----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:42:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.095158068820659 0.000000000000000 0.000000000000000 b 0.000000000000000 7.650622000000002 0.000000000000000 c -8.489868067795776 0.000000000000000 9.131372879359878 Atomic positions (fractional): *1 Sc 0.00502201072386 0.50003665051299 0.76308833511132 44.956 *2 Sc 0.50353839410968 0.25882071092597 0.00857187537249 44.956 3 Sc 0.50353839410968 0.24117928907403 0.50857187537249 44.956 4 Sc 0.99497798927614 0.00003665051299 0.73691166488868 44.956 5 Sc 0.00502201072386 0.99996334948701 0.26308833511132 44.956 6 Sc 0.49646160589032 0.75882071092597 0.49142812462751 44.956 7 Sc 0.49646160589032 0.74117928907403 0.99142812462751 44.956 8 Sc 0.99497798927614 0.49996334948701 0.23691166488868 44.956 *9 Cu 0.33231907821310 0.50366765544118 0.10066550545647 63.546 *10 Cu 0.82788035711582 0.24815814488819 0.34994181245646 63.546 11 Cu 0.66768092178690 0.00366765544118 0.39933449454353 63.546 12 Cu 0.17211964288418 0.74815814488819 0.15005818754354 63.546 13 Cu 0.82788035711582 0.25184185511181 0.84994181245646 63.546 14 Cu 0.33231907821310 0.99633234455882 0.60066550545647 63.546 15 Cu 0.17211964288418 0.75184185511181 0.65005818754354 63.546 16 Cu 0.66768092178690 0.49633234455882 0.89933449454353 63.546 *17 Se 0.67454779110145 0.51184636600466 0.21314869150525 78.960 *18 Se 0.16955588251102 0.24121739809340 0.96280859116166 78.960 19 Se 0.83044411748898 0.74121739809340 0.53719140883834 78.960 *20 Se 0.65820883134480 0.99228452840481 0.20137252235969 78.960 21 Se 0.34179116865520 0.49228452840482 0.29862747764031 78.960 *22 Se 0.16510976785310 0.76274592227794 0.95274074130827 78.960 23 Se 0.83489023214689 0.26274592227794 0.54725925869173 78.960 24 Se 0.32545220889855 0.01184636600466 0.28685130849475 78.960 25 Se 0.67454779110145 0.98815363399534 0.71314869150525 78.960 26 Se 0.16510976785310 0.73725407772206 0.45274074130827 78.960 27 Se 0.83489023214689 0.23725407772206 0.04725925869173 78.960 28 Se 0.65820883134480 0.50771547159519 0.70137252235969 78.960 29 Se 0.34179116865520 0.00771547159519 0.79862747764031 78.960 30 Se 0.16955588251102 0.25878260190660 0.46280859116166 78.960 31 Se 0.83044411748898 0.75878260190660 0.03719140883834 78.960 32 Se 0.32545220889855 0.48815363399534 0.78685130849475 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.095158068820659 0.000000000000000 0.000000000000000 b 0.000000000000000 7.650622000000002 0.000000000000000 c -8.489868067795776 0.000000000000000 9.131372879359878 Atomic positions (fractional): *1 Sc 0.00502201072386 0.50003665051299 0.76308833511132 44.956 > 1 *2 Sc 0.50353839410968 0.25882071092597 0.00857187537249 44.956 > 2 3 Sc 0.50353839410968 0.24117928907403 0.50857187537249 44.956 > 3 4 Sc 0.99497798927614 0.00003665051299 0.73691166488868 44.956 > 4 5 Sc 0.00502201072386 0.99996334948701 0.26308833511132 44.956 > 5 6 Sc 0.49646160589032 0.75882071092597 0.49142812462751 44.956 > 6 7 Sc 0.49646160589032 0.74117928907403 0.99142812462751 44.956 > 7 8 Sc 0.99497798927614 0.49996334948701 0.23691166488868 44.956 > 8 *9 Cu 0.33231907821310 0.50366765544118 0.10066550545647 63.546 > 9 *10 Cu 0.82788035711582 0.24815814488819 0.34994181245646 63.546 > 10 11 Cu 0.66768092178690 0.00366765544118 0.39933449454353 63.546 > 11 12 Cu 0.17211964288418 0.74815814488819 0.15005818754354 63.546 > 12 13 Cu 0.82788035711582 0.25184185511181 0.84994181245646 63.546 > 13 14 Cu 0.33231907821310 0.99633234455882 0.60066550545647 63.546 > 14 15 Cu 0.17211964288418 0.75184185511181 0.65005818754354 63.546 > 15 16 Cu 0.66768092178690 0.49633234455882 0.89933449454353 63.546 > 16 *17 Se 0.67454779110145 0.51184636600466 0.21314869150525 78.960 > 17 *18 Se 0.16955588251102 0.24121739809340 0.96280859116166 78.960 > 18 19 Se 0.83044411748898 0.74121739809340 0.53719140883834 78.960 > 19 *20 Se 0.65820883134480 0.99228452840481 0.20137252235969 78.960 > 20 21 Se 0.34179116865520 0.49228452840482 0.29862747764031 78.960 > 21 *22 Se 0.16510976785310 0.76274592227794 0.95274074130827 78.960 > 22 23 Se 0.83489023214689 0.26274592227794 0.54725925869173 78.960 > 23 24 Se 0.32545220889855 0.01184636600466 0.28685130849475 78.960 > 24 25 Se 0.67454779110145 0.98815363399534 0.71314869150525 78.960 > 25 26 Se 0.16510976785310 0.73725407772206 0.45274074130827 78.960 > 26 27 Se 0.83489023214689 0.23725407772206 0.04725925869173 78.960 > 27 28 Se 0.65820883134480 0.50771547159519 0.70137252235969 78.960 > 28 29 Se 0.34179116865520 0.00771547159519 0.79862747764031 78.960 > 29 30 Se 0.16955588251102 0.25878260190660 0.46280859116166 78.960 > 30 31 Se 0.83044411748898 0.75878260190660 0.03719140883834 78.960 > 31 32 Se 0.32545220889855 0.48815363399534 0.78685130849475 78.960 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.190316137641318 0.000000000000000 0.000000000000000 b 0.000000000000000 15.301244000000004 0.000000000000000 c -8.489868067795776 0.000000000000000 9.131372879359878 Atomic positions (fractional): *1 Sc 0.00251100536193 0.25001832525650 0.76308833511132 44.956 > 1 2 Sc 0.50251100536193 0.25001832525650 0.76308833511132 44.956 > 1 3 Sc 0.00251100536193 0.75001832525650 0.76308833511132 44.956 > 1 4 Sc 0.50251100536193 0.75001832525650 0.76308833511132 44.956 > 1 *5 Sc 0.25176919705484 0.12941035546298 0.00857187537249 44.956 > 2 6 Sc 0.75176919705484 0.12941035546298 0.00857187537249 44.956 > 2 7 Sc 0.25176919705484 0.62941035546298 0.00857187537249 44.956 > 2 8 Sc 0.75176919705484 0.62941035546298 0.00857187537249 44.956 > 2 9 Sc 0.25176919705484 0.12058964453702 0.50857187537249 44.956 > 3 10 Sc 0.75176919705484 0.12058964453702 0.50857187537249 44.956 > 3 11 Sc 0.25176919705484 0.62058964453702 0.50857187537249 44.956 > 3 12 Sc 0.75176919705484 0.62058964453702 0.50857187537249 44.956 > 3 13 Sc 0.49748899463807 0.00001832525650 0.73691166488868 44.956 > 4 14 Sc 0.99748899463807 0.00001832525650 0.73691166488868 44.956 > 4 15 Sc 0.49748899463807 0.50001832525650 0.73691166488868 44.956 > 4 16 Sc 0.99748899463807 0.50001832525650 0.73691166488868 44.956 > 4 17 Sc 0.00251100536193 0.49998167474350 0.26308833511132 44.956 > 5 18 Sc 0.50251100536193 0.49998167474350 0.26308833511132 44.956 > 5 19 Sc 0.00251100536193 0.99998167474350 0.26308833511132 44.956 > 5 20 Sc 0.50251100536193 0.99998167474350 0.26308833511132 44.956 > 5 21 Sc 0.24823080294516 0.37941035546298 0.49142812462751 44.956 > 6 22 Sc 0.74823080294516 0.37941035546298 0.49142812462751 44.956 > 6 23 Sc 0.24823080294516 0.87941035546298 0.49142812462751 44.956 > 6 24 Sc 0.74823080294516 0.87941035546298 0.49142812462751 44.956 > 6 25 Sc 0.24823080294516 0.37058964453702 0.99142812462751 44.956 > 7 26 Sc 0.74823080294516 0.37058964453702 0.99142812462751 44.956 > 7 27 Sc 0.24823080294516 0.87058964453702 0.99142812462751 44.956 > 7 28 Sc 0.74823080294516 0.87058964453702 0.99142812462751 44.956 > 7 29 Sc 0.49748899463807 0.24998167474350 0.23691166488868 44.956 > 8 30 Sc 0.99748899463807 0.24998167474350 0.23691166488868 44.956 > 8 31 Sc 0.49748899463807 0.74998167474350 0.23691166488868 44.956 > 8 32 Sc 0.99748899463807 0.74998167474350 0.23691166488868 44.956 > 8 *33 Cu 0.16615953910655 0.25183382772059 0.10066550545647 63.546 > 9 34 Cu 0.66615953910655 0.25183382772059 0.10066550545647 63.546 > 9 35 Cu 0.16615953910655 0.75183382772059 0.10066550545647 63.546 > 9 36 Cu 0.66615953910655 0.75183382772059 0.10066550545647 63.546 > 9 *37 Cu 0.41394017855791 0.12407907244410 0.34994181245646 63.546 > 10 38 Cu 0.91394017855791 0.12407907244410 0.34994181245646 63.546 > 10 39 Cu 0.41394017855791 0.62407907244410 0.34994181245646 63.546 > 10 40 Cu 0.91394017855791 0.62407907244410 0.34994181245646 63.546 > 10 41 Cu 0.33384046089345 0.00183382772059 0.39933449454353 63.546 > 11 42 Cu 0.83384046089345 0.00183382772059 0.39933449454353 63.546 > 11 43 Cu 0.33384046089345 0.50183382772059 0.39933449454353 63.546 > 11 44 Cu 0.83384046089345 0.50183382772059 0.39933449454353 63.546 > 11 45 Cu 0.08605982144209 0.37407907244410 0.15005818754354 63.546 > 12 46 Cu 0.58605982144209 0.37407907244410 0.15005818754354 63.546 > 12 47 Cu 0.08605982144209 0.87407907244410 0.15005818754354 63.546 > 12 48 Cu 0.58605982144209 0.87407907244410 0.15005818754354 63.546 > 12 49 Cu 0.41394017855791 0.12592092755590 0.84994181245646 63.546 > 13 50 Cu 0.91394017855791 0.12592092755590 0.84994181245646 63.546 > 13 51 Cu 0.41394017855791 0.62592092755590 0.84994181245646 63.546 > 13 52 Cu 0.91394017855791 0.62592092755590 0.84994181245646 63.546 > 13 53 Cu 0.16615953910655 0.49816617227941 0.60066550545647 63.546 > 14 54 Cu 0.66615953910655 0.49816617227941 0.60066550545647 63.546 > 14 55 Cu 0.16615953910655 0.99816617227941 0.60066550545647 63.546 > 14 56 Cu 0.66615953910655 0.99816617227941 0.60066550545647 63.546 > 14 57 Cu 0.08605982144209 0.37592092755590 0.65005818754354 63.546 > 15 58 Cu 0.58605982144209 0.37592092755590 0.65005818754354 63.546 > 15 59 Cu 0.08605982144209 0.87592092755590 0.65005818754354 63.546 > 15 60 Cu 0.58605982144209 0.87592092755590 0.65005818754354 63.546 > 15 61 Cu 0.33384046089345 0.24816617227941 0.89933449454353 63.546 > 16 62 Cu 0.83384046089345 0.24816617227941 0.89933449454353 63.546 > 16 63 Cu 0.33384046089345 0.74816617227941 0.89933449454353 63.546 > 16 64 Cu 0.83384046089345 0.74816617227941 0.89933449454353 63.546 > 16 *65 Se 0.33727389555072 0.25592318300233 0.21314869150525 78.960 > 17 66 Se 0.83727389555072 0.25592318300233 0.21314869150525 78.960 > 17 67 Se 0.33727389555072 0.75592318300233 0.21314869150525 78.960 > 17 68 Se 0.83727389555072 0.75592318300233 0.21314869150525 78.960 > 17 *69 Se 0.08477794125551 0.12060869904670 0.96280859116166 78.960 > 18 70 Se 0.58477794125551 0.12060869904670 0.96280859116166 78.960 > 18 71 Se 0.08477794125551 0.62060869904670 0.96280859116166 78.960 > 18 72 Se 0.58477794125551 0.62060869904670 0.96280859116166 78.960 > 18 73 Se 0.41522205874449 0.37060869904670 0.53719140883834 78.960 > 19 74 Se 0.91522205874449 0.37060869904670 0.53719140883834 78.960 > 19 75 Se 0.41522205874449 0.87060869904670 0.53719140883834 78.960 > 19 76 Se 0.91522205874449 0.87060869904670 0.53719140883834 78.960 > 19 *77 Se 0.32910441567240 0.49614226420241 0.20137252235969 78.960 > 20 78 Se 0.82910441567240 0.49614226420241 0.20137252235969 78.960 > 20 79 Se 0.32910441567240 0.99614226420241 0.20137252235969 78.960 > 20 80 Se 0.82910441567240 0.99614226420241 0.20137252235969 78.960 > 20 81 Se 0.17089558432760 0.24614226420241 0.29862747764031 78.960 > 21 82 Se 0.67089558432760 0.24614226420241 0.29862747764031 78.960 > 21 83 Se 0.17089558432760 0.74614226420241 0.29862747764031 78.960 > 21 84 Se 0.67089558432760 0.74614226420241 0.29862747764031 78.960 > 21 *85 Se 0.08255488392655 0.38137296113897 0.95274074130827 78.960 > 22 86 Se 0.58255488392655 0.38137296113897 0.95274074130827 78.960 > 22 87 Se 0.08255488392655 0.88137296113897 0.95274074130827 78.960 > 22 88 Se 0.58255488392655 0.88137296113897 0.95274074130827 78.960 > 22 89 Se 0.41744511607345 0.13137296113897 0.54725925869173 78.960 > 23 90 Se 0.91744511607345 0.13137296113897 0.54725925869173 78.960 > 23 91 Se 0.41744511607345 0.63137296113897 0.54725925869173 78.960 > 23 92 Se 0.91744511607345 0.63137296113897 0.54725925869173 78.960 > 23 93 Se 0.16272610444928 0.00592318300233 0.28685130849475 78.960 > 24 94 Se 0.66272610444928 0.00592318300233 0.28685130849475 78.960 > 24 95 Se 0.16272610444928 0.50592318300233 0.28685130849475 78.960 > 24 96 Se 0.66272610444928 0.50592318300233 0.28685130849475 78.960 > 24 97 Se 0.33727389555072 0.49407681699767 0.71314869150525 78.960 > 25 98 Se 0.83727389555072 0.49407681699767 0.71314869150525 78.960 > 25 99 Se 0.33727389555072 0.99407681699767 0.71314869150525 78.960 > 25 100 Se 0.83727389555072 0.99407681699767 0.71314869150525 78.960 > 25 101 Se 0.08255488392655 0.36862703886103 0.45274074130827 78.960 > 26 102 Se 0.58255488392655 0.36862703886103 0.45274074130827 78.960 > 26 103 Se 0.08255488392655 0.86862703886103 0.45274074130827 78.960 > 26 104 Se 0.58255488392655 0.86862703886103 0.45274074130827 78.960 > 26 105 Se 0.41744511607345 0.11862703886103 0.04725925869173 78.960 > 27 106 Se 0.91744511607345 0.11862703886103 0.04725925869173 78.960 > 27 107 Se 0.41744511607345 0.61862703886103 0.04725925869173 78.960 > 27 108 Se 0.91744511607345 0.61862703886103 0.04725925869173 78.960 > 27 109 Se 0.32910441567240 0.25385773579759 0.70137252235969 78.960 > 28 110 Se 0.82910441567240 0.25385773579759 0.70137252235969 78.960 > 28 111 Se 0.32910441567240 0.75385773579759 0.70137252235969 78.960 > 28 112 Se 0.82910441567240 0.75385773579759 0.70137252235969 78.960 > 28 113 Se 0.17089558432760 0.00385773579759 0.79862747764031 78.960 > 29 114 Se 0.67089558432760 0.00385773579759 0.79862747764031 78.960 > 29 115 Se 0.17089558432760 0.50385773579759 0.79862747764031 78.960 > 29 116 Se 0.67089558432760 0.50385773579759 0.79862747764031 78.960 > 29 117 Se 0.08477794125551 0.12939130095330 0.46280859116166 78.960 > 30 118 Se 0.58477794125551 0.12939130095330 0.46280859116166 78.960 > 30 119 Se 0.08477794125551 0.62939130095330 0.46280859116166 78.960 > 30 120 Se 0.58477794125551 0.62939130095330 0.46280859116166 78.960 > 30 121 Se 0.41522205874449 0.37939130095330 0.03719140883834 78.960 > 31 122 Se 0.91522205874449 0.37939130095330 0.03719140883834 78.960 > 31 123 Se 0.41522205874449 0.87939130095330 0.03719140883834 78.960 > 31 124 Se 0.91522205874449 0.87939130095330 0.03719140883834 78.960 > 31 125 Se 0.16272610444928 0.24407681699767 0.78685130849475 78.960 > 32 126 Se 0.66272610444928 0.24407681699767 0.78685130849475 78.960 > 32 127 Se 0.16272610444928 0.74407681699767 0.78685130849475 78.960 > 32 128 Se 0.66272610444928 0.74407681699767 0.78685130849475 78.960 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.0609887 0.0000000 0.1709908 0.0000000 15.0755255 0.0000000 0.1710049 0.0000000 13.0123184 -------------------------- Born effective charges -------------------------- 1 Sc 3.8029863 0.0359453 0.8819853 0.6026807 5.0116245 0.1884997 0.9801922 0.6639296 3.7166101 2 Sc 3.8022882 -0.0229487 0.8392041 -0.0419694 4.8497614 -0.0249197 0.8936781 -0.0041459 3.6852908 3 Sc 3.8022882 0.0229487 0.8392041 0.0419694 4.8497614 0.0249197 0.8936781 0.0041459 3.6852908 4 Sc 3.8029863 -0.0359453 0.8819853 -0.6026807 5.0116245 -0.1884997 0.9801922 -0.6639296 3.7166101 5 Sc 3.8029863 -0.0359453 0.8819853 -0.6026807 5.0116245 -0.1884997 0.9801922 -0.6639296 3.7166101 6 Sc 3.8022882 0.0229487 0.8392041 0.0419694 4.8497614 0.0249197 0.8936781 0.0041459 3.6852908 7 Sc 3.8022882 -0.0229487 0.8392041 -0.0419694 4.8497614 -0.0249197 0.8936781 -0.0041459 3.6852908 8 Sc 3.8029863 0.0359453 0.8819853 0.6026807 5.0116245 0.1884997 0.9801922 0.6639296 3.7166101 9 Cu 0.7547016 0.0249863 -0.2195633 -0.0101585 0.7795032 0.0172351 -0.1924131 0.0427613 0.8378667 10 Cu 0.7808392 0.0064754 -0.1490944 0.0546199 0.8324600 0.0247117 -0.1494378 0.1015080 0.7602070 11 Cu 0.7547016 -0.0249863 -0.2195633 0.0101585 0.7795032 -0.0172351 -0.1924131 -0.0427613 0.8378667 12 Cu 0.7808392 -0.0064754 -0.1490944 -0.0546199 0.8324600 -0.0247117 -0.1494378 -0.1015080 0.7602070 13 Cu 0.7808392 -0.0064754 -0.1490944 -0.0546199 0.8324600 -0.0247117 -0.1494378 -0.1015080 0.7602070 14 Cu 0.7547016 -0.0249863 -0.2195633 0.0101585 0.7795032 -0.0172351 -0.1924131 -0.0427613 0.8378667 15 Cu 0.7808392 0.0064754 -0.1490944 0.0546199 0.8324600 0.0247117 -0.1494378 0.1015080 0.7602070 16 Cu 0.7547016 0.0249863 -0.2195633 -0.0101585 0.7795032 0.0172351 -0.1924131 0.0427613 0.8378667 17 Se -2.3708024 0.0072649 -0.4059757 -0.1368950 -2.6245855 0.5779675 -0.7610287 0.0846414 -1.9812749 18 Se -2.4924195 -0.1600002 -0.5894745 0.1521057 -2.7246329 -0.5962059 -0.5390918 -0.1933764 -2.0066692 19 Se -2.4924195 0.1600002 -0.5894745 -0.1521057 -2.7246329 0.5962059 -0.5390918 0.1933764 -2.0066692 20 Se -2.1469213 0.0350162 -0.2144488 0.1336898 -2.9721802 -0.5485491 -0.0502390 -0.1353831 -2.5149239 21 Se -2.1469213 -0.0350162 -0.2144488 -0.1336898 -2.9721802 0.5485491 -0.0502390 0.1353831 -2.5149239 22 Se -2.1306720 0.1292481 -0.1426327 -0.1258238 -3.1519506 0.6797711 -0.1816600 0.3194109 -2.4971066 23 Se -2.1306720 -0.1292481 -0.1426327 0.1258238 -3.1519506 -0.6797711 -0.1816600 -0.3194109 -2.4971066 24 Se -2.3708024 -0.0072649 -0.4059757 0.1368950 -2.6245855 -0.5779675 -0.7610287 -0.0846414 -1.9812749 25 Se -2.3708024 -0.0072649 -0.4059757 0.1368950 -2.6245855 -0.5779675 -0.7610287 -0.0846414 -1.9812749 26 Se -2.1306720 -0.1292481 -0.1426327 0.1258238 -3.1519506 -0.6797711 -0.1816600 -0.3194109 -2.4971066 27 Se -2.1306720 0.1292481 -0.1426327 -0.1258238 -3.1519506 0.6797711 -0.1816600 0.3194109 -2.4971066 28 Se -2.1469213 -0.0350162 -0.2144488 -0.1336898 -2.9721802 0.5485491 -0.0502390 0.1353831 -2.5149239 29 Se -2.1469213 0.0350162 -0.2144488 0.1336898 -2.9721802 -0.5485491 -0.0502390 -0.1353831 -2.5149239 30 Se -2.4924195 0.1600002 -0.5894745 -0.1521057 -2.7246329 0.5962059 -0.5390918 0.1933764 -2.0066692 31 Se -2.4924195 -0.1600002 -0.5894745 0.1521057 -2.7246329 -0.5962059 -0.5390918 -0.1933764 -2.0066692 32 Se -2.3708024 0.0072649 -0.4059757 -0.1368950 -2.6245855 0.5779675 -0.7610287 0.0846414 -1.9812749 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.431 Solver_block: 200 / 960 - Time: 1.272 Solver_block: 300 / 960 - Time: 1.271 Solver_block: 400 / 960 - Time: 1.259 Solver_block: 500 / 960 - Time: 1.273 Solver_block: 600 / 960 - Time: 1.270 Solver_block: 700 / 960 - Time: 1.275 Solver_block: 800 / 960 - Time: 1.264 Solver_block: 900 / 960 - Time: 1.239 Solver_block: 960 / 960 - Time: 0.877 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.773 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) 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 21:43:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:43:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.095158068820659 0.000000000000000 0.000000000000000 b 0.000000000000000 7.650622000000002 0.000000000000000 c -8.489868067795776 0.000000000000000 9.131372879359878 Atomic positions (fractional): 1 Sc 0.00502201072386 0.50003665051299 0.76308833511132 44.956 2 Sc 0.50353839410968 0.25882071092597 0.00857187537249 44.956 3 Sc 0.50353839410968 0.24117928907403 0.50857187537249 44.956 4 Sc 0.99497798927614 0.00003665051299 0.73691166488868 44.956 5 Sc 0.00502201072386 0.99996334948701 0.26308833511132 44.956 6 Sc 0.49646160589032 0.75882071092597 0.49142812462751 44.956 7 Sc 0.49646160589032 0.74117928907403 0.99142812462751 44.956 8 Sc 0.99497798927614 0.49996334948701 0.23691166488868 44.956 9 Cu 0.33231907821310 0.50366765544118 0.10066550545647 63.546 10 Cu 0.82788035711582 0.24815814488819 0.34994181245646 63.546 11 Cu 0.66768092178690 0.00366765544118 0.39933449454353 63.546 12 Cu 0.17211964288418 0.74815814488819 0.15005818754354 63.546 13 Cu 0.82788035711582 0.25184185511181 0.84994181245646 63.546 14 Cu 0.33231907821310 0.99633234455882 0.60066550545647 63.546 15 Cu 0.17211964288418 0.75184185511181 0.65005818754354 63.546 16 Cu 0.66768092178690 0.49633234455882 0.89933449454353 63.546 17 Se 0.67454779110145 0.51184636600466 0.21314869150525 78.960 18 Se 0.16955588251102 0.24121739809340 0.96280859116166 78.960 19 Se 0.83044411748898 0.74121739809340 0.53719140883834 78.960 20 Se 0.65820883134480 0.99228452840481 0.20137252235969 78.960 21 Se 0.34179116865520 0.49228452840482 0.29862747764031 78.960 22 Se 0.16510976785310 0.76274592227794 0.95274074130827 78.960 23 Se 0.83489023214689 0.26274592227794 0.54725925869173 78.960 24 Se 0.32545220889855 0.01184636600466 0.28685130849475 78.960 25 Se 0.67454779110145 0.98815363399534 0.71314869150525 78.960 26 Se 0.16510976785310 0.73725407772206 0.45274074130827 78.960 27 Se 0.83489023214689 0.23725407772206 0.04725925869173 78.960 28 Se 0.65820883134480 0.50771547159519 0.70137252235969 78.960 29 Se 0.34179116865520 0.00771547159519 0.79862747764031 78.960 30 Se 0.16955588251102 0.25878260190660 0.46280859116166 78.960 31 Se 0.83044411748898 0.75878260190660 0.03719140883834 78.960 32 Se 0.32545220889855 0.48815363399534 0.78685130849475 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.190316137641318 0.000000000000000 0.000000000000000 b 0.000000000000000 15.301244000000004 0.000000000000000 c -8.489868067795776 0.000000000000000 9.131372879359878 Atomic positions (fractional): 1 Sc 0.00251100536193 0.25001832525650 0.76308833511132 44.956 > 1 2 Sc 0.50251100536193 0.25001832525650 0.76308833511132 44.956 > 1 3 Sc 0.00251100536193 0.75001832525650 0.76308833511132 44.956 > 1 4 Sc 0.50251100536193 0.75001832525650 0.76308833511132 44.956 > 1 5 Sc 0.25176919705484 0.12941035546298 0.00857187537249 44.956 > 5 6 Sc 0.75176919705484 0.12941035546298 0.00857187537249 44.956 > 5 7 Sc 0.25176919705484 0.62941035546298 0.00857187537249 44.956 > 5 8 Sc 0.75176919705484 0.62941035546298 0.00857187537249 44.956 > 5 9 Sc 0.25176919705484 0.12058964453702 0.50857187537249 44.956 > 9 10 Sc 0.75176919705484 0.12058964453702 0.50857187537249 44.956 > 9 11 Sc 0.25176919705484 0.62058964453702 0.50857187537249 44.956 > 9 12 Sc 0.75176919705484 0.62058964453702 0.50857187537249 44.956 > 9 13 Sc 0.49748899463807 0.00001832525650 0.73691166488868 44.956 > 13 14 Sc 0.99748899463807 0.00001832525650 0.73691166488868 44.956 > 13 15 Sc 0.49748899463807 0.50001832525650 0.73691166488868 44.956 > 13 16 Sc 0.99748899463807 0.50001832525650 0.73691166488868 44.956 > 13 17 Sc 0.00251100536193 0.49998167474350 0.26308833511132 44.956 > 17 18 Sc 0.50251100536193 0.49998167474350 0.26308833511132 44.956 > 17 19 Sc 0.00251100536193 0.99998167474350 0.26308833511132 44.956 > 17 20 Sc 0.50251100536193 0.99998167474350 0.26308833511132 44.956 > 17 21 Sc 0.24823080294516 0.37941035546298 0.49142812462751 44.956 > 21 22 Sc 0.74823080294516 0.37941035546298 0.49142812462751 44.956 > 21 23 Sc 0.24823080294516 0.87941035546298 0.49142812462751 44.956 > 21 24 Sc 0.74823080294516 0.87941035546298 0.49142812462751 44.956 > 21 25 Sc 0.24823080294516 0.37058964453702 0.99142812462751 44.956 > 25 26 Sc 0.74823080294516 0.37058964453702 0.99142812462751 44.956 > 25 27 Sc 0.24823080294516 0.87058964453702 0.99142812462751 44.956 > 25 28 Sc 0.74823080294516 0.87058964453702 0.99142812462751 44.956 > 25 29 Sc 0.49748899463807 0.24998167474350 0.23691166488868 44.956 > 29 30 Sc 0.99748899463807 0.24998167474350 0.23691166488868 44.956 > 29 31 Sc 0.49748899463807 0.74998167474350 0.23691166488868 44.956 > 29 32 Sc 0.99748899463807 0.74998167474350 0.23691166488868 44.956 > 29 33 Cu 0.16615953910655 0.25183382772059 0.10066550545647 63.546 > 33 34 Cu 0.66615953910655 0.25183382772059 0.10066550545647 63.546 > 33 35 Cu 0.16615953910655 0.75183382772059 