 -0.651) 3.443 4.910 ( 0.042 -1.109 -0.070) 1.112 4.910 ( 0.042 1.109 -0.070) 1.112 5.150 ( -0.731 -4.371 0.564) 4.467 5.150 ( -0.731 4.371 0.564) 4.467 5.493 ( 7.637 -1.021 0.526) 7.723 5.493 ( 7.637 1.021 0.526) 7.723 5.562 ( -6.135 -2.050 -0.247) 6.473 5.562 ( -6.135 2.050 -0.247) 6.473 5.650 ( -1.634 -0.443 0.079) 1.695 5.650 ( -1.634 0.443 0.079) 1.695 5.737 ( 1.171 -0.520 -0.241) 1.304 5.737 ( 1.171 0.520 -0.241) 1.304 6.241 ( 0.587 -0.436 0.039) 0.732 6.241 ( 0.587 0.436 0.039) 0.732 6.371 ( 0.212 -0.334 -0.352) 0.530 6.371 ( 0.212 0.334 -0.352) 0.530 6.374 ( 1.344 -0.658 -0.503) 1.579 6.374 ( 1.344 0.658 -0.503) 1.579 6.543 ( -1.261 -1.438 -0.481) 1.972 6.543 ( -1.261 1.438 -0.481) 1.972 6.910 ( -0.685 -0.453 -0.168) 0.839 6.910 ( -0.685 0.453 -0.168) 0.839 7.121 ( 0.484 -0.678 -1.890) 2.065 7.121 ( 0.484 0.678 -1.890) 2.065 7.820 ( 0.433 -0.244 0.117) 0.510 7.820 ( 0.433 0.244 0.117) 0.510 7.936 ( -0.529 -1.138 -0.553) 1.371 7.936 ( -0.529 1.138 -0.553) 1.371 8.207 ( -0.325 -1.186 0.392) 1.291 8.207 ( -0.325 1.186 0.392) 1.291 8.445 ( -2.045 -1.758 5.437) 6.069 8.445 ( -2.045 1.758 5.437) 6.069 8.587 ( 0.842 -1.570 -2.383) 2.976 8.587 ( 0.842 1.570 -2.383) 2.976 8.851 ( 1.518 -1.295 -2.228) 2.991 8.851 ( 1.518 1.295 -2.228) 2.991 9.581 ( -0.882 -3.464 2.190) 4.192 9.581 ( -0.882 3.464 2.190) 4.192 9.917 ( 0.903 -5.387 -6.904) 8.803 9.917 ( 0.903 5.387 -6.904) 8.803 10.910 ( -0.286 -3.009 1.095) 3.215 10.910 ( -0.286 3.009 1.095) 3.215 11.099 ( -0.306 -2.583 -1.679) 3.096 11.099 ( -0.306 2.583 -1.679) 3.096 ======================= Grid point 155 (89/96) ======================= q-point: ( 0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 6.128 -7.017 13.121) 16.092 1.448 ( 6.128 7.017 13.121) 16.092 1.675 ( 9.779 -2.751 2.034) 10.360 1.675 ( 9.779 2.751 2.034) 10.360 1.847 ( 11.128 -1.730 -3.088) 11.677 1.847 ( 11.128 1.730 -3.088) 11.677 1.929 ( 11.109 -2.131 -8.336) 14.051 1.929 ( 11.109 2.131 -8.336) 14.051 2.504 ( -3.300 -2.949 5.729) 7.240 2.504 ( -3.300 2.949 5.729) 7.240 2.656 ( -0.451 -4.350 -0.754) 4.438 2.656 ( -0.451 4.350 -0.754) 4.438 3.207 ( -0.082 -4.169 -3.448) 5.411 3.207 ( -0.082 4.169 -3.448) 5.411 3.373 ( -4.947 -3.105 0.532) 5.865 3.373 ( -4.947 3.105 0.532) 5.865 3.722 ( 2.999 -6.087 1.323) 6.913 3.722 ( 2.999 6.087 1.323) 6.913 3.983 ( 4.030 -8.011 1.908) 9.168 3.983 ( 4.030 8.011 1.908) 9.168 4.301 ( -1.341 -5.792 1.906) 6.244 4.301 ( -1.341 5.792 1.906) 6.244 4.405 ( -1.907 -1.761 -0.004) 2.596 4.405 ( -1.907 1.761 -0.004) 2.596 4.706 ( -0.926 -8.006 1.536) 8.205 4.706 ( -0.926 8.006 1.536) 8.205 4.757 ( -1.876 -2.660 0.096) 3.256 4.757 ( -1.876 2.660 0.096) 3.256 4.911 ( 0.638 -2.130 0.834) 2.374 4.911 ( 0.638 2.130 0.834) 2.374 5.134 ( -0.835 -1.761 1.584) 2.512 5.134 ( -0.835 1.761 1.584) 2.512 5.261 ( -9.250 -0.847 -3.390) 9.888 5.261 ( -9.250 0.847 -3.390) 9.888 5.530 ( -3.201 -0.393 -0.057) 3.226 5.530 ( -3.201 0.393 -0.057) 3.226 5.739 ( 5.855 -2.772 1.600) 6.673 5.739 ( 5.855 2.772 1.600) 6.673 5.991 ( 12.892 -3.734 -0.229) 13.424 5.991 ( 12.892 3.734 -0.229) 13.424 6.224 ( -0.617 -1.039 -0.701) 1.397 6.224 ( -0.617 1.039 -0.701) 1.397 6.382 ( 2.654 -1.513 -2.694) 4.073 6.382 ( 2.654 1.513 -2.694) 4.073 6.442 ( 5.547 -0.279 -0.268) 5.561 6.442 ( 5.547 0.279 -0.268) 5.561 6.652 ( 7.929 -2.073 0.574) 8.216 6.652 ( 7.929 2.073 0.574) 8.216 6.936 ( 3.959 -1.129 1.246) 4.301 6.936 ( 3.959 1.129 1.246) 4.301 7.202 ( 6.174 -0.886 -2.581) 6.751 7.202 ( 6.174 0.886 -2.581) 6.751 7.929 ( 7.505 -0.469 0.577) 7.542 7.929 ( 7.505 0.469 0.577) 7.542 8.001 ( 6.339 -1.196 -0.566) 6.475 8.001 ( 6.339 1.196 -0.566) 6.475 8.262 ( 4.783 -0.623 2.089) 5.257 8.262 ( 4.783 0.623 2.089) 5.257 8.491 ( 6.844 -1.080 5.319) 8.735 8.491 ( 6.844 1.080 5.319) 8.735 8.670 ( 7.450 -0.997 -2.390) 7.887 8.670 ( 7.450 0.997 -2.390) 7.887 8.977 ( 11.334 -4.837 -3.909) 12.928 8.977 ( 11.334 4.837 -3.909) 12.928 9.602 ( 3.060 -4.387 3.505) 6.395 9.602 ( 3.060 4.387 3.505) 6.395 9.967 ( 4.249 -5.010 -7.379) 9.880 9.967 ( 4.249 5.010 -7.379) 9.880 10.920 ( 1.115 -3.094 1.401) 3.575 10.920 ( 1.115 3.094 1.401) 3.575 11.014 ( -6.133 -1.421 -0.102) 6.296 11.014 ( -6.133 1.421 -0.102) 6.296 ======================= Grid point 157 (90/96) ======================= q-point: ( 0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 8.947 -4.248 8.768) 13.228 1.618 ( 8.947 4.248 8.768) 13.228 1.849 ( 8.092 -1.373 -2.757) 8.658 1.849 ( 8.092 1.373 -2.757) 8.658 2.110 ( 10.816 -7.757 6.603) 14.859 2.110 ( 10.816 7.757 6.603) 14.859 2.205 ( 12.354 -5.066 -8.341) 15.743 2.205 ( 12.354 5.066 -8.341) 15.743 2.544 ( 7.802 -0.935 3.345) 8.541 2.544 ( 7.802 0.935 3.345) 8.541 2.681 ( 3.474 -2.755 -0.616) 4.477 2.681 ( 3.474 2.755 -0.616) 4.477 3.190 ( -0.382 -3.775 -3.411) 5.102 3.190 ( -0.382 3.775 -3.411) 5.102 3.284 ( -3.255 -3.373 -1.359) 4.881 3.284 ( -3.255 3.373 -1.359) 4.881 3.735 ( -2.118 -5.353 1.411) 5.928 3.735 ( -2.118 5.353 1.411) 5.928 4.027 ( -1.929 -6.712 1.681) 7.184 4.027 ( -1.929 6.712 1.681) 7.184 4.165 ( -6.977 -1.534 3.358) 7.894 4.165 ( -6.977 1.534 3.358) 7.894 4.429 ( 2.307 -3.961 0.838) 4.660 4.429 ( 2.307 3.961 0.838) 4.660 4.692 ( -0.426 -8.125 -1.632) 8.298 4.692 ( -0.426 8.125 -1.632) 8.298 4.802 ( 5.150 -6.492 3.436) 8.971 4.802 ( 5.150 6.492 3.436) 8.971 4.942 ( 2.328 -4.075 3.126) 5.639 4.942 ( 2.328 4.075 3.126) 5.639 5.110 ( -0.500 -3.534 -0.824) 3.663 5.110 ( -0.500 3.534 -0.824) 3.663 5.193 ( 1.592 -3.034 -2.644) 4.328 5.193 ( 1.592 3.034 -2.644) 4.328 5.528 ( 3.063 -2.044 0.202) 3.688 5.528 ( 3.063 2.044 0.202) 3.688 5.866 ( 6.095 -1.777 0.810) 6.400 5.866 ( 6.095 1.777 0.810) 6.400 6.092 ( 0.340 -0.848 -2.338) 2.510 6.092 ( 0.340 0.848 -2.338) 2.510 6.314 ( 6.633 -2.761 3.705) 8.084 6.314 ( 6.633 2.761 3.705) 8.084 6.479 ( 6.197 -3.264 -5.001) 8.606 6.479 ( 6.197 3.264 -5.001) 8.606 6.568 ( 6.131 -0.245 0.554) 6.161 6.568 ( 6.131 0.245 0.554) 6.161 6.810 ( 6.869 -2.333 -0.554) 7.275 6.810 ( 6.869 2.333 -0.554) 7.275 7.075 ( 8.512 -0.752 2.105) 8.800 7.075 ( 8.512 0.752 2.105) 8.800 7.335 ( 6.247 -0.945 -2.884) 6.945 7.335 ( 6.247 0.945 -2.884) 6.945 8.048 ( 4.733 -1.782 3.833) 6.346 8.048 ( 4.733 1.782 3.833) 6.346 8.153 ( 6.249 -0.616 -2.076) 6.614 8.153 ( 6.249 0.616 -2.076) 6.614 8.379 ( 5.956 -1.887 2.547) 6.747 8.379 ( 5.956 1.887 2.547) 6.747 8.605 ( 3.209 -4.964 1.919) 6.215 8.605 ( 3.209 4.964 1.919) 6.215 9.027 ( 25.023 -2.987 -1.469) 25.243 9.027 ( 25.023 2.987 -1.469) 25.243 9.284 ( 16.729 -4.637 -3.179) 17.649 9.284 ( 16.729 4.637 -3.179) 17.649 9.723 ( 8.636 -4.945 5.119) 11.191 9.723 ( 8.636 4.945 5.119) 11.191 10.095 ( 8.575 -4.067 -6.923) 11.748 10.095 ( 8.575 4.067 -6.923) 11.748 10.907 ( -3.349 -1.228 0.402) 3.589 10.907 ( -3.349 1.228 0.402) 3.589 10.954 ( 1.791 -1.270 0.890) 2.370 10.954 ( 1.791 1.270 0.890) 2.370 ======================= Grid point 159 (91/96) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 5.800 -1.416 2.460) 6.458 1.784 ( 5.800 