0.10066550545647 63.546 > 33 36 Cu 0.66615953910655 0.75183382772059 0.10066550545647 63.546 > 33 37 Cu 0.41394017855791 0.12407907244410 0.34994181245646 63.546 > 37 38 Cu 0.91394017855791 0.12407907244410 0.34994181245646 63.546 > 37 39 Cu 0.41394017855791 0.62407907244410 0.34994181245646 63.546 > 37 40 Cu 0.91394017855791 0.62407907244410 0.34994181245646 63.546 > 37 41 Cu 0.33384046089345 0.00183382772059 0.39933449454353 63.546 > 41 42 Cu 0.83384046089345 0.00183382772059 0.39933449454353 63.546 > 41 43 Cu 0.33384046089345 0.50183382772059 0.39933449454353 63.546 > 41 44 Cu 0.83384046089345 0.50183382772059 0.39933449454353 63.546 > 41 45 Cu 0.08605982144209 0.37407907244410 0.15005818754354 63.546 > 45 46 Cu 0.58605982144209 0.37407907244410 0.15005818754354 63.546 > 45 47 Cu 0.08605982144209 0.87407907244410 0.15005818754354 63.546 > 45 48 Cu 0.58605982144209 0.87407907244410 0.15005818754354 63.546 > 45 49 Cu 0.41394017855791 0.12592092755590 0.84994181245646 63.546 > 49 50 Cu 0.91394017855791 0.12592092755590 0.84994181245646 63.546 > 49 51 Cu 0.41394017855791 0.62592092755590 0.84994181245646 63.546 > 49 52 Cu 0.91394017855791 0.62592092755590 0.84994181245646 63.546 > 49 53 Cu 0.16615953910655 0.49816617227941 0.60066550545647 63.546 > 53 54 Cu 0.66615953910655 0.49816617227941 0.60066550545647 63.546 > 53 55 Cu 0.16615953910655 0.99816617227941 0.60066550545647 63.546 > 53 56 Cu 0.66615953910655 0.99816617227941 0.60066550545647 63.546 > 53 57 Cu 0.08605982144209 0.37592092755590 0.65005818754354 63.546 > 57 58 Cu 0.58605982144209 0.37592092755590 0.65005818754354 63.546 > 57 59 Cu 0.08605982144209 0.87592092755590 0.65005818754354 63.546 > 57 60 Cu 0.58605982144209 0.87592092755590 0.65005818754354 63.546 > 57 61 Cu 0.33384046089345 0.24816617227941 0.89933449454353 63.546 > 61 62 Cu 0.83384046089345 0.24816617227941 0.89933449454353 63.546 > 61 63 Cu 0.33384046089345 0.74816617227941 0.89933449454353 63.546 > 61 64 Cu 0.83384046089345 0.74816617227941 0.89933449454353 63.546 > 61 65 Se 0.33727389555072 0.25592318300233 0.21314869150525 78.960 > 65 66 Se 0.83727389555072 0.25592318300233 0.21314869150525 78.960 > 65 67 Se 0.33727389555072 0.75592318300233 0.21314869150525 78.960 > 65 68 Se 0.83727389555072 0.75592318300233 0.21314869150525 78.960 > 65 69 Se 0.08477794125551 0.12060869904670 0.96280859116166 78.960 > 69 70 Se 0.58477794125551 0.12060869904670 0.96280859116166 78.960 > 69 71 Se 0.08477794125551 0.62060869904670 0.96280859116166 78.960 > 69 72 Se 0.58477794125551 0.62060869904670 0.96280859116166 78.960 > 69 73 Se 0.41522205874449 0.37060869904670 0.53719140883834 78.960 > 73 74 Se 0.91522205874449 0.37060869904670 0.53719140883834 78.960 > 73 75 Se 0.41522205874449 0.87060869904670 0.53719140883834 78.960 > 73 76 Se 0.91522205874449 0.87060869904670 0.53719140883834 78.960 > 73 77 Se 0.32910441567240 0.49614226420241 0.20137252235969 78.960 > 77 78 Se 0.82910441567240 0.49614226420241 0.20137252235969 78.960 > 77 79 Se 0.32910441567240 0.99614226420241 0.20137252235969 78.960 > 77 80 Se 0.82910441567240 0.99614226420241 0.20137252235969 78.960 > 77 81 Se 0.17089558432760 0.24614226420241 0.29862747764031 78.960 > 81 82 Se 0.67089558432760 0.24614226420241 0.29862747764031 78.960 > 81 83 Se 0.17089558432760 0.74614226420241 0.29862747764031 78.960 > 81 84 Se 0.67089558432760 0.74614226420241 0.29862747764031 78.960 > 81 85 Se 0.08255488392655 0.38137296113897 0.95274074130827 78.960 > 85 86 Se 0.58255488392655 0.38137296113897 0.95274074130827 78.960 > 85 87 Se 0.08255488392655 0.88137296113897 0.95274074130827 78.960 > 85 88 Se 0.58255488392655 0.88137296113897 0.95274074130827 78.960 > 85 89 Se 0.41744511607345 0.13137296113897 0.54725925869173 78.960 > 89 90 Se 0.91744511607345 0.13137296113897 0.54725925869173 78.960 > 89 91 Se 0.41744511607345 0.63137296113897 0.54725925869173 78.960 > 89 92 Se 0.91744511607345 0.63137296113897 0.54725925869173 78.960 > 89 93 Se 0.16272610444928 0.00592318300233 0.28685130849475 78.960 > 93 94 Se 0.66272610444928 0.00592318300233 0.28685130849475 78.960 > 93 95 Se 0.16272610444928 0.50592318300233 0.28685130849475 78.960 > 93 96 Se 0.66272610444928 0.50592318300233 0.28685130849475 78.960 > 93 97 Se 0.33727389555072 0.49407681699767 0.71314869150525 78.960 > 97 98 Se 0.83727389555072 0.49407681699767 0.71314869150525 78.960 > 97 99 Se 0.33727389555072 0.99407681699767 0.71314869150525 78.960 > 97 100 Se 0.83727389555072 0.99407681699767 0.71314869150525 78.960 > 97 101 Se 0.08255488392655 0.36862703886103 0.45274074130827 78.960 > 101 102 Se 0.58255488392655 0.36862703886103 0.45274074130827 78.960 > 101 103 Se 0.08255488392655 0.86862703886103 0.45274074130827 78.960 > 101 104 Se 0.58255488392655 0.86862703886103 0.45274074130827 78.960 > 101 105 Se 0.41744511607345 0.11862703886103 0.04725925869173 78.960 > 105 106 Se 0.91744511607345 0.11862703886103 0.04725925869173 78.960 > 105 107 Se 0.41744511607345 0.61862703886103 0.04725925869173 78.960 > 105 108 Se 0.91744511607345 0.61862703886103 0.04725925869173 78.960 > 105 109 Se 0.32910441567240 0.25385773579759 0.70137252235969 78.960 > 109 110 Se 0.82910441567240 0.25385773579759 0.70137252235969 78.960 > 109 111 Se 0.32910441567240 0.75385773579759 0.70137252235969 78.960 > 109 112 Se 0.82910441567240 0.75385773579759 0.70137252235969 78.960 > 109 113 Se 0.17089558432760 0.00385773579759 0.79862747764031 78.960 > 113 114 Se 0.67089558432760 0.00385773579759 0.79862747764031 78.960 > 113 115 Se 0.17089558432760 0.50385773579759 0.79862747764031 78.960 > 113 116 Se 0.67089558432760 0.50385773579759 0.79862747764031 78.960 > 113 117 Se 0.08477794125551 0.12939130095330 0.46280859116166 78.960 > 117 118 Se 0.58477794125551 0.12939130095330 0.46280859116166 78.960 > 117 119 Se 0.08477794125551 0.62939130095330 0.46280859116166 78.960 > 117 120 Se 0.58477794125551 0.62939130095330 0.46280859116166 78.960 > 117 121 Se 0.41522205874449 0.37939130095330 0.03719140883834 78.960 > 121 122 Se 0.91522205874449 0.37939130095330 0.03719140883834 78.960 > 121 123 Se 0.41522205874449 0.87939130095330 0.03719140883834 78.960 > 121 124 Se 0.91522205874449 0.87939130095330 0.03719140883834 78.960 > 121 125 Se 0.16272610444928 0.24407681699767 0.78685130849475 78.960 > 125 126 Se 0.66272610444928 0.24407681699767 0.78685130849475 78.960 > 125 127 Se 0.16272610444928 0.74407681699767 0.78685130849475 78.960 > 125 128 Se 0.66272610444928 0.74407681699767 0.78685130849475 78.960 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.0609887 0.0000000 0.1709908 0.0000000 15.0755255 0.0000000 0.1710049 0.0000000 13.0123184 -------------------------- Born effective charges -------------------------- 1 Sc 3.8029863 0.0359453 0.8819853 0.6026807 5.0116245 0.1884997 0.9801922 0.6639296 3.7166101 2 Sc 3.8022882 -0.0229487 0.8392041 -0.0419694 4.8497614 -0.0249197 0.8936781 -0.0041459 3.6852908 3 Sc 3.8022882 0.0229487 0.8392041 0.0419694 4.8497614 0.0249197 0.8936781 0.0041459 3.6852908 4 Sc 3.8029863 -0.0359453 0.8819853 -0.6026807 5.0116245 -0.1884997 0.9801922 -0.6639296 3.7166101 5 Sc 3.8029863 -0.0359453 0.8819853 -0.6026807 5.0116245 -0.1884997 0.9801922 -0.6639296 3.7166101 6 Sc 3.8022882 0.0229487 0.8392041 0.0419694 4.8497614 0.0249197 0.8936781 0.0041459 3.6852908 7 Sc 3.8022882 -0.0229487 0.8392041 -0.0419694 4.8497614 -0.0249197 0.8936781 -0.0041459 3.6852908 8 Sc 3.8029863 0.0359453 0.8819853 0.6026807 5.0116245 0.1884997 0.9801922 0.6639296 3.7166101 9 Cu 0.7547016 0.0249863 -0.2195633 -0.0101585 0.7795032 0.0172351 -0.1924131 0.0427613 0.8378667 10 Cu 0.7808392 0.0064754 -0.1490944 0.0546199 0.8324600 0.0247117 -0.1494378 0.1015080 0.7602070 11 Cu 0.7547016 -0.0249863 -0.2195633 0.0101585 0.7795032 -0.0172351 -0.1924131 -0.0427613 0.8378667 12 Cu 0.7808392 -0.0064754 -0.1490944 -0.0546199 0.8324600 -0.0247117 -0.1494378 -0.1015080 0.7602070 13 Cu 0.7808392 -0.0064754 -0.1490944 -0.0546199 0.8324600 -0.0247117 -0.1494378 -0.1015080 0.7602070 14 Cu 0.7547016 -0.0249863 -0.2195633 0.0101585 0.7795032 -0.0172351 -0.1924131 -0.0427613 0.8378667 15 Cu 0.7808392 0.0064754 -0.1490944 0.0546199 0.8324600 0.0247117 -0.1494378 0.1015080 0.7602070 16 Cu 0.7547016 0.0249863 -0.2195633 -0.0101585 0.7795032 0.0172351 -0.1924131 0.0427613 0.8378667 17 Se -2.3708024 0.0072649 -0.4059757 -0.1368950 -2.6245855 0.5779675 -0.7610287 0.0846414 -1.9812749 18 Se -2.4924195 -0.1600002 -0.5894745 0.1521057 -2.7246329 -0.5962059 -0.5390918 -0.1933764 -2.0066692 19 Se -2.4924195 0.1600002 -0.5894745 -0.1521057 -2.7246329 0.5962059 -0.5390918 0.1933764 -2.0066692 20 Se -2.1469213 0.0350162 -0.2144488 0.1336898 -2.9721802 -0.5485491 -0.0502390 -0.1353831 -2.5149239 21 Se -2.1469213 -0.0350162 -0.2144488 -0.1336898 -2.9721802 0.5485491 -0.0502390 0.1353831 -2.5149239 22 Se -2.1306720 0.1292481 -0.1426327 -0.1258238 -3.1519506 0.6797711 -0.1816600 0.3194109 -2.4971066 23 Se -2.1306720 -0.1292481 -0.1426327 0.1258238 -3.1519506 -0.6797711 -0.1816600 -0.3194109 -2.4971066 24 Se -2.3708024 -0.0072649 -0.4059757 0.1368950 -2.6245855 -0.5779675 -0.7610287 -0.0846414 -1.9812749 25 Se -2.3708024 -0.0072649 -0.4059757 0.1368950 -2.6245855 -0.5779675 -0.7610287 -0.0846414 -1.9812749 26 Se -2.1306720 -0.1292481 -0.1426327 0.1258238 -3.1519506 -0.6797711 -0.1816600 -0.3194109 -2.4971066 27 Se -2.1306720 0.1292481 -0.1426327 -0.1258238 -3.1519506 0.6797711 -0.1816600 0.3194109 -2.4971066 28 Se -2.1469213 -0.0350162 -0.2144488 -0.1336898 -2.9721802 0.5485491 -0.0502390 0.1353831 -2.5149239 29 Se -2.1469213 0.0350162 -0.2144488 0.1336898 -2.9721802 -0.5485491 -0.0502390 -0.1353831 -2.5149239 30 Se -2.4924195 0.1600002 -0.5894745 -0.1521057 -2.7246329 0.5962059 -0.5390918 0.1933764 -2.0066692 31 Se -2.4924195 -0.1600002 -0.5894745 0.1521057 -2.7246329 -0.5962059 -0.5390918 -0.1933764 -2.0066692 32 Se -2.3708024 0.0072649 -0.4059757 -0.1368950 -2.6245855 0.5779675 -0.7610287 0.0846414 -1.9812749 ---------------------------------------------------------------------------- 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 5, 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 37, 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 69, 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Computing fc3[ 77, 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] 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] [-0.0068 0.0000 0.0073] [ 0.0068 0.0000 -0.0073] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 21:44:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:44:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.095158068820659 0.000000000000000 0.000000000000000 b 0.000000000000000 7.650622000000002 0.000000000000000 c -8.489868067795776 0.000000000000000 9.131372879359878 Atomic positions (fractional): 1 Sc 0.00502201072386 0.50003665051299 0.76308833511132 44.956 2 Sc 0.50353839410968 0.25882071092597 0.00857187537249 44.956 3 Sc 0.50353839410968 0.24117928907403 0.50857187537249 44.956 4 Sc 0.99497798927614 0.00003665051299 0.73691166488868 44.956 5 Sc 0.00502201072386 0.99996334948701 0.26308833511132 44.956 6 Sc 0.49646160589032 0.75882071092597 0.49142812462751 44.956 7 Sc 0.49646160589032 0.74117928907403 0.99142812462751 44.956 8 Sc 0.99497798927614 0.49996334948701 0.23691166488868 44.956 9 Cu 0.33231907821310 0.50366765544118 0.10066550545647 63.546 10 Cu 0.82788035711582 0.24815814488819 0.34994181245646 63.546 