1.416 2.460) 6.458 2.023 ( 8.374 -2.525 1.966) 8.965 2.023 ( 8.374 2.525 1.966) 8.965 2.261 ( 4.227 -5.826 3.812) 8.145 2.261 ( 4.227 5.826 3.812) 8.145 2.379 ( 4.661 -2.975 -4.608) 7.197 2.379 ( 4.661 2.975 -4.608) 7.197 2.676 ( 3.869 -3.318 2.779) 5.805 2.676 ( 3.869 3.318 2.779) 5.805 2.834 ( 7.973 -0.312 -3.441) 8.689 2.834 ( 7.973 0.312 -3.441) 8.689 3.194 ( -0.265 -6.429 0.537) 6.457 3.194 ( -0.265 6.429 0.537) 6.457 3.273 ( 3.312 -5.551 -3.189) 7.208 3.273 ( 3.312 5.551 -3.189) 7.208 3.676 ( -2.191 -3.736 -0.135) 4.333 3.676 ( -2.191 3.736 -0.135) 4.333 3.872 ( -8.757 -4.586 2.571) 10.214 3.872 ( -8.757 4.586 2.571) 10.214 4.158 ( 3.321 -4.669 4.366) 7.204 4.158 ( 3.321 4.669 4.366) 7.204 4.445 ( -1.221 -6.246 0.878) 6.425 4.445 ( -1.221 6.246 0.878) 6.425 4.691 ( 0.578 -4.941 0.174) 4.978 4.691 ( 0.578 4.941 0.174) 4.978 4.865 ( -0.462 -5.098 1.346) 5.293 4.865 ( -0.462 5.098 1.346) 5.293 5.032 ( 6.198 -2.583 3.833) 7.731 5.032 ( 6.198 2.583 3.833) 7.731 5.153 ( 4.048 -2.109 -0.982) 4.669 5.153 ( 4.048 2.109 -0.982) 4.669 5.260 ( 3.694 -2.451 -2.564) 5.121 5.260 ( 3.694 2.451 -2.564) 5.121 5.619 ( 4.667 -2.119 -0.133) 5.128 5.619 ( 4.667 2.119 -0.133) 5.128 5.980 ( 4.717 -2.931 0.290) 5.561 5.980 ( 4.717 2.931 0.290) 5.561 6.103 ( 0.983 -1.937 -2.292) 3.158 6.103 ( 0.983 1.937 -2.292) 3.158 6.435 ( 4.694 -2.237 3.375) 6.199 6.435 ( 4.694 2.238 3.375) 6.199 6.607 ( 5.859 -3.305 -3.671) 7.663 6.607 ( 5.859 3.305 -3.671) 7.663 6.688 ( 5.065 -0.809 1.615) 5.377 6.688 ( 5.065 0.810 1.615) 5.377 6.918 ( 3.362 -2.905 -1.349) 4.643 6.918 ( 3.362 2.905 -1.349) 4.643 7.258 ( 8.451 -0.543 1.725) 8.642 7.258 ( 8.451 0.543 1.725) 8.642 7.445 ( 4.250 -1.000 -2.638) 5.101 7.445 ( 4.250 1.000 -2.638) 5.101 8.142 ( 3.941 -0.954 4.721) 6.223 8.142 ( 3.941 0.954 4.721) 6.223 8.239 ( 2.311 -0.689 -1.316) 2.747 8.239 ( 2.311 0.689 -1.316) 2.747 8.494 ( 4.827 -1.073 3.127) 5.851 8.494 ( 4.827 1.073 3.127) 5.851 8.673 ( 3.349 -5.922 -2.211) 7.154 8.673 ( 3.349 5.922 -2.211) 7.154 9.458 ( 13.517 -3.737 2.020) 14.168 9.458 ( 13.517 3.737 2.020) 14.168 9.627 ( 14.275 -3.314 -3.838) 15.149 9.627 ( 14.275 3.314 -3.838) 15.149 9.973 ( 15.274 -4.106 4.293) 16.389 9.973 ( 15.274 4.106 4.293) 16.389 10.306 ( 11.077 -2.224 -5.062) 12.380 10.306 ( 11.077 2.224 -5.062) 12.380 10.880 ( 0.565 -0.489 0.094) 0.753 10.880 ( 0.565 0.489 0.094) 0.753 10.985 ( 0.865 -1.159 0.019) 1.446 10.985 ( 0.865 1.159 0.019) 1.446 ======================= Grid point 161 (92/96) ======================= q-point: ( 0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.365 -0.427 1.372) 1.483 1.846 ( 0.365 0.427 1.372) 1.483 2.173 ( 5.312 -2.306 4.019) 7.049 2.173 ( 5.312 2.306 4.019) 7.049 2.308 ( 0.525 -2.801 2.148) 3.569 2.308 ( 0.525 2.801 2.148) 3.569 2.416 ( -0.007 -2.676 -4.715) 5.421 2.416 ( -0.007 2.676 -4.715) 5.421 2.766 ( 5.004 -3.436 0.904) 6.138 2.766 ( 5.004 3.436 0.904) 6.138 2.893 ( -1.696 -0.967 -3.260) 3.800 2.893 ( -1.696 0.967 -3.260) 3.800 3.186 ( -0.146 -2.886 2.987) 4.156 3.186 ( -0.146 2.886 2.987) 4.156 3.337 ( 0.884 -2.096 -3.297) 4.006 3.337 ( 0.884 2.096 -3.297) 4.006 3.676 ( 1.470 -1.488 -0.005) 2.092 3.676 ( 1.470 1.488 -0.005) 2.092 3.754 ( -2.122 -2.621 1.466) 3.677 3.754 ( -2.122 2.621 1.466) 3.677 4.243 ( 3.814 -5.358 5.275) 8.431 4.243 ( 3.814 5.358 5.275) 8.431 4.394 ( -2.960 -6.031 -1.056) 6.801 4.394 ( -2.960 6.031 -1.056) 6.801 4.718 ( 1.815 -2.119 3.238) 4.274 4.718 ( 1.815 2.119 3.238) 4.274 4.827 ( -2.373 -4.270 -0.829) 4.955 4.827 ( -2.373 4.270 -0.829) 4.955 5.138 ( 2.828 -0.643 4.287) 5.176 5.138 ( 2.828 0.643 4.287) 5.176 5.232 ( 2.571 -1.481 -2.038) 3.600 5.232 ( 2.571 1.481 -2.038) 3.600 5.310 ( 1.257 -1.380 -2.832) 3.392 5.310 ( 1.257 1.380 -2.832) 3.392 5.691 ( 1.851 -1.574 -0.025) 2.430 5.691 ( 1.851 1.574 -0.025) 2.430 6.056 ( 2.298 -3.342 0.509) 4.088 6.056 ( 2.298 3.342 0.509) 4.088 6.117 ( 0.049 -2.691 -1.512) 3.087 6.117 ( 0.049 2.691 -1.512) 3.087 6.506 ( 1.960 -0.915 1.783) 2.803 6.506 ( 1.960 0.916 1.783) 2.803 6.709 ( 3.453 -2.929 -2.265) 5.063 6.709 ( 3.453 2.929 -2.265) 5.063 6.755 ( 1.088 -1.793 1.323) 2.480 6.755 ( 1.088 1.793 1.323) 2.480 6.954 ( 0.603 -2.492 -0.924) 2.725 6.954 ( 0.603 2.492 -0.924) 2.725 7.400 ( 4.454 -0.889 0.732) 4.600 7.400 ( 4.454 0.889 0.732) 4.600 7.503 ( 1.312 -0.825 -2.143) 2.645 7.503 ( 1.312 0.825 -2.143) 2.645 8.202 ( 1.329 -0.505 4.821) 5.026 8.202 ( 1.329 0.505 4.821) 5.026 8.262 ( 0.290 -1.640 -1.039) 1.963 8.262 ( 0.290 1.640 -1.039) 1.964 8.578 ( 2.869 -1.179 4.231) 5.246 8.578 ( 2.869 1.179 4.231) 5.246 8.722 ( 1.034 -6.969 -4.881) 8.571 8.722 ( 1.034 6.969 -4.881) 8.571 9.633 ( 4.066 -1.453 1.192) 4.479 9.633 ( 4.066 1.453 1.192) 4.479 9.802 ( 3.640 -2.957 0.466) 4.713 9.802 ( 3.640 2.957 0.466) 4.713 10.253 ( 8.151 -1.751 -0.114) 8.337 10.253 ( 8.151 1.751 -0.114) 8.337 10.488 ( 5.044 -1.672 -2.205) 5.753 10.488 ( 5.044 1.672 -2.205) 5.753 10.914 ( 1.947 -1.607 0.902) 2.681 10.914 ( 1.947 1.607 0.902) 2.681 10.984 ( -0.572 -0.417 -1.823) 1.956 10.984 ( -0.572 0.417 -1.823) 1.956 ======================= Grid point 163 (93/96) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -3.312 -2.881 3.988) 5.931 1.814 ( -3.312 2.881 3.988) 5.931 2.232 ( 0.249 -4.022 3.647) 5.435 2.232 ( 0.249 4.022 3.647) 5.435 2.263 ( -5.183 -1.569 0.257) 5.421 2.263 ( -5.183 1.569 0.257) 5.421 2.428 ( 1.538 -2.378 -4.373) 5.210 2.428 ( 1.538 2.378 -4.373) 5.210 2.812 ( -3.725 -5.115 -3.742) 7.351 2.812 ( -3.725 5.115 -3.742) 7.351 2.851 ( 0.752 -1.957 0.969) 2.310 2.851 ( 0.752 1.957 0.969) 2.310 3.195 ( 0.463 -1.977 3.138) 3.738 3.195 ( 0.463 1.977 3.138) 3.738 3.306 ( -3.085 -2.691 -1.265) 4.284 3.306 ( -3.085 2.691 -1.265) 4.284 3.669 ( -1.507 -4.470 0.480) 4.741 3.669 ( -1.507 4.470 0.480) 4.741 3.791 ( 4.523 -3.924 -2.003) 6.314 3.791 ( 4.523 3.924 -2.003) 6.314 4.267 ( -2.547 -6.219 4.058) 7.851 4.267 ( -2.547 6.219 4.058) 7.851 4.374 ( 1.932 -3.874 -0.394) 4.347 4.374 ( 1.932 3.874 -0.394) 4.347 4.746 ( -0.846 -2.702 3.057) 4.167 4.746 ( -0.846 2.702 3.057) 4.167 4.796 ( 0.999 -1.531 -0.372) 1.865 4.796 ( 0.999 1.531 -0.372) 1.865 5.148 ( -1.767 -1.125 4.834) 5.269 5.148 ( -1.767 1.125 4.834) 5.269 5.215 ( -3.861 -0.432 -2.058) 4.396 5.215 ( -3.861 0.432 -2.058) 4.396 5.328 ( 0.076 -1.898 -4.283) 4.685 5.328 ( 0.076 1.898 -4.283) 4.685 5.690 ( -1.943 -1.510 0.230) 2.471 5.690 ( -1.943 1.510 0.230) 2.471 6.055 ( -2.537 -1.966 0.554) 3.257 6.055 ( -2.537 1.966 0.554) 3.257 6.106 ( -0.878 -2.023 -0.438) 2.249 6.106 ( -0.878 2.023 -0.438) 2.249 6.518 ( -0.765 -0.607 0.725) 1.216 6.518 ( -0.765 0.607 0.725) 1.216 6.678 ( -5.037 -1.895 0.846) 5.448 6.678 ( -5.037 1.895 0.846) 5.448 6.784 ( 0.315 -2.447 -2.018) 3.188 6.784 ( 0.315 2.448 -2.018) 3.188 6.949 ( -1.241 -0.962 -0.153) 1.578 6.949 ( -1.241 0.962 -0.153) 1.578 7.422 ( -2.469 -1.406 -1.241) 3.100 7.422 ( -2.469 1.406 -1.241) 3.100 7.493 ( -2.153 -1.303 -1.337) 2.849 7.493 ( -2.153 1.303 -1.337) 2.849 8.206 ( -0.870 -1.378 5.095) 5.349 8.206 ( -0.870 1.378 5.095) 5.349 8.251 ( -1.452 -1.611 -0.894) 2.346 8.251 ( -1.452 1.611 -0.894) 2.346 8.612 ( 0.274 -2.283 3.525) 4.209 8.612 ( 0.274 2.283 3.525) 4.209 8.701 ( -2.806 -6.387 -5.284) 8.751 8.701 ( -2.806 6.387 -5.284) 8.751 9.635 ( -3.826 -0.444 0.785) 3.931 9.635 ( -3.826 0.444 0.785) 3.931 9.798 ( -4.390 -2.796 0.882) 5.279 9.798 ( -4.390 2.796 0.882) 5.279 10.263 ( -6.733 -1.044 -0.613) 6.841 10.263 ( -6.733 1.044 -0.613) 6.841 10.473 ( -6.493 -1.593 -1.087) 6.773 10.473 ( -6.493 1.593 -1.087) 6.773 10.907 ( -2.200 -0.134 0.804) 2.346 10.907 ( -2.200 0.134 0.804) 2.346 10.998 ( 1.322 -3.067 -2.330) 4.073 10.998 ( 1.322 3.067 -2.330) 4.073 ======================= Grid point 165 (94/96) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -6.098 -5.236 6.409) 10.280 1.718 ( -6.098 5.236 6.409) 10.280 2.117 ( -8.332 -2.281 -1.041) 8.701 2.117 ( -8.332 2.281 -1.041) 8.701 2.185 ( -5.124 -5.423 3.413) 8.205 2.185 ( -5.124 5.423 3.413) 8.205 2.434 ( -1.877 -4.161 -6.138) 7.649 2.434 ( -1.877 4.161 -6.138) 7.649 2.733 ( -5.046 -3.239 -1.458) 6.171 2.733 ( -5.046 3.239 -1.458) 6.171 2.782 ( -6.412 -2.089 0.086) 6.744 2.782 ( -6.412 2.089 0.086) 6.744 3.176 ( -3.000 -3.658 2.551) 5.375 3.176 ( -3.000 3.658 2.551) 5.375 3.236 ( -1.906 -6.824 0.438) 7.099 3.236 ( -1.906 6.824 0.438) 7.099 3.670 ( 2.299 -5.072 0.235) 5.574 3.670 ( 2.299 5.072 0.235) 5.574 3.922 ( 7.739 -4.459 -2.404) 9.250 3.922 ( 7.739 4.459 -2.404) 9.250 4.203 ( -2.488 -5.353 0.381) 5.915 4.203 ( -2.488 5.353 0.381) 5.915 4.418 ( 1.359 -3.264 2.918) 4.584 4.418 ( 1.359 3.264 2.918) 4.584 4.699 ( -2.785 -0.696 0.035) 2.870 4.699 ( -2.785 0.696 0.035) 2.870 4.848 ( 2.580 -2.865 2.449) 4.568 4.848 ( 2.580 2.865 2.449) 4.568 5.080 ( -4.958 -1.945 1.353) 5.495 5.080 ( -4.958 1.945 1.353) 5.495 5.111 ( -4.781 -1.134 0.749) 4.970 5.111 ( -4.781 1.134 0.749) 4.970 5.284 ( -3.933 -3.867 -4.746) 7.277 5.284 ( -3.933 3.867 -4.746) 7.277 5.622 ( -4.103 -1.135 -0.086) 4.258 5.622 ( -4.103 1.135 -0.086) 4.258 5.976 ( -4.529 -2.077 0.419) 5.000 5.976 ( -4.529 2.077 0.419) 5.000 6.076 ( -1.740 -2.267 0.553) 2.911 6.076 ( -1.740 2.267 0.553) 2.911 6.477 ( -3.067 -1.371 0.111) 3.361 6.477 ( -3.067 1.371 0.111) 3.361 6.550 ( -7.253 -1.204 1.368) 7.479 6.550 ( -7.253 1.204 1.368) 7.479 6.723 ( -5.910 -1.841 -2.573) 6.703 6.723 ( -5.910 1.841 -2.573) 6.703 6.903 ( -3.175 -1.316 0.462) 3.468 6.903 ( -3.175 1.316 0.462) 3.468 7.306 ( -7.988 -2.000 -2.801) 8.697 7.306 ( -7.987 2.000 -2.801) 8.697 7.421 ( -4.484 -1.914 -0.453) 4.896 7.421 ( -4.484 1.915 -0.453) 4.896 8.169 ( -3.277 -1.433 3.821) 5.234 8.169 ( -3.277 1.433 3.821) 5.234 8.203 ( -2.880 -1.325 0.000) 3.170 8.203 ( -2.879 1.326 0.001) 3.170 8.578 ( -5.035 -4.366 -4.193) 7.874 8.578 ( -5.035 4.366 -4.193) 7.874 8.628 ( -2.054 -1.600 1.941) 3.248 8.628 ( -2.054 1.600 1.941) 3.248 9.460 ( -14.706 -1.269 1.564) 14.843 9.460 ( -14.706 1.269 1.564) 14.843 9.595 ( -14.654 -4.955 -1.016) 15.502 9.595 ( -14.654 4.955 -1.016) 15.502 10.034 ( -13.156 -0.766 0.021) 13.178 10.034 ( -13.156 0.766 0.021) 13.178 10.260 ( -12.069 -1.986 -1.821) 12.366 10.260 ( -12.069 1.986 -1.821) 12.366 10.871 ( -0.704 -0.216 0.620) 0.963 10.871 ( -0.704 0.216 0.620) 0.963 11.002 ( -0.833 -3.173 -1.285) 3.523 11.002 ( -0.833 3.173 -1.285) 3.523 ======================= Grid point 167 (95/96) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -7.359 -7.212 8.400) 13.294 1.577 ( -7.359 