11 Cu 0.66768092178690 0.00366765544118 0.39933449454353 63.546 12 Cu 0.17211964288418 0.74815814488819 0.15005818754354 63.546 13 Cu 0.82788035711582 0.25184185511181 0.84994181245646 63.546 14 Cu 0.33231907821310 0.99633234455882 0.60066550545647 63.546 15 Cu 0.17211964288418 0.75184185511181 0.65005818754354 63.546 16 Cu 0.66768092178690 0.49633234455882 0.89933449454353 63.546 17 Se 0.67454779110145 0.51184636600466 0.21314869150525 78.960 18 Se 0.16955588251102 0.24121739809340 0.96280859116166 78.960 19 Se 0.83044411748898 0.74121739809340 0.53719140883834 78.960 20 Se 0.65820883134480 0.99228452840481 0.20137252235969 78.960 21 Se 0.34179116865520 0.49228452840482 0.29862747764031 78.960 22 Se 0.16510976785310 0.76274592227794 0.95274074130827 78.960 23 Se 0.83489023214689 0.26274592227794 0.54725925869173 78.960 24 Se 0.32545220889855 0.01184636600466 0.28685130849475 78.960 25 Se 0.67454779110145 0.98815363399534 0.71314869150525 78.960 26 Se 0.16510976785310 0.73725407772206 0.45274074130827 78.960 27 Se 0.83489023214689 0.23725407772206 0.04725925869173 78.960 28 Se 0.65820883134480 0.50771547159519 0.70137252235969 78.960 29 Se 0.34179116865520 0.00771547159519 0.79862747764031 78.960 30 Se 0.16955588251102 0.25878260190660 0.46280859116166 78.960 31 Se 0.83044411748898 0.75878260190660 0.03719140883834 78.960 32 Se 0.32545220889855 0.48815363399534 0.78685130849475 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.190316137641318 0.000000000000000 0.000000000000000 b 0.000000000000000 15.301244000000004 0.000000000000000 c -8.489868067795776 0.000000000000000 9.131372879359878 Atomic positions (fractional): 1 Sc 0.00251100536193 0.25001832525650 0.76308833511132 44.956 > 1 2 Sc 0.50251100536193 0.25001832525650 0.76308833511132 44.956 > 1 3 Sc 0.00251100536193 0.75001832525650 0.76308833511132 44.956 > 1 4 Sc 0.50251100536193 0.75001832525650 0.76308833511132 44.956 > 1 5 Sc 0.25176919705484 0.12941035546298 0.00857187537249 44.956 > 5 6 Sc 0.75176919705484 0.12941035546298 0.00857187537249 44.956 > 5 7 Sc 0.25176919705484 0.62941035546298 0.00857187537249 44.956 > 5 8 Sc 0.75176919705484 0.62941035546298 0.00857187537249 44.956 > 5 9 Sc 0.25176919705484 0.12058964453702 0.50857187537249 44.956 > 9 10 Sc 0.75176919705484 0.12058964453702 0.50857187537249 44.956 > 9 11 Sc 0.25176919705484 0.62058964453702 0.50857187537249 44.956 > 9 12 Sc 0.75176919705484 0.62058964453702 0.50857187537249 44.956 > 9 13 Sc 0.49748899463807 0.00001832525650 0.73691166488868 44.956 > 13 14 Sc 0.99748899463807 0.00001832525650 0.73691166488868 44.956 > 13 15 Sc 0.49748899463807 0.50001832525650 0.73691166488868 44.956 > 13 16 Sc 0.99748899463807 0.50001832525650 0.73691166488868 44.956 > 13 17 Sc 0.00251100536193 0.49998167474350 0.26308833511132 44.956 > 17 18 Sc 0.50251100536193 0.49998167474350 0.26308833511132 44.956 > 17 19 Sc 0.00251100536193 0.99998167474350 0.26308833511132 44.956 > 17 20 Sc 0.50251100536193 0.99998167474350 0.26308833511132 44.956 > 17 21 Sc 0.24823080294516 0.37941035546298 0.49142812462751 44.956 > 21 22 Sc 0.74823080294516 0.37941035546298 0.49142812462751 44.956 > 21 23 Sc 0.24823080294516 0.87941035546298 0.49142812462751 44.956 > 21 24 Sc 0.74823080294516 0.87941035546298 0.49142812462751 44.956 > 21 25 Sc 0.24823080294516 0.37058964453702 0.99142812462751 44.956 > 25 26 Sc 0.74823080294516 0.37058964453702 0.99142812462751 44.956 > 25 27 Sc 0.24823080294516 0.87058964453702 0.99142812462751 44.956 > 25 28 Sc 0.74823080294516 0.87058964453702 0.99142812462751 44.956 > 25 29 Sc 0.49748899463807 0.24998167474350 0.23691166488868 44.956 > 29 30 Sc 0.99748899463807 0.24998167474350 0.23691166488868 44.956 > 29 31 Sc 0.49748899463807 0.74998167474350 0.23691166488868 44.956 > 29 32 Sc 0.99748899463807 0.74998167474350 0.23691166488868 44.956 > 29 33 Cu 0.16615953910655 0.25183382772059 0.10066550545647 63.546 > 33 34 Cu 0.66615953910655 0.25183382772059 0.10066550545647 63.546 > 33 35 Cu 0.16615953910655 0.75183382772059 0.10066550545647 63.546 > 33 36 Cu 0.66615953910655 0.75183382772059 0.10066550545647 63.546 > 33 37 Cu 0.41394017855791 0.12407907244410 0.34994181245646 63.546 > 37 38 Cu 0.91394017855791 0.12407907244410 0.34994181245646 63.546 > 37 39 Cu 0.41394017855791 0.62407907244410 0.34994181245646 63.546 > 37 40 Cu 0.91394017855791 0.62407907244410 0.34994181245646 63.546 > 37 41 Cu 0.33384046089345 0.00183382772059 0.39933449454353 63.546 > 41 42 Cu 0.83384046089345 0.00183382772059 0.39933449454353 63.546 > 41 43 Cu 0.33384046089345 0.50183382772059 0.39933449454353 63.546 > 41 44 Cu 0.83384046089345 0.50183382772059 0.39933449454353 63.546 > 41 45 Cu 0.08605982144209 0.37407907244410 0.15005818754354 63.546 > 45 46 Cu 0.58605982144209 0.37407907244410 0.15005818754354 63.546 > 45 47 Cu 0.08605982144209 0.87407907244410 0.15005818754354 63.546 > 45 48 Cu 0.58605982144209 0.87407907244410 0.15005818754354 63.546 > 45 49 Cu 0.41394017855791 0.12592092755590 0.84994181245646 63.546 > 49 50 Cu 0.91394017855791 0.12592092755590 0.84994181245646 63.546 > 49 51 Cu 0.41394017855791 0.62592092755590 0.84994181245646 63.546 > 49 52 Cu 0.91394017855791 0.62592092755590 0.84994181245646 63.546 > 49 53 Cu 0.16615953910655 0.49816617227941 0.60066550545647 63.546 > 53 54 Cu 0.66615953910655 0.49816617227941 0.60066550545647 63.546 > 53 55 Cu 0.16615953910655 0.99816617227941 0.60066550545647 63.546 > 53 56 Cu 0.66615953910655 0.99816617227941 0.60066550545647 63.546 > 53 57 Cu 0.08605982144209 0.37592092755590 0.65005818754354 63.546 > 57 58 Cu 0.58605982144209 0.37592092755590 0.65005818754354 63.546 > 57 59 Cu 0.08605982144209 0.87592092755590 0.65005818754354 63.546 > 57 60 Cu 0.58605982144209 0.87592092755590 0.65005818754354 63.546 > 57 61 Cu 0.33384046089345 0.24816617227941 0.89933449454353 63.546 > 61 62 Cu 0.83384046089345 0.24816617227941 0.89933449454353 63.546 > 61 63 Cu 0.33384046089345 0.74816617227941 0.89933449454353 63.546 > 61 64 Cu 0.83384046089345 0.74816617227941 0.89933449454353 63.546 > 61 65 Se 0.33727389555072 0.25592318300233 0.21314869150525 78.960 > 65 66 Se 0.83727389555072 0.25592318300233 0.21314869150525 78.960 > 65 67 Se 0.33727389555072 0.75592318300233 0.21314869150525 78.960 > 65 68 Se 0.83727389555072 0.75592318300233 0.21314869150525 78.960 > 65 69 Se 0.08477794125551 0.12060869904670 0.96280859116166 78.960 > 69 70 Se 0.58477794125551 0.12060869904670 0.96280859116166 78.960 > 69 71 Se 0.08477794125551 0.62060869904670 0.96280859116166 78.960 > 69 72 Se 0.58477794125551 0.62060869904670 0.96280859116166 78.960 > 69 73 Se 0.41522205874449 0.37060869904670 0.53719140883834 78.960 > 73 74 Se 0.91522205874449 0.37060869904670 0.53719140883834 78.960 > 73 75 Se 0.41522205874449 0.87060869904670 0.53719140883834 78.960 > 73 76 Se 0.91522205874449 0.87060869904670 0.53719140883834 78.960 > 73 77 Se 0.32910441567240 0.49614226420241 0.20137252235969 78.960 > 77 78 Se 0.82910441567240 0.49614226420241 0.20137252235969 78.960 > 77 79 Se 0.32910441567240 0.99614226420241 0.20137252235969 78.960 > 77 80 Se 0.82910441567240 0.99614226420241 0.20137252235969 78.960 > 77 81 Se 0.17089558432760 0.24614226420241 0.29862747764031 78.960 > 81 82 Se 0.67089558432760 0.24614226420241 0.29862747764031 78.960 > 81 83 Se 0.17089558432760 0.74614226420241 0.29862747764031 78.960 > 81 84 Se 0.67089558432760 0.74614226420241 0.29862747764031 78.960 > 81 85 Se 0.08255488392655 0.38137296113897 0.95274074130827 78.960 > 85 86 Se 0.58255488392655 0.38137296113897 0.95274074130827 78.960 > 85 87 Se 0.08255488392655 0.88137296113897 0.95274074130827 78.960 > 85 88 Se 0.58255488392655 0.88137296113897 0.95274074130827 78.960 > 85 89 Se 0.41744511607345 0.13137296113897 0.54725925869173 78.960 > 89 90 Se 0.91744511607345 0.13137296113897 0.54725925869173 78.960 > 89 91 Se 0.41744511607345 0.63137296113897 0.54725925869173 78.960 > 89 92 Se 0.91744511607345 0.63137296113897 0.54725925869173 78.960 > 89 93 Se 0.16272610444928 0.00592318300233 0.28685130849475 78.960 > 93 94 Se 0.66272610444928 0.00592318300233 0.28685130849475 78.960 > 93 95 Se 0.16272610444928 0.50592318300233 0.28685130849475 78.960 > 93 96 Se 0.66272610444928 0.50592318300233 0.28685130849475 78.960 > 93 97 Se 0.33727389555072 0.49407681699767 0.71314869150525 78.960 > 97 98 Se 0.83727389555072 0.49407681699767 0.71314869150525 78.960 > 97 99 Se 0.33727389555072 0.99407681699767 0.71314869150525 78.960 > 97 100 Se 0.83727389555072 0.99407681699767 0.71314869150525 78.960 > 97 101 Se 0.08255488392655 0.36862703886103 0.45274074130827 78.960 > 101 102 Se 0.58255488392655 0.36862703886103 0.45274074130827 78.960 > 101 103 Se 0.08255488392655 0.86862703886103 0.45274074130827 78.960 > 101 104 Se 0.58255488392655 0.86862703886103 0.45274074130827 78.960 > 101 105 Se 0.41744511607345 0.11862703886103 0.04725925869173 78.960 > 105 106 Se 0.91744511607345 0.11862703886103 0.04725925869173 78.960 > 105 107 Se 0.41744511607345 0.61862703886103 0.04725925869173 78.960 > 105 108 Se 0.91744511607345 0.61862703886103 0.04725925869173 78.960 > 105 109 Se 0.32910441567240 0.25385773579759 0.70137252235969 78.960 > 109 110 Se 0.82910441567240 0.25385773579759 0.70137252235969 78.960 > 109 111 Se 0.32910441567240 0.75385773579759 0.70137252235969 78.960 > 109 112 Se 0.82910441567240 0.75385773579759 0.70137252235969 78.960 > 109 113 Se 0.17089558432760 0.00385773579759 0.79862747764031 78.960 > 113 114 Se 0.67089558432760 0.00385773579759 0.79862747764031 78.960 > 113 115 Se 0.17089558432760 0.50385773579759 0.79862747764031 78.960 > 113 116 Se 0.67089558432760 0.50385773579759 0.79862747764031 78.960 > 113 117 Se 0.08477794125551 0.12939130095330 0.46280859116166 78.960 > 117 118 Se 0.58477794125551 0.12939130095330 0.46280859116166 78.960 > 117 119 Se 0.08477794125551 0.62939130095330 0.46280859116166 78.960 > 117 120 Se 0.58477794125551 0.62939130095330 0.46280859116166 78.960 > 117 121 Se 0.41522205874449 0.37939130095330 0.03719140883834 78.960 > 121 122 Se 0.91522205874449 0.37939130095330 0.03719140883834 78.960 > 121 123 Se 0.41522205874449 0.87939130095330 0.03719140883834 78.960 > 121 124 Se 0.91522205874449 0.87939130095330 0.03719140883834 78.960 > 121 125 Se 0.16272610444928 0.24407681699767 0.78685130849475 78.960 > 125 126 Se 0.66272610444928 0.24407681699767 0.78685130849475 78.960 > 125 127 Se 0.16272610444928 0.74407681699767 0.78685130849475 78.960 > 125 128 Se 0.66272610444928 0.74407681699767 0.78685130849475 78.960 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.0609887 0.0000000 0.1709908 0.0000000 15.0755255 0.0000000 0.1710049 0.0000000 13.0123184 -------------------------- Born effective charges -------------------------- 1 Sc 3.8029863 0.0359453 0.8819853 0.6026807 5.0116245 0.1884997 0.9801922 0.6639296 3.7166101 2 Sc 3.8022882 -0.0229487 0.8392041 -0.0419694 4.8497614 -0.0249197 0.8936781 -0.0041459 3.6852908 3 Sc 3.8022882 0.0229487 0.8392041 0.0419694 4.8497614 0.0249197 0.8936781 0.0041459 3.6852908 4 Sc 3.8029863 -0.0359453 0.8819853 -0.6026807 5.0116245 -0.1884997 0.9801922 -0.6639296 3.7166101 5 Sc 3.8029863 -0.0359453 0.8819853 -0.6026807 5.0116245 -0.1884997 0.9801922 -0.6639296 3.7166101 6 Sc 3.8022882 0.0229487 0.8392041 0.0419694 4.8497614 0.0249197 0.8936781 0.0041459 3.6852908 7 Sc 3.8022882 -0.0229487 0.8392041 -0.0419694 4.8497614 -0.0249197 0.8936781 -0.0041459 3.6852908 