7.212 8.400) 13.294 1.919 ( -11.105 -1.332 -2.045) 11.370 1.919 ( -11.105 1.332 -2.045) 11.370 2.022 ( -10.622 -6.904 4.290) 13.375 2.022 ( -10.622 6.904 4.290) 13.375 2.298 ( -11.138 -5.305 -9.646) 15.660 2.298 ( -11.138 5.305 -9.646) 15.660 2.530 ( -9.331 -2.598 3.806) 10.407 2.530 ( -9.331 2.598 3.806) 10.407 2.716 ( -1.253 -0.559 -3.445) 3.708 2.716 ( -1.253 0.559 -3.445) 3.708 3.133 ( 0.092 -7.065 2.253) 7.416 3.133 ( 0.092 7.065 2.253) 7.416 3.253 ( 2.970 -8.247 1.812) 8.950 3.253 ( 2.970 8.247 1.812) 8.950 3.740 ( 2.817 -6.970 0.713) 7.551 3.740 ( 2.817 6.970 0.713) 7.551 4.041 ( 1.725 -6.105 -0.097) 6.345 4.041 ( 1.725 6.105 -0.097) 6.345 4.216 ( 4.544 -1.597 -1.088) 4.938 4.216 ( 4.544 1.597 -1.088) 4.938 4.414 ( -1.593 -1.135 2.536) 3.203 4.414 ( -1.593 1.135 2.536) 3.203 4.658 ( -0.447 -3.797 1.467) 4.095 4.658 ( -0.447 3.797 1.467) 4.095 4.849 ( -3.177 -6.714 -1.082) 7.506 4.849 ( -3.177 6.714 -1.082) 7.506 4.973 ( -4.737 -3.684 0.452) 6.018 4.973 ( -4.737 3.684 0.452) 6.018 5.068 ( 1.784 -1.796 2.202) 3.355 5.068 ( 1.784 1.796 2.202) 3.355 5.205 ( -2.201 -6.057 -3.449) 7.310 5.205 ( -2.201 6.057 -3.449) 7.310 5.544 ( -2.675 -0.578 -1.174) 2.978 5.544 ( -2.675 0.578 -1.174) 2.978 5.876 ( -5.057 -2.070 -0.340) 5.475 5.876 ( -5.057 2.070 -0.340) 5.475 6.055 ( -0.263 -1.200 1.461) 1.909 6.055 ( -0.263 1.200 1.461) 1.909 6.357 ( -10.559 -2.442 2.615) 11.148 6.357 ( -10.559 2.442 2.615) 11.148 6.413 ( -3.460 -1.886 -1.580) 4.245 6.413 ( -3.460 1.886 -1.580) 4.245 6.575 ( -7.397 -0.688 -0.476) 7.444 6.575 ( -7.397 0.688 -0.476) 7.444 6.812 ( -5.692 -1.844 -0.401) 5.997 6.812 ( -5.692 1.844 -0.401) 5.997 7.121 ( -9.007 -1.129 -2.196) 9.340 7.121 ( -9.007 1.129 -2.196) 9.340 7.311 ( -5.998 -1.603 -0.708) 6.249 7.311 ( -5.998 1.603 -0.708) 6.249 8.071 ( -6.156 -1.187 2.129) 6.621 8.071 ( -6.156 1.187 2.129) 6.621 8.127 ( -4.674 -1.516 -0.327) 4.925 8.127 ( -4.674 1.516 -0.327) 4.925 8.435 ( -7.366 -4.013 -3.109) 8.946 8.435 ( -7.366 4.013 -3.109) 8.946 8.616 ( 0.181 -3.165 1.844) 3.668 8.616 ( 0.181 3.165 1.844) 3.668 8.993 ( -26.357 -2.405 0.779) 26.478 8.993 ( -26.357 2.405 0.779) 26.478 9.264 ( -17.166 -3.377 -1.119) 17.531 9.264 ( -17.166 3.377 -1.119) 17.531 9.783 ( -10.038 -2.130 0.800) 10.292 9.783 ( -10.038 2.130 0.800) 10.292 10.045 ( -7.666 -3.911 -3.477) 9.282 10.045 ( -7.666 3.911 -3.477) 9.282 10.898 ( 3.564 -1.029 1.222) 3.906 10.898 ( 3.564 1.029 1.222) 3.906 10.971 ( -1.800 -2.037 -0.660) 2.798 10.971 ( -1.800 2.037 -0.660) 2.798 ======================= Grid point 169 (96/96) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -5.248 -8.041 11.438) 14.934 1.444 ( -5.248 8.041 11.438) 14.934 1.641 ( -13.723 -7.493 7.113) 17.177 1.641 ( -13.723 7.493 7.113) 17.177 1.812 ( -8.043 -6.197 -5.580) 11.586 1.812 ( -8.043 6.197 -5.580) 11.586 2.025 ( -12.216 -3.698 -11.501) 17.181 2.025 ( -12.216 3.698 -11.501) 17.181 2.469 ( 2.327 -7.115 7.093) 10.313 2.469 ( 2.327 7.115 7.093) 10.313 2.713 ( 0.795 -1.133 -4.533) 4.740 2.713 ( 0.795 1.133 -4.533) 4.740 3.158 ( 1.238 -4.690 1.399) 5.048 3.158 ( 1.238 4.690 1.399) 5.048 3.350 ( 5.743 -6.470 2.699) 9.062 3.350 ( 5.743 6.470 2.699) 9.062 3.735 ( -3.144 -7.683 0.187) 8.304 3.735 ( -3.144 7.683 0.187) 8.304 4.001 ( -4.386 -7.185 -0.106) 8.418 4.001 ( -4.386 7.185 -0.106) 8.418 4.283 ( -0.265 -5.621 3.105) 6.427 4.283 ( -0.265 5.621 3.105) 6.427 4.433 ( 3.682 -4.245 -1.406) 5.793 4.433 ( 3.682 4.245 -1.406) 5.793 4.680 ( 1.828 -2.855 2.352) 4.126 4.680 ( 1.828 2.855 2.352) 4.126 4.793 ( -0.469 -6.685 -2.398) 7.118 4.793 ( -0.469 6.685 -2.398) 7.118 4.906 ( -1.028 -3.446 1.427) 3.869 4.906 ( -1.028 3.446 1.427) 3.869 5.147 ( 2.303 -6.570 1.031) 7.037 5.147 ( 2.303 6.570 1.031) 7.037 5.229 ( 7.470 -1.241 -1.119) 7.655 5.229 ( 7.470 1.241 -1.119) 7.655 5.538 ( 2.371 -0.370 -0.699) 2.499 5.538 ( 2.371 0.370 -0.699) 2.499 5.771 ( -5.022 -3.318 -1.626) 6.235 5.771 ( -5.022 3.318 -1.626) 6.235 5.968 ( -12.468 -1.812 2.176) 12.785 5.968 ( -12.468 1.812 2.176) 12.785 6.206 ( 0.176 -0.655 1.332) 1.495 6.206 ( 0.177 0.655 1.332) 1.495 6.356 ( -1.582 -1.703 -0.549) 2.389 6.356 ( -1.582 1.703 -0.549) 2.389 6.435 ( -5.636 -0.264 0.445) 5.660 6.435 ( -5.636 0.264 0.445) 5.660 6.671 ( -7.598 -1.410 -1.209) 7.822 6.671 ( -7.598 1.410 -1.209) 7.822 6.964 ( -5.185 -0.202 -1.370) 5.367 6.964 ( -5.185 0.202 -1.370) 5.367 7.185 ( -5.492 -1.126 -1.089) 5.711 7.185 ( -5.492 1.126 -1.089) 5.711 7.917 ( -8.050 -1.433 1.370) 8.290 7.917 ( -8.050 1.433 1.370) 8.290 8.015 ( -5.623 -1.647 -1.603) 6.075 8.015 ( -5.623 1.647 -1.603) 6.075 8.286 ( -6.612 -3.263 -0.424) 7.385 8.286 ( -6.612 3.263 -0.424) 7.385 8.563 ( -11.522 -1.431 1.024) 11.656 8.563 ( -11.522 1.431 1.024) 11.656 8.619 ( -1.598 -1.290 0.280) 2.073 8.619 ( -1.598 1.290 0.280) 2.073 8.938 ( -11.351 -2.991 -0.357) 11.744 8.938 ( -11.351 2.991 -0.357) 11.744 9.634 ( -4.567 -2.544 1.036) 5.329 9.634 ( -4.567 2.544 1.036) 5.329 9.938 ( -2.753 -5.101 -5.186) 7.778 9.938 ( -2.753 5.101 -5.186) 7.778 10.929 ( -1.428 -3.728 0.462) 4.019 10.929 ( -1.428 3.728 0.462) 4.019 11.019 ( 6.450 -3.008 -0.481) 7.133 11.019 ( 6.450 3.008 -0.481) 7.133 =================== 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 3/18144 10.0 200.264 150.483 253.562 0.000 8.299 0.000 3/18144 20.0 68.784 55.593 68.281 0.000 1.093 0.000 3/18144 30.0 33.554 26.410 30.272 0.000 0.655 0.000 3/18144 40.0 19.327 14.801 16.604 0.000 0.490 0.000 3/18144 50.0 12.423 9.332 10.377 0.000 0.374 0.000 3/18144 60.0 8.741 6.463 7.151 0.000 0.293 0.000 3/18144 70.0 6.606 4.812 5.307 0.000 0.236 0.000 3/18144 80.0 5.272 3.784 4.163 0.000 0.196 0.000 3/18144 90.0 4.384 3.101 3.405 0.000 0.166 0.000 3/18144 100.0 3.760 2.622 2.875 0.000 0.144 0.000 3/18144 110.0 3.302 2.272 2.487 0.000 0.127 0.000 3/18144 120.0 2.952 2.005 2.193 0.000 0.113 0.000 3/18144 130.0 2.676 1.796 1.962 0.000 0.102 0.000 3/18144 140.0 2.453 1.629 1.777 0.000 0.093 0.000 3/18144 150.0 2.268 1.491 1.626 0.000 0.085 0.000 3/18144 160.0 2.112 1.376 1.499 0.000 0.079 0.000 3/18144 170.0 1.978 1.279 1.392 0.000 0.073 0.000 3/18144 180.0 1.862 1.195 1.300 0.000 0.068 0.000 3/18144 190.0 1.760 1.122 1.220 0.000 0.064 0.000 3/18144 200.0 1.669 1.058 1.149 0.000 0.060 0.000 3/18144 210.0 1.588 1.001 1.087 0.000 0.057 0.000 3/18144 220.0 1.515 0.950 1.031 0.000 0.054 0.000 3/18144 230.0 1.448 0.905 0.981 0.000 0.051 0.000 3/18144 240.0 1.388 0.863 0.936 0.000 0.049 0.000 3/18144 250.0 1.332 0.826 0.895 0.000 0.047 0.000 3/18144 260.0 1.281 0.792 0.858 0.000 0.045 0.000 3/18144 270.0 1.234 0.760 0.824 0.000 0.043 0.000 3/18144 280.0 1.190 0.732 0.792 0.000 0.041 0.000 3/18144 290.0 1.150 0.705 0.763 0.000 0.040 0.000 3/18144 300.0 1.112 0.680 0.736 0.000 0.038 0.000 3/18144 310.0 1.077 0.657 0.711 0.000 0.037 0.000 3/18144 320.0 1.043 0.636 0.687 0.000 0.036 0.000 3/18144 330.0 1.012 0.616 0.666 0.000 0.035 0.000 3/18144 340.0 0.983 0.597 0.645 0.000 0.034 0.000 3/18144 350.0 0.955 0.579 