8 Sc 3.8029863 0.0359453 0.8819853 0.6026807 5.0116245 0.1884997 0.9801922 0.6639296 3.7166101 9 Cu 0.7547016 0.0249863 -0.2195633 -0.0101585 0.7795032 0.0172351 -0.1924131 0.0427613 0.8378667 10 Cu 0.7808392 0.0064754 -0.1490944 0.0546199 0.8324600 0.0247117 -0.1494378 0.1015080 0.7602070 11 Cu 0.7547016 -0.0249863 -0.2195633 0.0101585 0.7795032 -0.0172351 -0.1924131 -0.0427613 0.8378667 12 Cu 0.7808392 -0.0064754 -0.1490944 -0.0546199 0.8324600 -0.0247117 -0.1494378 -0.1015080 0.7602070 13 Cu 0.7808392 -0.0064754 -0.1490944 -0.0546199 0.8324600 -0.0247117 -0.1494378 -0.1015080 0.7602070 14 Cu 0.7547016 -0.0249863 -0.2195633 0.0101585 0.7795032 -0.0172351 -0.1924131 -0.0427613 0.8378667 15 Cu 0.7808392 0.0064754 -0.1490944 0.0546199 0.8324600 0.0247117 -0.1494378 0.1015080 0.7602070 16 Cu 0.7547016 0.0249863 -0.2195633 -0.0101585 0.7795032 0.0172351 -0.1924131 0.0427613 0.8378667 17 Se -2.3708024 0.0072649 -0.4059757 -0.1368950 -2.6245855 0.5779675 -0.7610287 0.0846414 -1.9812749 18 Se -2.4924195 -0.1600002 -0.5894745 0.1521057 -2.7246329 -0.5962059 -0.5390918 -0.1933764 -2.0066692 19 Se -2.4924195 0.1600002 -0.5894745 -0.1521057 -2.7246329 0.5962059 -0.5390918 0.1933764 -2.0066692 20 Se -2.1469213 0.0350162 -0.2144488 0.1336898 -2.9721802 -0.5485491 -0.0502390 -0.1353831 -2.5149239 21 Se -2.1469213 -0.0350162 -0.2144488 -0.1336898 -2.9721802 0.5485491 -0.0502390 0.1353831 -2.5149239 22 Se -2.1306720 0.1292481 -0.1426327 -0.1258238 -3.1519506 0.6797711 -0.1816600 0.3194109 -2.4971066 23 Se -2.1306720 -0.1292481 -0.1426327 0.1258238 -3.1519506 -0.6797711 -0.1816600 -0.3194109 -2.4971066 24 Se -2.3708024 -0.0072649 -0.4059757 0.1368950 -2.6245855 -0.5779675 -0.7610287 -0.0846414 -1.9812749 25 Se -2.3708024 -0.0072649 -0.4059757 0.1368950 -2.6245855 -0.5779675 -0.7610287 -0.0846414 -1.9812749 26 Se -2.1306720 -0.1292481 -0.1426327 0.1258238 -3.1519506 -0.6797711 -0.1816600 -0.3194109 -2.4971066 27 Se -2.1306720 0.1292481 -0.1426327 -0.1258238 -3.1519506 0.6797711 -0.1816600 0.3194109 -2.4971066 28 Se -2.1469213 -0.0350162 -0.2144488 -0.1336898 -2.9721802 0.5485491 -0.0502390 0.1353831 -2.5149239 29 Se -2.1469213 0.0350162 -0.2144488 0.1336898 -2.9721802 -0.5485491 -0.0502390 -0.1353831 -2.5149239 30 Se -2.4924195 0.1600002 -0.5894745 -0.1521057 -2.7246329 0.5962059 -0.5390918 0.1933764 -2.0066692 31 Se -2.4924195 -0.1600002 -0.5894745 0.1521057 -2.7246329 -0.5962059 -0.5390918 -0.1933764 -2.0066692 32 Se -2.3708024 0.0072649 -0.4059757 -0.1368950 -2.6245855 0.5779675 -0.7610287 0.0846414 -1.9812749 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 5 ] 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: 0.48, Number of G-points: 305, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 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 1.869 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 2.077 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.822 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.451 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.698 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.594 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 7.642 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.290 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 11.912 0.000 18.719) 22.188 0.479 ( 14.999 0.000 20.520) 25.418 0.849 ( 36.848 0.000 25.204) 44.643 1.721 ( -11.397 0.000 -3.430) 11.902 1.945 ( 3.796 0.000 -9.366) 10.106 1.974 ( 2.360 0.000 0.089) 2.362 1.998 ( 6.620 0.000 -1.206) 6.729 2.091 ( 4.797 0.000 -3.020) 5.669 2.167 ( 6.993 0.000 1.085) 7.077 2.239 ( 0.597 0.000 0.029) 0.598 2.259 ( 3.797 0.000 -0.070) 3.797 2.338 ( 3.224 0.000 -4.358) 5.421 2.405 ( -2.216 0.000 2.318) 3.207 2.425 ( 1.434 0.000 -3.900) 4.155 2.466 ( 0.388 0.000 -4.409) 4.426 2.562 ( 2.351 0.000 1.388) 2.730 2.601 ( -1.614 0.000 6.291) 6.494 2.647 ( 2.088 0.000 1.578) 2.617 2.684 ( 0.330 0.000 0.455) 0.563 2.701 ( 0.491 0.000 -0.461) 0.674 2.759 ( -0.336 0.000 1.958) 1.987 2.774 ( 0.283 0.000 0.233) 0.367 2.853 ( -0.651 0.000 -1.003) 1.196 2.910 ( 1.954 0.000 1.271) 2.331 2.922 ( -0.476 0.000 -3.750) 3.780 2.947 ( -0.082 0.000 -5.272) 5.273 2.988 ( 0.755 0.000 -1.029) 1.276 3.037 ( -1.634 0.000 -2.964) 3.385 3.141 ( -2.467 0.000 -6.131) 6.608 3.149 ( -2.292 0.000 -5.721) 6.163 3.241 ( -1.549 0.000 -3.202) 3.557 3.242 ( 0.644 0.000 0.958) 1.154 3.356 ( -1.368 0.000 -8.113) 8.228 3.376 ( 0.051 0.000 0.988) 0.989 3.427 ( 2.200 0.000 3.840) 4.425 3.478 ( 3.463 0.000 5.791) 6.747 3.561 ( 1.485 0.000 9.741) 9.853 3.677 ( 0.793 0.000 7.070) 7.114 3.773 ( -1.926 0.000 -2.091) 2.843 3.832 ( -3.428 0.000 0.693) 3.497 4.188 ( -0.109 0.000 3.618) 3.619 4.374 ( -4.010 0.000 -0.769) 4.083 4.374 ( 0.300 0.000 0.574) 0.648 4.466 ( -6.132 0.000 -3.285) 6.957 4.475 ( 0.876 0.000 2.242) 2.407 4.504 ( -4.148 0.000 -0.073) 4.149 4.680 ( -1.624 0.000 -6.677) 6.871 4.729 ( 0.316 0.000 -2.268) 2.290 4.826 ( -0.229 0.000 4.130) 4.137 4.873 ( -3.266 0.000 3.853) 5.051 5.008 ( 2.960 0.000 4.256) 5.184 5.092 ( -0.553 0.000 0.508) 0.751 5.121 ( 0.564 0.000 1.865) 1.948 5.178 ( 1.596 0.000 4.582) 4.852 5.241 ( -3.076 0.000 0.767) 3.171 5.466 ( 3.672 0.000 0.510) 3.707 5.469 ( 1.311 0.000 1.960) 2.358 5.515 ( -3.879 0.000 -2.024) 4.376 5.569 ( -0.198 0.000 -1.271) 1.286 5.584 ( 2.559 0.000 1.789) 3.122 5.712 ( 0.653 0.000 1.668) 1.791 5.745 ( 3.225 0.000 3.719) 4.922 5.815 ( -0.505 0.000 -0.940) 1.067 5.829 ( -4.788 0.000 -6.224) 7.853 5.853 ( 0.715 0.000 0.134) 0.727 5.913 ( -2.560 0.000 -4.780) 5.423 5.965 ( 0.105 0.000 -0.112) 0.153 6.004 ( -2.837 0.000 -2.344) 3.680 6.103 ( 2.630 0.000 -0.296) 2.647 6.142 ( -6.616 0.000 1.219) 6.727 6.172 ( -1.097 0.000 -1.683) 2.009 6.193 ( -3.615 0.000 -6.073) 7.067 6.230 ( -1.231 0.000 0.694) 1.413 6.255 ( -0.991 0.000 2.269) 2.476 6.265 ( 2.024 0.000 1.602) 2.581 6.297 ( 0.004 0.000 3.483) 3.483 6.387 ( -2.010 0.000 0.564) 2.087 6.408 ( 0.004 0.000 3.053) 3.053 6.494 ( 1.877 0.000 -2.285) 2.957 6.573 ( -4.166 0.000 -3.338) 5.338 6.584 ( -4.715 0.000 -3.106) 5.646 6.603 ( 0.702 0.000 -0.405) 0.811 6.719 ( -0.658 0.000 -1.352) 1.504 6.753 ( -1.049 0.000 -2.724) 2.919 6.798 ( -3.233 0.000 -5.169) 6.097 6.868 ( -2.149 0.000 -1.950) 2.902 7.010 ( -3.537 0.000 -6.401) 7.313 7.433 ( 3.186 0.000 10.254) 10.737 7.475 ( 6.553 0.000 3.080) 7.241 7.699 ( 4.415 0.000 2.343) 4.998 7.699 ( -1.718 0.000 -4.981) 5.268 7.803 ( 6.551 0.000 -0.772) 6.597 7.902 ( 30.372 0.000 -40.722) 50.801 7.994 ( -27.475 0.000 29.555) 40.353 8.128 ( 7.630 0.000 11.243) 13.588 8.323 ( -0.899 0.000 4.741) 4.825 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 12.440 0.000 21.285) 24.654 0.927 ( 13.460 0.000 18.797) 23.119 1.488 ( -8.622 0.000 -2.946) 9.111 1.648 ( 29.518 0.000 19.408) 35.326 1.706 ( -8.919 0.000 -17.746) 19.861 2.016 ( 3.360 0.000 -4.099) 5.300 2.047 ( 4.064 0.000 -2.453) 4.747 2.155 ( 1.993 0.000 0.236) 2.007 2.221 ( 7.034 0.000 -2.345) 7.414 2.271 ( 7.280 0.000 -2.112) 7.580 2.342 ( 3.098 0.000 -1.731) 3.549 2.350 ( 5.870 0.000 -5.123) 7.791 2.408 ( 6.452 0.000 -3.178) 7.193 2.440 ( 3.281 0.000 -1.913) 3.798 2.533 ( 6.614 0.000 8.840) 11.041 2.545 ( -1.585 0.000 -5.999) 6.205 2.647 ( 0.071 0.000 2.187) 2.188 2.657 ( -1.292 0.000 1.103) 1.699 2.694 ( 0.012 0.000 4.096) 4.096 2.700 ( -0.944 0.000 -2.525) 2.696 2.793 ( 3.045 0.000 2.415) 3.886 2.820 ( 2.437 0.000 3.087) 3.933 2.844 ( 0.399 0.000 -0.971) 1.050 2.854 ( 2.175 0.000 1.445) 2.611 2.936 ( -0.031 0.000 -1.037) 1.037 2.944 ( -0.015 0.000 0.761) 0.761 2.973 ( 1.376 0.000 -3.325) 3.598 3.025 ( 2.496 0.000 0.202) 2.504 3.055 ( -0.759 0.000 -5.162) 5.218 3.082 ( -0.023 0.000 -1.821) 1.821 3.208 ( 1.550 0.000 -1.637) 2.254 3.236 ( -1.261 0.000 -5.428) 5.573 3.253 ( -0.052 0.000 -1.174) 1.175 3.355 ( -2.078 0.000 -1.755) 2.720 3.496 ( 1.132 0.000 2.567) 2.806 3.531 ( -1.698 0.000 -0.572) 1.792 3.659 ( -0.758 0.000 3.120) 3.211 3.721 ( -5.851 0.000 -1.418) 6.020 3.750 ( -3.134 0.000 5.302) 6.159 3.767 ( -3.882 0.000 0.926) 3.991 4.204 ( -2.241 0.000 3.804) 4.415 4.287 ( -8.876 0.000 -3.374) 9.496 4.376 ( 0.783 0.000 4.353) 4.423 4.398 ( -3.588 0.000 2.335) 4.281 4.453 ( -0.655 0.000 -2.904) 2.977 4.520 ( 1.777 0.000 0.767) 1.936 4.584 ( -1.791 0.000 -3.214) 3.679 4.706 ( -0.510 0.000 -0.786) 0.937 4.838 ( -5.609 0.000 0.890) 5.679 4.868 ( -0.553 0.000 2.984) 3.035 5.037 ( -4.152 0.000 -2.526) 4.860 5.087 ( 1.758 0.000 1.544) 2.340 5.170 ( 1.598 0.000 3.333) 3.697 5.211 ( -2.954 0.000 -0.407) 2.982 5.267 ( -0.062 0.000 6.166) 6.167 5.340 ( -10.544 0.000 -4.742) 11.561 5.480 ( 0.733 0.000 -4.926) 4.981 5.533 ( -1.368 0.000 -2.827) 3.141 5.617 ( 7.236 0.000 7.791) 10.633 5.623 ( -1.736 0.000 -2.309) 2.889 5.680 ( -8.137 0.000 -6.089) 10.163 5.710 ( 0.307 0.000 0.300) 0.429 5.758 ( -2.534 0.000 -3.708) 4.491 5.792 ( -0.360 0.000 0.490) 0.608 5.827 ( 0.897 0.000 1.126) 1.440 5.903 ( 0.497 0.000 2.288) 2.341 5.943 ( -6.339 0.000 -5.028) 8.091 5.982 ( -3.809 0.000 -3.580) 5.227 6.020 ( 4.264 0.000 2.494) 4.940 6.093 ( 0.018 0.000 -0.377) 0.377 6.113 ( -1.595 0.000 0.215) 1.609 6.175 ( 1.651 0.000 1.439) 2.190 6.233 ( -0.440 0.000 1.352) 1.422 6.261 ( -1.129 0.000 0.701) 1.329 6.302 ( -0.591 0.000 0.194) 0.622 6.344 ( 0.588 0.000 1.604) 1.709 6.371 ( 3.074 0.000 4.619) 5.548 6.462 ( -1.540 0.000 -0.208) 1.554 6.512 ( -0.584 0.000 -0.240) 0.631 6.518 ( 0.989 0.000 5.667) 5.753 6.558 ( 1.902 0.000 1.347) 2.331 6.615 ( 3.517 0.000 0.158) 3.521 6.680 ( -2.050 0.000 -1.870) 2.775 6.718 ( 0.270 0.000 -2.093) 2.110 6.732 ( -1.014 0.000 -2.694) 2.878 6.813 ( -1.461 0.000 -2.530) 2.922 6.865 ( -3.944 0.000 -4.591) 6.052 7.507 ( -0.672 0.000 -4.773) 4.820 7.546 ( -4.829 0.000 -5.086) 7.013 7.587 ( -1.868 0.000 -1.043) 2.139 7.701 ( 4.825 0.000 -19.481) 20.070 7.757 ( 3.383 0.000 -2.252) 4.065 7.923 ( 8.812 0.000 3.184) 9.369 8.053 ( -3.587 0.000 9.699) 10.341 8.390 ( 3.083 0.000 2.839) 4.191 8.454 ( 12.539 0.000 13.862) 18.692 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 10.749 0.000 20.696) 23.321 1.304 ( -6.507 0.000 -1.592) 6.699 1.321 ( 9.994 0.000 14.396) 17.525 1.358 ( -8.314 0.000 -11.710) 14.361 1.897 ( -4.465 0.000 -10.924) 11.801 2.051 ( 1.061 0.000 -6.494) 6.580 2.110 ( -3.977 0.000 -12.333) 12.958 2.194 ( 3.328 0.000 0.329) 3.345 2.196 ( 11.559 0.000 2.782) 11.889 2.291 ( 2.228 0.000 -3.582) 4.218 2.388 ( 9.999 0.000 2.061) 10.210 2.417 ( 8.536 0.000 4.329) 9.571 2.498 ( 1.542 0.000 0.517) 1.626 2.514 ( 7.324 0.000 0.612) 7.349 2.554 ( 6.124 0.000 5.468) 8.210 2.629 ( 0.675 0.000 0.263) 0.725 2.640 ( 0.252 0.000 -0.116) 0.278 2.730 ( 1.194 0.000 1.651) 2.038 2.737 ( 0.975 0.000 2.112) 2.327 2.759 ( 2.439 0.000 7.880) 8.249 2.843 ( 0.173 0.000 1.713) 1.722 2.863 ( -2.769 0.000 -1.115) 2.985 2.880 ( 5.348 0.000 1.871) 5.666 2.901 ( -4.029 0.000 1.206) 4.205 2.924 ( 5.999 0.000 -2.449) 6.479 2.968 ( 3.536 0.000 0.565) 3.581 2.978 ( 5.606 0.000 -1.859) 5.906 3.027 ( -0.220 0.000 0.089) 0.237 3.063 ( 6.421 0.000 3.457) 7.293 3.112 ( 3.927 0.000 0.866) 4.021 3.168 ( -0.643 0.000 -3.306) 3.368 3.221 ( -2.572 0.000 -1.742) 3.107 3.235 ( 3.460 0.000 -0.804) 3.552 3.303 ( -0.099 0.000 -1.938) 1.941 3.424 ( -7.538 0.000 -5.490) 9.325 3.473 ( -7.001 0.000 -4.391) 8.264 3.564 ( -12.068 0.000 -1.216) 12.129 3.623 ( -1.687 0.000 0.311) 1.716 3.745 ( -3.789 0.000 1.746) 4.172 3.750 ( -1.277 0.000 0.120) 1.283 4.122 ( -7.923 0.000 -3.273) 8.573 4.279 ( 2.679 0.000 6.458) 6.992 4.350 ( -4.663 0.000 -0.928) 4.754 4.448 ( 0.380 0.000 2.725) 