0.626 0.000 0.033 0.000 3/18144 360.0 0.929 0.562 0.608 0.000 0.032 0.000 3/18144 370.0 0.904 0.547 0.591 0.000 0.031 0.000 3/18144 380.0 0.881 0.532 0.575 0.000 0.030 0.000 3/18144 390.0 0.859 0.518 0.559 0.000 0.029 0.000 3/18144 400.0 0.837 0.505 0.545 0.000 0.028 0.000 3/18144 410.0 0.817 0.492 0.531 0.000 0.028 0.000 3/18144 420.0 0.798 0.480 0.518 0.000 0.027 0.000 3/18144 430.0 0.780 0.469 0.506 0.000 0.026 0.000 3/18144 440.0 0.762 0.458 0.494 0.000 0.026 0.000 3/18144 450.0 0.746 0.447 0.483 0.000 0.025 0.000 3/18144 460.0 0.730 0.438 0.472 0.000 0.024 0.000 3/18144 470.0 0.714 0.428 0.462 0.000 0.024 0.000 3/18144 480.0 0.700 0.419 0.452 0.000 0.023 0.000 3/18144 490.0 0.686 0.410 0.443 0.000 0.023 0.000 3/18144 500.0 0.672 0.402 0.434 0.000 0.022 0.000 3/18144 510.0 0.659 0.394 0.425 0.000 0.022 0.000 3/18144 520.0 0.647 0.386 0.417 0.000 0.021 0.000 3/18144 530.0 0.635 0.379 0.409 0.000 0.021 0.000 3/18144 540.0 0.623 0.372 0.401 0.000 0.021 0.000 3/18144 550.0 0.612 0.365 0.394 0.000 0.020 0.000 3/18144 560.0 0.601 0.358 0.386 0.000 0.020 0.000 3/18144 570.0 0.591 0.352 0.380 0.000 0.020 0.000 3/18144 580.0 0.581 0.346 0.373 0.000 0.019 0.000 3/18144 590.0 0.571 0.340 0.367 0.000 0.019 0.000 3/18144 600.0 0.561 0.334 0.360 0.000 0.019 0.000 3/18144 610.0 0.552 0.329 0.354 0.000 0.018 0.000 3/18144 620.0 0.543 0.323 0.349 0.000 0.018 0.000 3/18144 630.0 0.535 0.318 0.343 0.000 0.018 0.000 3/18144 640.0 0.527 0.313 0.338 0.000 0.017 0.000 3/18144 650.0 0.519 0.308 0.332 0.000 0.017 0.000 3/18144 660.0 0.511 0.304 0.327 0.000 0.017 0.000 3/18144 670.0 0.503 0.299 0.322 0.000 0.017 0.000 3/18144 680.0 0.496 0.295 0.318 0.000 0.016 0.000 3/18144 690.0 0.489 0.290 0.313 0.000 0.016 0.000 3/18144 700.0 0.482 0.286 0.308 0.000 0.016 0.000 3/18144 710.0 0.475 0.282 0.304 0.000 0.016 0.000 3/18144 720.0 0.469 0.278 0.300 0.000 0.015 0.000 3/18144 730.0 0.462 0.274 0.296 0.000 0.015 0.000 3/18144 740.0 0.456 0.271 0.292 0.000 0.015 0.000 3/18144 750.0 0.450 0.267 0.288 0.000 0.015 0.000 3/18144 760.0 0.444 0.264 0.284 0.000 0.015 0.000 3/18144 770.0 0.439 0.260 0.280 0.000 0.014 0.000 3/18144 780.0 0.433 0.257 0.277 0.000 0.014 0.000 3/18144 790.0 0.428 0.254 0.273 0.000 0.014 0.000 3/18144 800.0 0.422 0.250 0.270 0.000 0.014 0.000 3/18144 810.0 0.417 0.247 0.266 0.000 0.014 0.000 3/18144 820.0 0.412 0.244 0.263 0.000 0.014 0.000 3/18144 830.0 0.407 0.241 0.260 0.000 0.013 0.000 3/18144 840.0 0.402 0.238 0.257 0.000 0.013 0.000 3/18144 850.0 0.398 0.236 0.254 0.000 0.013 0.000 3/18144 860.0 0.393 0.233 0.251 0.000 0.013 0.000 3/18144 870.0 0.389 0.230 0.248 0.000 0.013 0.000 3/18144 880.0 0.384 0.228 0.245 0.000 0.013 0.000 3/18144 890.0 0.380 0.225 0.242 0.000 0.012 0.000 3/18144 900.0 0.376 0.222 0.240 0.000 0.012 0.000 3/18144 910.0 0.372 0.220 0.237 0.000 0.012 0.000 3/18144 920.0 0.368 0.218 0.234 0.000 0.012 0.000 3/18144 930.0 0.364 0.215 0.232 0.000 0.012 0.000 3/18144 940.0 0.360 0.213 0.229 0.000 0.012 0.000 3/18144 950.0 0.356 0.211 0.227 0.000 0.012 0.000 3/18144 960.0 0.352 0.209 0.225 0.000 0.012 0.000 3/18144 970.0 0.349 0.206 0.222 0.000 0.011 0.000 3/18144 980.0 0.345 0.204 0.220 0.000 0.011 0.000 3/18144 990.0 0.342 0.202 0.218 0.000 0.011 0.000 3/18144 1000.0 0.338 0.200 0.216 0.000 0.011 0.000 3/18144 Thermal conductivity related properties were written into "kappa-m947.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:28:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|