2.751 4.448 ( 2.527 0.000 2.262) 3.392 4.526 ( 0.324 0.000 -0.817) 0.879 4.564 ( 0.793 0.000 -0.245) 0.830 4.699 ( -0.996 0.000 1.320) 1.654 4.741 ( -6.503 0.000 -2.902) 7.121 4.870 ( -1.358 0.000 -1.491) 2.017 4.963 ( -2.901 0.000 0.093) 2.902 5.097 ( -0.861 0.000 0.193) 0.882 5.131 ( -8.470 0.000 -5.237) 9.958 5.170 ( -1.395 0.000 -0.361) 1.441 5.238 ( 1.453 0.000 2.741) 3.103 5.248 ( -4.294 0.000 -4.231) 6.028 5.428 ( -1.833 0.000 0.280) 1.854 5.461 ( -2.341 0.000 -3.590) 4.286 5.477 ( -4.252 0.000 -5.714) 7.122 5.609 ( 0.881 0.000 0.380) 0.959 5.658 ( -1.765 0.000 -2.789) 3.301 5.692 ( -3.837 0.000 -1.128) 3.999 5.797 ( -1.959 0.000 -3.870) 4.338 5.800 ( -0.122 0.000 1.024) 1.031 5.836 ( 5.393 0.000 4.951) 7.321 5.867 ( 0.940 0.000 1.210) 1.532 5.914 ( -0.327 0.000 0.654) 0.731 5.955 ( -0.768 0.000 -0.245) 0.806 6.060 ( 1.213 0.000 4.341) 4.508 6.125 ( 0.989 0.000 1.089) 1.471 6.156 ( 2.574 0.000 0.996) 2.760 6.219 ( 1.531 0.000 1.855) 2.405 6.245 ( -0.239 0.000 1.331) 1.353 6.256 ( -0.283 0.000 0.066) 0.291 6.284 ( -0.874 0.000 -0.691) 1.114 6.327 ( -1.830 0.000 0.457) 1.886 6.450 ( -1.336 0.000 0.415) 1.399 6.530 ( 1.953 0.000 4.528) 4.931 6.558 ( 0.135 0.000 1.481) 1.487 6.606 ( -0.028 0.000 0.380) 0.381 6.608 ( 3.652 0.000 3.511) 5.066 6.635 ( 4.214 0.000 5.164) 6.665 6.672 ( 1.332 0.000 0.973) 1.650 6.698 ( 0.899 0.000 -2.525) 2.680 6.729 ( 2.116 0.000 1.639) 2.676 6.783 ( 2.222 0.000 -1.373) 2.612 6.860 ( 4.414 0.000 6.054) 7.492 7.254 ( -10.341 0.000 -17.676) 20.479 7.358 ( -5.759 0.000 -10.525) 11.997 7.395 ( -7.785 0.000 -10.192) 12.825 7.723 ( 3.055 0.000 1.864) 3.578 7.765 ( 2.176 0.000 -2.032) 2.977 8.067 ( 5.399 0.000 2.653) 6.015 8.112 ( -0.131 0.000 3.161) 3.163 8.464 ( 2.735 0.000 1.767) 3.256 8.753 ( 8.535 0.000 8.343) 11.935 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 1.641 ( -0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.705 ( -0.000 0.000 -0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.269 ( -0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.512 ( -0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.612 ( -0.000 0.000 0.000) 0.000 2.620 ( -0.000 0.000 -0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.789 ( -0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 -0.000) 0.000 2.881 ( 0.000 0.000 -0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.018 ( -0.000 0.000 -0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.156 ( -0.000 0.000 -0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.240 ( -0.000 0.000 -0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 -0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.418 ( -0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.395 ( -0.000 0.000 -0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 -0.000) 0.000 4.535 ( -0.000 0.000 -0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.639 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 5.007 ( -0.000 0.000 -0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.384 ( 0.000 0.000 0.000) 0.000 5.413 ( -0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 -0.000) 0.000 5.807 ( 0.000 0.000 -0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 -0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.254 ( -0.000 0.000 -0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.576 ( -0.000 0.000 -0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 -0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 6.946 ( -0.000 0.000 -0.000) 0.000 7.063 ( 0.000 0.000 -0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 0.000) 0.000 7.767 ( 0.000 0.000 0.000) 0.000 8.123 ( 0.000 0.000 0.000) 0.000 8.130 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.869 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 0.000 21.003 0.000) 21.003 0.502 ( 0.000 26.817 0.000) 26.817 0.855 ( 0.000 43.432 0.000) 43.432 1.890 ( 0.000 -0.183 0.000) 0.183 1.909 ( 0.000 -2.988 0.000) 2.988 1.952 ( 0.000 4.084 0.000) 4.084 2.040 ( 0.000 5.478 0.000) 5.478 2.114 ( 0.000 5.250 0.000) 5.250 2.120 ( 0.000 0.015 0.000) 0.015 2.188 ( 0.000 -0.748 0.000) 0.748 2.262 ( 0.000 1.930 0.000) 1.930 2.346 ( 0.000 0.770 0.000) 0.770 2.459 ( 0.000 0.704 0.000) 0.704 2.464 ( 0.000 -1.508 0.000) 1.508 2.502 ( 0.000 2.620 0.000) 2.620 2.507 ( 0.000 -2.454 0.000) 2.454 2.570 ( 0.000 -1.161 0.000) 1.161 2.613 ( 0.000 2.542 0.000) 2.542 2.673 ( 0.000 1.581 0.000) 1.581 2.731 ( 0.000 0.218 0.000) 0.218 2.765 ( 0.000 2.718 0.000) 2.718 2.789 ( 0.000 0.774 0.000) 0.774 2.858 ( 0.000 -0.756 0.000) 0.756 2.863 ( 0.000 -3.171 0.000) 3.171 2.911 ( 0.000 -0.076 0.000) 0.076 2.924 ( 0.000 -5.427 0.000) 5.427 3.056 ( 0.000 -0.194 0.000) 0.194 3.070 ( 0.000 -1.534 0.000) 1.534 3.124 ( 0.000 -6.976 0.000) 6.976 3.175 ( 0.000 -4.398 0.000) 4.398 3.201 ( 0.000 -8.297 0.000) 8.297 3.273 ( 0.000 -1.666 0.000) 1.666 3.310 ( 0.000 1.051 0.000) 1.051 3.343 ( 0.000 2.110 0.000) 2.110 3.402 ( 0.000 -0.955 0.000) 0.955 3.486 ( 0.000 2.072 0.000) 2.072 3.516 ( 0.000 5.945 0.000) 5.945 3.648 ( 0.000 3.033 0.000) 3.033 3.851 ( 0.000 1.366 0.000) 1.366 3.855 ( 0.000 -1.740 0.000) 1.740 4.212 ( 0.000 5.036 0.000) 5.036 4.354 ( 0.000 -1.528 0.000) 1.528 4.425 ( 0.000 0.623 0.000) 0.623 4.481 ( 0.000 4.524 0.000) 4.524 4.593 ( 0.000 3.135 0.000) 3.135 4.612 ( 0.000 6.149 0.000) 6.149 4.736 ( 0.000 0.722 0.000) 0.722 4.791 ( 0.000 4.091 0.000) 4.091 4.823 ( 0.000 -0.295 0.000) 0.295 4.874 ( 0.000 7.738 0.000) 7.738 4.970 ( 0.000 2.819 0.000) 2.819 5.077 ( 0.000 0.629 0.000) 0.629 5.142 ( 0.000 2.667 0.000) 2.667 5.199 ( 0.000 -1.855 0.000) 1.855 5.277 ( 0.000 0.618 0.000) 0.618 5.316 ( 0.000 1.786 0.000) 1.786 5.503 ( 0.000 5.323 0.000) 5.323 5.523 ( 0.000 2.219 0.000) 2.219 5.540 ( 0.000 0.121 0.000) 0.121 5.560 ( 0.000 -0.431 0.000) 0.431 5.649 ( 0.000 0.790 0.000) 0.790 5.707 ( 0.000 -0.277 0.000) 0.277 5.781 ( 0.000 -1.727 0.000) 1.727 5.859 ( 0.000 -0.236 0.000) 0.236 5.897 ( 0.000 2.814 0.000) 2.814 5.916 ( 0.000 0.409 0.000) 0.409 5.957 ( 0.000 -1.175 0.000) 1.175 6.094 ( 0.000 0.453 0.000) 0.453 6.128 ( 0.000 -0.875 0.000) 0.875 6.167 ( 0.000 3.389 0.000) 3.389 6.178 ( 0.000 -0.989 0.000) 0.989 6.224 ( 0.000 1.853 0.000) 1.853 6.249 ( 0.000 1.267 0.000) 1.267 6.266 ( 0.000 1.880 0.000) 1.880 6.328 ( 0.000 7.136 0.000) 7.136 6.339 ( 0.000 -1.942 0.000) 1.942 6.392 ( 0.000 -5.151 0.000) 5.151 6.423 ( 0.000 1.211 0.000) 1.211 6.559 ( 0.000 1.268 0.000) 1.268 6.637 ( 0.000 1.998 0.000) 1.998 6.662 ( 0.000 3.389 0.000) 3.389 6.700 ( 0.000 3.841 0.000) 3.841 6.744 ( 0.000 0.115 0.000) 0.115 6.767 ( 0.000 -2.747 0.000) 2.747 6.916 ( 0.000 1.446 0.000) 1.446 6.970 ( 0.000 5.787 0.000) 5.787 7.111 ( 0.000 5.335 0.000) 5.335 7.211 ( 0.000 -9.611 0.000) 9.611 7.372 ( 0.000 -4.109 0.000) 4.109 7.575 ( 0.000 -10.661 0.000) 10.661 7.653 ( 0.000 0.007 0.000) 0.007 7.774 ( 0.000 -0.308 0.000) 0.308 7.938 ( 0.000 1.880 0.000) 1.880 7.939 ( 0.000 -9.039 0.000) 9.039 7.978 ( 0.000 -4.554 0.000) 4.554 8.244 ( 0.000 -4.305 0.000) 4.305 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 10.217 18.370 6.308) 21.946 0.719 ( 19.363 15.832 10.874) 27.273 1.167 ( 18.943 29.284 20.669) 40.541 1.788 ( -8.428 4.478 -4.485) 10.545 1.938 ( 2.543 -1.651 -3.830) 4.884 1.967 ( 4.637 2.781 -2.083) 5.794 2.046 ( 3.289 0.773 -0.784) 3.469 2.123 ( 4.151 2.736 -2.385) 5.514 2.153 ( 2.406 -0.092 0.511) 2.462 2.202 ( 4.996 -1.606 -3.410) 6.258 2.278 ( 3.590 1.855 -2.153) 4.579 2.336 ( 0.772 0.030 -4.369) 4.437 2.382 ( 1.036 -0.671 -2.843) 3.100 2.457 ( 0.452 -0.697 -3.059) 3.170 2.483 ( 0.053 3.418 1.793) 3.860 2.582 ( 1.249 1.280 4.183) 4.549 2.610 ( 1.713 1.025 3.290) 3.848 2.649 ( 2.372 1.220 1.236) 2.940 2.700 ( 1.484 1.001 1.577) 2.386 2.719 ( -1.238 1.272 0.067) 1.776 2.770 ( -1.005 1.620 1.276) 2.294 2.786 ( 1.065 0.450 0.183) 1.170 2.849 ( -0.131 -0.216 -0.655) 0.702 2.870 ( 0.686 -4.003 -0.066) 4.062 2.904 ( -0.947 -3.746 -2.994) 4.888 2.934 ( 2.756 0.122 0.160) 2.764 2.991 ( -0.622 -0.516 -3.214) 3.315 3.041 ( -1.054 0.383 -4.311) 4.454 3.094 ( -1.657 -3.289 -2.304) 4.344 3.129 ( -0.577 -7.653 -4.537) 8.915 3.178 ( -2.759 2.910 -6.584) 7.709 3.232 ( -0.878 -2.002 2.056) 3.001 3.324 ( 0.093 -1.792 3.543) 3.971 3.350 ( -0.361 -1.908 -0.791) 2.096 3.433 ( 1.336 0.955 0.554) 1.732 3.527 ( 0.578 1.725 4.388) 4.750 3.560 ( 1.286 0.584 5.089) 5.282 3.689 ( 0.380 1.294 4.279) 4.486 3.787 ( -2.562 0.231 -3.216) 4.118 3.847 ( -3.344 0.294 0.067) 3.358 4.228 ( -1.452 3.686 3.829) 5.509 4.387 ( 0.848 -1.830 0.666) 2.124 4.412 ( 0.304 2.871 0.603) 2.949 4.451 ( -2.671 6.727 0.705) 7.272 4.521 ( -7.241 4.702 -2.502) 8.989 4.595 ( -1.281 4.084 -0.591) 4.321 4.702 ( -1.503 1.194 -5.826) 6.134 4.738 ( -0.637 2.748 -0.334) 2.840 4.859 ( -0.506 2.883 1.962) 3.524 4.896 ( -3.082 3.311 4.301) 6.242 5.010 ( 0.816 0.245 2.676) 2.808 5.080 ( -0.371 -0.284 0.399) 0.614 5.158 ( 0.412 2.615 1.826) 3.216 5.206 ( 0.757 0.683 1.325) 1.672 5.243 ( -2.515 0.153 1.175) 2.780 5.358 ( 0.281 -3.931 2.046) 4.441 5.510 ( -0.783 0.160 -0.418) 0.902 5.541 ( 1.299 1.209 0.233) 1.790 5.568 ( 1.292 4.064 1.634) 4.566 5.611 ( 1.133 2.202 0.732) 2.582 5.718 ( 6.782 -0.938 4.983) 8.468 5.738 ( 1.439 -0.780 0.548) 1.726 5.769 ( -1.062 -2.783 -0.554) 3.030 5.849 ( -0.677 1.169 -1.446) 1.979 5.872 ( -1.053 2.577 -2.105) 3.490 5.923 ( 2.096 2.951 -0.104) 3.621 5.955 ( -0.628 -0.818 -0.232) 1.057 6.003 ( -4.868 0.032 -2.883) 5.657 6.106 ( -0.944 2.081 -0.220) 2.296 6.152 ( -3.793 0.962 0.139) 3.916 6.166 ( -1.774 -0.659 -1.294) 2.293 6.225 ( -5.228 0.384 -4.055) 6.628 6.244 ( 0.372 2.223 1.392) 2.649 6.272 ( -1.469 0.708 -0.325) 1.663 6.331 ( 0.733 1.940 0.341) 2.102 6.344 ( -0.208 3.639 0.846) 3.742 6.395 ( 3.450 0.990 5.379) 6.466 6.434 ( 0.338 3.588 -0.061) 3.605 6.543 ( 0.034 3.222 -1.953) 3.767 6.578 ( -3.588 2.282 -2.278) 4.824 6.590 ( -5.337 1.102 -4.169) 6.861 6.647 ( -2.669 3.651 -2.868) 5.355 6.686 ( -2.291 -2.019 -2.969) 4.259 6.741 ( -0.795 -0.559 -1.579) 1.854 6.850 ( -1.686 1.794 -2.943) 3.837 6.891 ( -2.917 4.163 -4.080) 6.518 7.047 ( -4.413 3.534 -5.314) 7.759 7.329 ( 4.291 -7.420 8.635) 12.167 7.473 ( 6.388 -3.546 1.761) 7.515 7.624 ( 1.408 -7.783 -1.542) 8.058 7.699 ( 2.673 -1.333 3.364) 4.499 7.787 ( 5.741 -0.566 -2.450) 6.268 7.879 ( -9.393 -9.396 2.502) 13.519 7.944 ( 9.886 2.200 -10.470) 14.567 8.061 ( 6.373 -6.820 9.013) 12.976 8.279 ( 2.667 -3.718 2.321) 5.131 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 12.641 8.709 14.626) 21.203 1.137 ( 15.447 14.772 15.533) 26.421 1.568 ( -8.033 6.053 -8.211) 12.984 1.745 ( 20.168 10.137 12.546) 25.824 1.796 ( -5.364 9.299 -4.498) 11.639 2.007 ( 3.376 1.152 -3.223) 4.808 2.116 ( 4.783 1.721 -0.326) 5.094 2.165 ( 5.845 0.186 -1.303) 5.991 2.173 ( 2.350 -2.882 -4.662) 5.964 2.262 ( 6.397 -0.341 -4.111) 7.611 2.278 ( 6.782 -2.430 1.628) 7.386 2.356 ( 6.811 -2.198 -3.893) 8.147 2.400 ( 3.980 0.255 -1.189) 4.161 2.425 ( 3.429 0.997 -2.189) 4.189 2.572 ( 4.403 2.779 3.391) 6.214 2.601 ( -1.936 2.604 -2.943) 4.381 2.656 ( 1.273 2.284 0.720) 2.713 2.671 ( 0.179 0.668 -1.008) 1.223 2.704 ( -0.111 -0.082 -1.784) 1.790 2.721 ( -1.610 2.663 3.673) 4.814 2.807 ( 1.478 -0.393 2.250) 2.720 2.825 ( 3.402 2.811 3.540) 5.657 2.844 ( 0.973 0.119 0.601) 1.150 2.878 ( 0.249 -4.903 -0.918) 4.994 2.892 ( 3.791 1.677 1.753) 4.501 2.941 ( 1.778 -1.802 -3.543) 4.355 2.969 ( -1.179 1.543 -1.119) 2.241 3.014 ( 0.001 -2.215 -2.839) 3.601 3.036 ( 2.728 0.194 0.629) 2.806 3.094 ( -0.050 -4.072 -1.480) 4.333 3.110 ( -0.111 -0.482 -1.852) 1.917 3.229 ( -1.269 -2.070 0.303) 2.447 3.262 ( -2.940 1.141 -4.511) 5.504 3.338 ( -2.624 -0.931 0.403) 2.814 3.511 ( -0.098 -2.388 1.591) 2.871 3.536 ( -1.201 0.743 0.286) 1.441 3.623 ( -0.468 -2.047 2.309) 3.121 3.696 ( -5.345 -1.108 -2.477) 5.995 3.751 ( -1.169 -0.362 4.599) 4.759 3.780 ( -3.946 0.233 -0.594) 3.998 4.253 ( -3.078 5.014 1.900) 6.183 4.318 ( -6.795 0.823 0.852) 6.897 4.396 ( -4.287 4.973 0.968) 6.637 4.451 ( 1.442 2.981 0.640) 3.373 4.504 ( 1.104 6.117 3.085) 6.939 4.537 ( -2.646 2.554 -4.121) 5.523 4.637 ( 0.273 4.100 -0.469) 4.135 4.725 ( -0.912 2.133 0.018) 2.320 4.854 ( -4.122 1.299 0.452) 4.345 4.893 ( -2.166 3.057 2.924) 4.753 5.005 ( -3.126 -2.701 -0.393) 4.150 5.099 ( 0.978 0.937 1.025) 1.698 5.175 ( -2.250 -0.843 -0.034) 2.403 5.210 ( -0.209 0.358 3.144) 3.171 5.258 ( -0.694 -0.716 1.965) 2.203 5.301 ( -8.140 -3.180 -3.192) 9.304 5.497 ( 1.543 0.966 -2.217) 2.869 5.521 ( -1.008 -0.460 -3.304) 3.485 5.622 ( -0.373 2.249 -0.474) 2.328 5.661 ( 0.135 -0.363 -1.200) 1.261 5.712 ( -0.589 -0.361 -1.113) 1.309 5.732 ( -2.127 1.419 -1.249) 2.846 5.763 ( 1.082 5.489 3.173) 6.432 5.838 ( -0.798 4.656 0.159) 4.727 5.861 ( -4.939 0.957 -2.064) 5.438 5.906 ( 1.204 0.896 0.487) 1.578 5.931 ( -3.497 0.170 -2.674) 4.405 5.980 ( 2.513 -0.518 1.132) 2.805 6.030 ( -4.729 2.702 -3.287) 6.362 6.079 ( -1.101 -0.064 -1.192) 1.623 6.152 ( 0.487 -0.001 3.083) 3.121 6.173 ( 0.646 1.283 0.645) 1.574 6.258 ( -0.802 0.532 0.767) 1.230 6.279 ( 0.379 4.088 1.861) 4.508 6.316 ( -0.808 1.391 -1.254) 2.039 6.376 ( 1.730 2.876 1.592) 3.714 6.434 ( 0.760 6.793 2.435) 7.256 6.485 ( -0.323 1.947 -0.055) 1.974 6.522 ( -0.983 0.769 -0.284) 1.280 6.554 ( 1.299 3.914 5.260) 6.684 6.563 ( 2.098 0.322 0.878) 2.296 6.602 ( 0.804 -1.790 -0.995) 2.200 6.638 ( 0.478 -0.592 -0.665) 1.010 6.714 ( -0.279 0.501 -1.108) 1.247 6.799 ( -1.923 3.782 -4.336) 6.067 6.830 ( 0.857 2.098 -0.851) 2.420 6.908 ( -5.046 4.117 -3.803) 7.541 7.438 ( -1.965 -7.562 1.805) 8.019 7.493 ( -3.954 -4.757 -4.147) 7.447 7.574 ( -1.380 -2.914 -4.530) 5.560 7.689 ( 4.148 -1.327 -12.206) 12.960 7.738 ( 1.645 -2.488 -6.801) 7.426 7.897 ( 7.429 -3.201 1.502) 8.227 8.007 ( 0.695 -2.715 7.253) 7.775 8.322 ( 7.466 -8.120 6.785) 12.950 8.389 ( 9.059 -4.984 7.474) 12.758 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 12.226 2.748 17.011) 21.128 1.356 ( -4.059 6.249 -8.583) 11.366 1.525 ( 5.188 14.525 9.512) 18.121 1.550 ( -3.771 17.047 1.823) 17.554 1.886 ( -5.663 0.058 -11.774) 13.066 2.135 ( 1.395 3.687 -2.167) 4.499 2.165 ( 3.252 2.082 -3.523) 5.227 2.172 ( 5.143 0.229 -0.628) 5.186 2.211 ( 3.865 4.029 -3.380) 6.527 2.292 ( 3.216 0.205 -2.865) 4.312 2.322 ( 10.027 -5.536 0.720) 11.477 2.444 ( 2.454 1.499 0.738) 2.969 2.466 ( 6.246 0.507 1.433) 6.428 2.546 ( 3.316 -0.551 0.509) 3.399 2.569 ( 6.943 2.379 4.635) 8.680 2.592 ( 0.315 -1.238 -1.475) 1.952 2.656 ( 3.016 -1.404 1.948) 3.855 2.709 ( -1.392 0.504 0.722) 1.647 2.730 ( 3.496 -1.952 2.570) 4.758 2.774 ( 2.760 1.724 3.452) 4.744 2.826 ( -1.420 -0.536 0.555) 1.616 2.851 ( -1.572 -0.323 1.268) 2.045 2.886 ( -0.134 -2.044 1.422) 2.494 2.906 ( 4.014 -3.453 -3.643) 6.427 2.942 ( 1.220 0.983 -0.714) 1.722 2.960 ( 2.398 -0.484 0.586) 2.516 2.984 ( 6.952 4.253 3.256) 8.776 3.036 ( 4.544 -1.638 1.080) 4.950 3.076 ( 0.188 3.487 -1.992) 4.020 3.085 ( 1.396 -4.411 -0.208) 4.632 3.135 ( 3.771 1.072 1.155) 4.087 3.192 ( -1.115 -0.394 0.023) 1.183 3.206 ( -2.331 -3.441 -0.356) 4.171 3.282 ( -3.721 -2.164 -0.468) 4.330 3.401 ( -7.804 -1.808 -5.034) 9.461 3.481 ( -7.356 -0.910 -3.286) 8.108 3.566 ( -5.761 2.475 -3.535) 7.198 3.646 ( 0.154 -1.223 1.618) 2.034 3.744 ( -1.360 -0.269 -0.162) 1.395 3.767 ( -3.083 2.213 1.722) 4.168 4.175 ( -6.632 2.556 1.063) 7.187 4.262 ( -1.939 4.242 -1.943) 5.053 4.430 ( -2.914 3.625 -1.370) 4.848 4.438 ( 0.923 1.518 5.589) 5.864 4.488 ( 1.905 2.509 1.169) 3.360 4.555 ( 1.196 5.194 1.105) 5.443 4.671 ( 1.282 8.000 1.164) 8.185 4.712 ( -1.524 1.272 0.361) 2.018 4.769 ( -5.571 2.470 -1.990) 6.411 4.893 ( -0.599 2.622 -0.988) 2.865 4.957 ( -3.295 -0.283 0.911) 3.430 5.101 ( -0.949 0.067 -0.209) 0.974 5.122 ( -7.292 -1.235 -4.378) 8.594 5.150 ( -0.901 -0.936 0.767) 1.508 5.240 ( -3.169 -0.853 -2.036) 3.862 5.258 ( 0.899 1.001 2.458) 2.802 5.434 ( -2.061 1.598 -3.297) 4.204 5.485 ( -1.832 0.928 -3.667) 4.203 5.524 ( -2.125 2.416 -1.829) 3.701 5.630 ( -0.237 3.185 -0.532) 3.238 5.653 ( -1.775 -0.538 -3.421) 3.892 5.692 ( -4.822 0.224 -2.058) 5.248 5.768 ( -1.632 -1.348 -1.718) 2.727 5.828 ( 0.312 1.405 -0.303) 1.471 5.859 ( 0.010 1.281 0.917) 1.575 5.890 ( 1.867 2.240 0.919) 3.057 5.938 ( 1.081 2.666 1.557) 3.271 5.970 ( -1.864 1.698 -1.235) 2.808 6.031 ( 2.006 -1.553 3.852) 4.612 6.109 ( 2.402 0.629 2.818) 3.756 6.180 ( -0.149 -0.687 -0.132) 0.715 6.202 ( 0.862 -0.602 1.496) 1.829 6.261 ( -0.590 0.491 1.469) 1.657 6.283 ( -0.784 1.179 -0.997) 1.732 6.293 ( -0.044 3.452 0.180) 3.457 6.383 ( -1.934 5.005 0.283) 5.373 6.501 ( -1.371 3.104 1.424) 3.680 6.516 ( 1.744 -0.814 0.796) 2.082 6.528 ( 0.472 0.453 2.169) 2.265 6.573 ( 0.284 -0.681 0.883) 1.151 6.640 ( 3.220 0.401 2.863) 4.328 6.662 ( 0.635 -1.321 -1.290) 1.952 6.679 ( 7.719 4.136 7.381) 11.452 6.716 ( -1.013 3.863 -2.119) 4.521 6.783 ( 4.983 2.750 3.482) 6.673 6.824 ( -1.763 4.991 -0.723) 5.343 6.895 ( 4.994 3.261 5.542) 8.142 7.247 ( -10.462 -1.974 -14.131) 17.693 7.324 ( -5.525 -2.844 -8.499) 10.529 7.411 ( -6.340 0.733 -10.333) 12.145 7.697 ( 3.351 -2.076 0.619) 3.990 7.717 ( 2.002 -4.924 -2.339) 5.808 7.978 ( 2.961 -7.327 0.183) 7.904 8.121 ( 2.905 -0.367 5.035) 5.825 8.416 ( 3.031 -4.763 0.906) 5.718 8.646 ( 8.278 -10.865 7.324) 15.498 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 0.000 8.259 -0.000) 8.259 1.429 ( -0.000 19.111 -0.000) 19.111 1.583 ( -0.000 -0.565 -0.000) 0.565 1.611 ( 0.000 0.462 0.000) 0.462 1.877 ( -0.000 11.655 -0.000) 11.655 1.895 ( 0.000 13.658 0.000) 13.658 2.145 ( 0.000 5.714 0.000) 5.714 2.235 ( 0.000 1.065 0.000) 1.065 2.258 ( -0.000 0.676 -0.000) 0.676 2.279 ( 0.000 1.089 0.000) 1.089 2.406 ( -0.000 -8.528 0.000) 8.528 2.468 ( -0.000 -2.848 -0.000) 2.848 2.534 ( 0.000 -2.479 0.000) 2.479 2.575 ( 0.000 0.854 0.000) 0.854 2.577 ( -0.000 -3.205 -0.000) 3.205 2.653 ( 0.000 -2.634 0.000) 2.634 2.688 ( 0.000 3.757 0.000) 3.757 2.709 ( -0.000 1.097 -0.000) 1.097 2.786 ( -0.000 -0.384 -0.000) 0.384 2.826 ( -0.000 0.559 -0.000) 0.559 2.829 ( -0.000 2.175 0.000) 2.175 2.872 ( -0.000 -6.162 0.000) 6.162 2.901 ( 0.000 1.386 -0.000) 1.386 2.938 ( -0.000 2.625 -0.000) 2.625 2.980 ( 0.000 -1.376 0.000) 1.376 3.008 ( -0.000 -5.054 -0.000) 5.054 3.020 ( -0.000 -0.411 -0.000) 0.411 3.037 ( 0.000 -6.982 0.000) 6.982 3.064 ( -0.000 2.523 0.000) 2.523 3.136 ( 0.000 -0.059 0.000) 0.059 3.157 ( -0.000 -4.198 0.000) 4.198 3.193 ( 0.000 -2.607 0.000) 2.607 3.196 ( -0.000 -2.103 -0.000) 2.103 3.268 ( -0.000 2.146 -0.000) 2.146 3.321 ( -0.000 1.940 -0.000) 1.940 3.327 ( 0.000 0.792 0.000) 0.792 3.469 ( 0.000 5.100 0.000) 5.100 3.672 ( -0.000 -2.912 0.000) 2.912 3.732 ( 0.000 -0.661 -0.000) 0.661 3.737 ( 0.000 5.952 0.000) 5.952 4.129 ( 0.000 7.843 -0.000) 7.843 4.242 ( 0.000 -1.833 0.000) 1.833 4.390 ( 0.000 1.055 -0.000) 1.055 4.520 ( -0.000 4.975 -0.000) 4.975 4.530 ( -0.000 2.362 -0.000) 2.362 4.562 ( 0.000 3.860 0.000) 3.860 4.659 ( 0.000 2.716 0.000) 2.716 4.671 ( 0.000 6.748 0.000) 6.748 4.747 ( 0.000 3.824 0.000) 3.824 4.858 ( 0.000 4.354 0.000) 4.354 4.958 ( 0.000 -1.278 0.000) 1.278 5.023 ( -0.000 1.006 -0.000) 1.006 5.098 ( 0.000 0.657 0.000) 0.657 5.160 ( 0.000 -0.549 0.000) 0.549 5.184 ( 0.000 1.531 0.000) 1.531 5.281 ( 0.000 0.735 0.000) 0.735 5.381 ( -0.000 1.195 -0.000) 1.195 5.451 ( 0.000 0.066 0.000) 0.066 5.502 ( 0.000 5.708 0.000) 5.708 5.619 ( 0.000 -1.128 -0.000) 1.128 5.620 ( -0.000 1.944 0.000) 1.944 5.661 ( 0.000 -3.769 0.000) 3.769 5.725 ( -0.000 1.561 -0.000) 1.561 5.834 ( -0.000 1.066 -0.000) 1.066 5.864 ( 0.000 -0.733 0.000) 0.733 5.924 ( -0.000 1.820 0.000) 1.820 5.934 ( 0.000 -0.026 0.000) 0.026 5.946 ( 0.000 2.619 0.000) 2.619 6.084 ( 0.000 -1.239 0.000) 1.239 6.165 ( -0.000 -0.858 -0.000) 0.858 6.168 ( 0.000 0.243 0.000) 0.243 6.213 ( 0.000 -2.336 0.000) 2.336 6.263 ( -0.000 1.029 0.000) 1.029 6.287 ( 0.000 -0.607 0.000) 0.607 6.290 ( 0.000 4.005 -0.000) 4.005 6.365 ( 0.000 5.272 -0.000) 5.272 6.502 ( 0.000 -2.673 -0.000) 2.673 6.509 ( -0.000 4.932 0.000) 4.932 6.558 ( 0.000 -0.366 0.000) 0.366 6.600 ( 0.000 -0.048 0.000) 0.048 6.657 ( 0.000 -0.791 -0.000) 0.791 6.667 ( 0.000 2.391 0.000) 2.391 6.702 ( 0.000 1.053 0.000) 1.053 6.803 ( 0.000 4.264 0.000) 4.264 6.847 ( 0.000 4.193 0.000) 4.193 6.906 ( 0.000 0.737 0.000) 0.737 6.983 ( -0.000 4.109 -0.000) 4.109 7.101 ( -0.000 4.205 -0.000) 4.205 7.133 ( 0.000 -0.796 0.000) 0.796 7.230 ( 0.000 0.249 0.000) 0.249 7.716 ( 0.000 -4.865 0.000) 4.865 7.730 ( 0.000 -3.081 -0.000) 3.081 7.997 ( 0.000 -8.504 0.000) 8.504 8.178 ( 0.000 0.973 -0.000) 0.973 8.442 ( 0.000 -5.414 0.000) 5.414 8.754 ( 0.000 -11.798 0.000) 11.798 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.000 21.050 0.000) 21.050 0.999 ( 0.000 26.249 0.000) 26.249 1.565 ( 0.000 30.117 0.000) 30.117 1.765 ( 0.000 -11.384 0.000) 11.384 1.914 ( 0.000 2.719 0.000) 2.719 2.012 ( 0.000 1.840 0.000) 1.840 2.099 ( 0.000 2.119 0.000) 2.119 2.127 ( 0.000 1.775 0.000) 1.775 2.204 ( 0.000 -0.006 0.000) 0.006 2.236 ( 0.000 4.064 0.000) 4.064 2.327 ( 0.000 0.941 0.000) 0.941 2.367 ( 0.000 0.537 0.000) 0.537 2.445 ( 0.000 -0.640 0.000) 0.640 2.458 ( 0.000 -0.861 0.000) 0.861 2.465 ( 0.000 0.559 0.000) 0.559 2.514 ( 0.000 1.469 0.000) 1.469 2.550 ( 0.000 -1.198 0.000) 1.198 2.676 ( 0.000 3.170 0.000) 3.170 2.697 ( 0.000 -0.621 0.000) 0.621 2.732 ( 0.000 -0.097 0.000) 0.097 2.766 ( 0.000 -2.284 0.000) 2.284 2.786 ( 0.000 -0.451 0.000) 0.451 2.819 ( 0.000 -0.221 0.000) 0.221 2.845 ( 0.000 -0.327 0.000) 0.327 2.861 ( 0.000 0.394 0.000) 0.394 2.902 ( 0.000 -0.746 0.000) 0.746 2.996 ( 0.000 -5.923 0.000) 5.923 2.997 ( 0.000 -6.845 0.000) 6.845 3.037 ( 0.000 0.012 0.000) 0.012 3.098 ( 0.000 -0.818 0.000) 0.818 3.157 ( 0.000 0.591 0.000) 0.591 3.257 ( 0.000 -1.347 0.000) 1.347 3.325 ( 0.000 0.982 0.000) 0.982 3.373 ( 0.000 -1.540 0.000) 1.540 3.429 ( 0.000 5.271 0.000) 5.271 3.534 ( 0.000 3.515 0.000) 3.515 3.571 ( 0.000 0.296 0.000) 0.296 3.695 ( 0.000 1.854 0.000) 1.854 3.813 ( 0.000 -2.668 0.000) 2.668 3.837 ( 0.000 -2.382 0.000) 2.382 4.314 ( 0.000 5.668 0.000) 5.668 4.378 ( 0.000 3.292 0.000) 3.292 4.441 ( 0.000 1.072 0.000) 1.072 4.573 ( 0.000 4.248 0.000) 4.248 4.627 ( 0.000 0.604 0.000) 0.604 4.674 ( 0.000 -5.571 0.000) 5.571 4.753 ( 0.000 8.538 0.000) 8.538 4.862 ( 0.000 3.042 0.000) 3.042 4.916 ( 0.000 8.452 0.000) 8.452 5.043 ( 0.000 3.289 0.000) 3.289 5.047 ( 0.000 9.560 0.000) 9.560 5.099 ( 0.000 1.935 0.000) 1.935 5.142 ( 0.000 -3.806 0.000) 3.806 5.190 ( 0.000 2.145 0.000) 2.145 5.280 ( 0.000 -0.442 0.000) 0.442 5.346 ( 0.000 0.652 0.000) 0.652 5.532 ( 0.000 -1.752 0.000) 1.752 5.561 ( 0.000 1.693 0.000) 1.693 5.570 ( 0.000 1.949 0.000) 1.949 5.610 ( 0.000 4.270 0.000) 4.270 5.657 ( 0.000 -3.518 0.000) 3.518 5.663 ( 0.000 0.554 0.000) 0.554 5.815 ( 0.000 4.968 0.000) 4.968 5.868 ( 0.000 0.904 0.000) 0.904 5.915 ( 0.000 -1.305 0.000) 1.305 5.930 ( 0.000 1.654 0.000) 1.654 5.972 ( 0.000 2.952 0.000) 2.952 6.078 ( 0.000 -0.230 0.000) 0.230 6.134 ( 0.000 -2.557 0.000) 2.557 6.141 ( 0.000 1.329 0.000) 1.329 6.227 ( 0.000 -0.446 0.000) 0.446 6.265 ( 0.000 -2.610 0.000) 2.610 6.274 ( 0.000 2.419 0.000) 2.419 6.302 ( 0.000 5.276 0.000) 5.276 6.318 ( 0.000 -0.586 0.000) 0.586 6.358 ( 0.000 4.291 0.000) 4.291 6.466 ( 0.000 4.201 0.000) 4.201 6.492 ( 0.000 9.237 0.000) 9.237 6.561 ( 0.000 -1.878 0.000) 1.878 6.646 ( 0.000 1.595 0.000) 1.595 6.679 ( 0.000 -5.395 0.000) 5.395 6.778 ( 0.000 7.635 0.000) 7.635 6.784 ( 0.000 1.898 0.000) 1.898 6.797 ( 0.000 6.853 0.000) 6.853 6.980 ( 0.000 5.704 0.000) 5.704 6.998 ( 0.000 -8.618 0.000) 8.618 7.136 ( 0.000 6.967 0.000) 6.967 7.227 ( 0.000 -9.825 0.000) 9.825 7.241 ( 0.000 6.131 0.000) 6.131 7.334 ( 0.000 -12.270 0.000) 12.270 7.591 ( 0.000 -7.324 0.000) 7.324 7.699 ( 0.000 -15.958 0.000) 15.958 7.720 ( 0.000 -5.227 0.000) 5.227 7.864 ( 0.000 -7.726 0.000) 7.726 7.993 ( 0.000 3.641 0.000) 3.641 8.163 ( 0.000 -3.597 0.000) 3.597 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 13.746 20.306 1.884) 24.593 1.053 ( 9.941 20.378 2.920) 22.861 1.704 ( 7.568 22.556 9.966) 25.795 1.770 ( 4.099 -6.859 -6.106) 10.056 1.918 ( -0.937 0.613 2.703) 2.926 2.033 ( 0.351 0.269 -4.275) 4.298 2.057 ( 4.761 3.111 -0.611) 5.720 2.123 ( 0.144 0.683 -2.294) 2.398 2.186 ( 0.145 2.079 -2.929) 3.594 2.231 ( 4.065 1.009 -4.847) 6.406 2.278 ( 3.598 -1.376 -3.747) 5.374 2.356 ( -1.193 -0.612 -4.444) 4.642 2.386 ( 1.909 0.976 -3.082) 3.755 2.449 ( -1.199 -0.549 -0.616) 1.455 2.517 ( 2.663 1.537 2.339) 3.863 2.588 ( 2.731 1.332 4.508) 5.437 2.646 ( 5.394 3.908 2.683) 7.181 2.683 ( 0.811 -0.289 0.378) 0.940 2.729 ( -0.639 -0.009 2.583) 2.661 2.740 ( 1.614 2.219 3.073) 4.120 2.764 ( 1.162 -0.799 -0.210) 1.426 2.788 ( -0.719 -0.266 1.004) 1.263 2.811 ( -0.556 -0.363 -0.196) 0.692 2.832 ( -0.881 -2.160 -0.238) 2.345 2.870 ( 0.276 1.309 1.232) 1.818 2.928 ( 2.759 -0.550 1.087) 3.016 2.965 ( 1.150 -3.084 -3.818) 5.041 3.008 ( -0.832 -1.596 0.059) 1.801 3.028 ( -0.076 -2.746 1.892) 3.336 3.102 ( -2.437 2.082 -3.924) 5.067 3.173 ( 0.369 -2.610 3.994) 4.785 3.252 ( -1.176 3.943 -5.807) 7.117 3.299 ( 0.203 -1.563 2.438) 2.903 3.330 ( -0.298 0.367 0.201) 0.513 3.470 ( -2.511 1.149 -2.067) 3.450 3.524 ( 0.841 1.106 4.492) 4.702 3.567 ( -1.726 -1.173 -0.222) 2.099 3.713 ( 0.074 0.980 1.971) 2.202 3.772 ( -2.298 -1.555 -2.881) 4.000 3.822 ( -1.991 -2.412 -0.768) 3.220 4.305 ( -3.349 4.049 4.223) 6.741 4.418 ( 2.873 4.284 -0.926) 5.241 4.448 ( -0.058 0.822 1.620) 1.817 4.576 ( -0.545 5.085 2.208) 5.571 4.615 ( -6.416 3.803 0.167) 7.461 4.661 ( 0.648 0.828 -0.408) 1.127 4.690 ( -2.084 2.236 -1.485) 3.398 4.845 ( -3.040 7.023 -0.802) 7.695 4.917 ( -1.492 3.938 -0.142) 4.214 4.995 ( -1.984 4.987 0.685) 5.410 5.036 ( -5.319 1.307 -2.967) 6.229 5.090 ( -0.044 2.647 2.345) 3.537 5.153 ( 1.053 -3.403 0.766) 3.643 5.212 ( -3.091 -0.549 -0.491) 3.177 5.237 ( 0.376 0.768 1.224) 1.493 5.324 ( -2.228 -1.527 -0.422) 2.733 5.508 ( -0.378 -0.349 -1.197) 1.302 5.572 ( -0.019 2.605 -0.334) 2.627 5.596 ( -0.958 -1.594 0.806) 2.026 5.665 ( 0.997 -0.426 -0.334) 1.134 5.697 ( 3.122 -1.704 0.871) 3.662 5.709 ( 6.863 1.131 4.827) 8.467 5.784 ( -2.453 4.013 0.024) 4.703 5.891 ( 1.369 3.575 0.648) 3.882 5.918 ( -0.349 -1.538 -0.294) 1.605 5.932 ( 1.520 2.301 -0.123) 2.761 5.989 ( -0.580 1.780 0.307) 1.897 6.019 ( -2.166 3.012 -0.107) 3.712 6.127 ( -3.709 -2.195 -0.111) 4.311 6.155 ( 0.099 -0.056 -1.371) 1.376 6.187 ( -0.504 3.667 -0.692) 3.766 6.231 ( -4.495 0.044 -1.257) 4.668 6.265 ( -1.092 1.040 0.688) 1.658 6.327 ( 1.171 3.999 -0.152) 4.170 6.343 ( 1.559 1.047 1.901) 2.672 6.385 ( 3.997 3.060 0.846) 5.104 6.497 ( 2.134 3.873 1.344) 4.622 6.523 ( 0.988 4.376 1.803) 4.835 6.553 ( -1.509 3.895 0.404) 4.196 6.601 ( -1.703 -2.191 -1.716) 3.263 6.653 ( -2.550 3.990 -3.090) 5.654 6.691 ( -3.191 5.983 -3.843) 7.794 6.739 ( -0.746 0.706 -1.170) 1.557 6.760 ( -6.159 6.475 -3.935) 9.764 6.871 ( -0.093 0.788 -1.571) 1.760 7.002 ( -5.530 7.319 -5.103) 10.496 7.097 ( -6.246 -0.570 -2.208) 6.649 7.192 ( 3.159 -6.295 6.506) 9.588 7.362 ( 8.040 -8.026 1.090) 11.413 7.462 ( 4.924 -6.382 0.223) 8.064 7.612 ( -2.280 -9.244 2.109) 9.752 7.644 ( -1.199 -13.127 -0.463) 13.189 7.747 ( 4.214 -4.919 1.577) 6.667 7.896 ( 4.346 -9.339 2.192) 10.532 8.014 ( 6.980 4.217 -5.984) 10.115 8.212 ( 4.762 -3.082 1.731) 5.930 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 10.993 18.847 5.092) 22.405 1.381 ( 19.297 11.217 10.657) 24.734 1.658 ( -1.862 3.545 -10.831) 11.548 1.932 ( 10.572 4.801 4.400) 12.417 1.942 ( -5.503 3.366 4.922) 8.114 2.057 ( 5.661 -1.462 -3.038) 6.589 2.101 ( 0.533 3.344 -4.268) 5.448 2.109 ( 3.911 -2.146 -2.788) 5.261 2.155 ( 6.334 -1.079 -3.522) 7.327 2.258 ( 7.532 -0.609 -3.518) 8.335 2.301 ( 3.644 1.485 1.794) 4.325 2.333 ( 3.321 0.211 -1.113) 3.509 2.420 ( 5.318 -0.766 -0.181) 5.376 2.464 ( 5.328 5.845 1.227) 8.003 2.563 ( 2.049 -2.268 -0.438) 3.087 2.642 ( -2.936 -0.366 -1.934) 3.535 2.672 ( 3.487 0.661 1.333) 3.791 2.690 ( 0.335 2.611 0.809) 2.754 2.748 ( -2.379 2.028 -3.758) 4.888 2.758 ( -1.801 1.621 -0.941) 2.600 2.788 ( 0.855 -0.305 2.718) 2.866 2.806 ( 1.433 -0.130 1.227) 1.891 2.847 ( 3.246 0.290 1.058) 3.427 2.865 ( 1.299 0.890 2.339) 2.819 2.911 ( 2.858 1.749 3.168) 4.612 2.940 ( 1.841 0.667 -1.701) 2.593 2.987 ( 0.939 -0.555 0.902) 1.415 3.018 ( -1.257 1.747 -3.115) 3.786 3.032 ( 4.632 -1.632 1.611) 5.169 3.069 ( 0.723 3.233 3.590) 4.885 3.121 ( -2.882 2.114 -2.119) 4.156 3.218 ( -1.869 1.324 0.232) 2.302 3.281 ( -3.489 0.435 -1.050) 3.669 3.341 ( -3.030 1.426 -1.431) 3.642 3.450 ( 1.288 -3.721 2.238) 4.529 3.493 ( -5.533 -4.249 -2.447) 7.393 3.577 ( -0.603 -2.992 2.471) 3.927 3.680 ( -4.565 -2.127 -3.367) 6.058 3.749 ( 0.578 0.751 2.599) 2.766 3.778 ( -1.624 0.086 -1.366) 2.124 4.334 ( -4.333 1.471 3.283) 5.632 4.372 ( -3.807 6.941 0.838) 7.961 4.472 ( 0.024 0.656 1.154) 1.327 4.532 ( -3.878 5.794 0.708) 7.008 4.598 ( -3.403 3.712 -3.653) 6.221 4.641 ( 0.682 7.328 2.872) 7.900 4.704 ( 2.579 2.813 2.531) 4.580 4.791 ( -3.170 4.744 -0.204) 5.709 4.883 ( -2.640 1.419 -0.761) 3.092 4.940 ( -4.547 -0.206 0.579) 4.589 4.994 ( -1.287 3.413 2.754) 4.570 5.117 ( 0.107 0.982 1.087) 1.469 5.145 ( -3.931 -1.679 -0.629) 4.321 5.185 ( -0.048 -3.410 2.491) 4.224 5.245 ( -2.674 -1.076 -1.526) 3.261 5.250 ( -3.595 -1.868 -1.907) 4.478 5.501 ( 1.285 -0.370 -1.301) 1.866 5.533 ( -0.935 1.082 -4.007) 4.254 5.611 ( -1.842 -3.193 -1.391) 3.940 5.640 ( 0.275 -1.616 0.244) 1.657 5.711 ( -1.029 0.865 -3.408) 3.664 5.747 ( 0.407 -0.109 -0.513) 0.663 5.839 ( -1.625 -0.103 0.711) 1.777 5.852 ( -2.291 -0.110 0.139) 2.298 5.924 ( -0.645 4.427 -1.233) 4.640 5.956 ( 0.180 4.673 2.120) 5.135 5.962 ( 0.569 2.720 1.036) 2.966 6.046 ( -2.767 3.260 0.055) 4.276 6.057 ( -1.152 2.684 0.124) 2.923 6.120 ( -1.188 3.062 -1.720) 3.707 6.144 ( -0.851 1.199 0.258) 1.493 6.188 ( -0.639 -0.536 0.391) 0.922 6.277 ( -0.038 2.431 -0.756) 2.546 6.355 ( -0.316 2.552 -1.649) 3.055 6.376 ( 1.135 4.263 2.126) 4.897 6.431 ( 2.285 2.611 0.802) 3.561 6.507 ( -0.197 -1.147 0.663) 1.339 6.523 ( -0.721 1.686 -0.873) 2.031 6.558 ( -0.070 2.902 0.640) 2.973 6.595 ( 1.024 2.664 0.970) 3.014 6.633 ( 2.231 6.237 2.996) 7.270 6.638 ( -3.860 6.417 -1.503) 7.638 6.676 ( 1.443 3.585 0.563) 3.906 6.745 ( 2.290 3.532 2.035) 4.676 6.872 ( -2.338 5.447 -3.676) 6.976 6.882 ( 1.461 2.839 -1.409) 3.490 6.988 ( -5.874 2.903 -0.651) 6.585 7.241 ( -5.444 -12.012 3.218) 13.575 7.398 ( -1.795 -5.107 -5.397) 7.644 7.459 ( 1.906 -8.517 -2.723) 9.143 7.624 ( 5.124 -7.002 -1.188) 8.758 7.646 ( 1.538 -5.852 -3.233) 6.860 7.812 ( 4.968 -4.836 -2.151) 7.259 8.025 ( 4.447 3.760 -0.544) 5.849 8.097 ( 10.321 -13.893 7.098) 18.706 8.309 ( 5.814 -3.857 1.288) 7.095 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 11.568 11.898 9.233) 18.990 1.515 ( -0.155 10.226 -6.756) 12.257 1.775 ( 12.714 10.560 11.716) 20.259 1.862 ( -7.252 11.038 0.519) 13.218 1.928 ( -7.592 6.557 -6.989) 12.226 2.124 ( 6.371 -2.195 -0.862) 6.793 2.132 ( 9.328 -3.020 1.603) 9.935 2.155 ( 5.442 -2.955 -0.363) 6.204 2.224 ( 7.310 -4.628 -3.269) 9.249 2.313 ( 4.109 2.562 -1.764) 5.154 2.347 ( 1.578 2.831 -4.383) 5.452 2.420 ( 4.033 -3.203 3.574) 6.269 2.498 ( 3.705 -3.117 1.846) 5.182 2.533 ( -1.604 3.016 -3.682) 5.023 2.580 ( -0.616 -4.380 -0.463) 4.447 2.623 ( -1.250 3.947 -2.055) 4.623 2.631 ( 7.454 1.452 0.802) 7.636 2.707 ( 0.104 1.738 0.409) 1.789 2.736 ( 0.110 1.953 0.702) 2.078 2.758 ( 3.086 -1.932 1.657) 4.001 2.821 ( 0.331 -1.329 -0.756) 1.564 2.840 ( -0.688 1.114 0.445) 1.383 2.861 ( 2.142 1.364 1.676) 3.043 2.880 ( 1.043 1.251 1.105) 1.968 2.940 ( -0.448 -1.443 -0.474) 1.584 2.977 ( -0.319 1.868 0.166) 1.903 3.024 ( 0.658 -0.253 -0.016) 0.705 3.030 ( 4.170 0.201 1.067) 4.309 3.055 ( 1.182 0.252 1.291) 1.769 3.098 ( 3.640 -0.800 -0.474) 3.757 3.156 ( -7.401 0.916 -0.945) 7.517 3.202 ( 0.339 3.154 -0.988) 3.323 3.209 ( 0.673 2.430 1.971) 3.200 3.266 ( -3.720 0.308 0.861) 3.831 3.369 ( -3.674 -0.963 -1.077) 3.947 3.459 ( -4.134 -0.880 -2.948) 5.153 3.557 ( -2.676 -3.390 -0.241) 4.326 3.625 ( -0.204 -1.659 -0.025) 1.672 3.748 ( -1.218 0.777 -0.751) 1.628 3.782 ( 0.148 -0.197 1.440) 1.461 4.245 ( -6.238 5.598 2.725) 8.813 4.375 ( -2.330 5.458 -4.192) 7.266 4.478 ( -1.283 2.173 0.107) 2.526 4.491 ( -0.914 2.453 3.172) 4.113 4.556 ( 0.110 4.575 2.487) 5.209 4.669 ( 0.042 6.411 0.433) 6.426 4.743 ( -1.582 1.817 0.317) 2.430 4.807 ( -1.934 4.295 -2.230) 5.212 4.811 ( 0.543 2.448 3.143) 4.021 4.939 ( 0.293 2.958 2.713) 4.025 5.012 ( -2.719 6.140 -0.253) 6.719 5.078 ( -0.103 -2.465 0.313) 2.487 5.092 ( -6.540 -1.775 -2.742) 7.310 5.145 ( -0.632 -0.027 1.202) 1.358 5.225 ( -0.928 -0.762 -0.462) 1.287 5.250 ( 1.438 -2.189 3.172) 4.114 5.468 ( -1.568 1.670 -3.721) 4.369 5.486 ( -0.982 -0.628 -3.578) 3.763 5.525 ( -2.002 -1.328 -1.068) 2.629 5.626 ( -2.001 -1.368 -4.454) 5.071 5.648 ( -3.595 -4.328 -2.574) 6.187 5.691 ( -1.661 0.706 -0.501) 1.874 5.806 ( 0.022 3.738 2.162) 4.318 5.832 ( -1.135 -0.616 -3.762) 3.977 5.904 ( -1.295 3.482 -0.863) 3.814 5.922 ( 0.154 2.837 -1.184) 3.077 5.984 ( -2.368 1.689 -0.513) 2.954 6.037 ( -0.487 5.255 0.533) 5.304 6.083 ( 1.431 5.125 5.727) 7.817 6.124 ( 1.461 -0.523 -0.376) 1.597 6.158 ( 0.578 2.322 0.213) 2.402 6.201 ( 0.188 -0.653 1.427) 1.581 6.255 ( -1.106 0.418 -0.779) 1.416 6.297 ( -1.181 0.269 -2.244) 2.550 6.373 ( -0.895 1.715 -2.450) 3.122 6.471 ( 1.583 2.940 0.946) 3.471 6.491 ( -2.251 2.675 1.443) 3.782 6.540 ( 0.924 0.876 -0.074) 1.275 6.576 ( 0.138 0.651 0.778) 1.023 6.597 ( -0.177 3.305 1.724) 3.732 6.654 ( 0.231 1.767 2.383) 2.975 6.677 ( 1.938 2.325 0.592) 3.084 6.778 ( -1.343 3.037 -4.235) 5.382 6.792 ( 5.810 5.058 5.639) 9.546 6.837 ( 4.625 5.070 3.887) 7.887 6.915 ( -3.132 1.212 1.805) 3.812 6.978 ( 4.188 6.363 5.846) 9.602 7.148 ( -5.814 -7.091 -3.527) 9.824 7.272 ( -3.945 -2.008 -5.925) 7.396 7.407 ( -2.219 -1.131 -7.499) 7.902 7.600 ( 1.229 -6.675 -3.628) 7.696 7.673 ( 3.221 -0.800 -1.747) 3.751 7.844 ( 2.762 -5.896 -1.431) 6.667 8.109 ( 3.608 0.001 4.289) 5.605 8.276 ( 4.945 -12.221 1.449) 13.263 8.407 ( 5.430 -11.309 2.284) 12.752 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 13.067 0.000) 13.067 1.639 ( -0.000 6.250 -0.000) 6.250 1.667 ( 0.000 6.546 0.000) 6.546 1.816 ( 0.000 17.904 0.000) 17.904 2.036 ( -0.000 2.573 -0.000) 2.573 2.138 ( 0.000 9.761 -0.000) 9.761 2.206 ( 0.000 0.034 0.000) 0.034 2.222 ( 0.000 -6.164 -0.000) 6.164 2.262 ( 0.000 -0.443 0.000) 0.443 2.273 ( -0.000 3.253 -0.000) 3.253 2.357 ( 0.000 3.659 0.000) 3.659 2.431 ( -0.000 -0.706 -0.000) 0.706 2.461 ( -0.000 -5.502 -0.000) 5.502 2.533 ( 0.000 -1.223 0.000) 1.223 2.591 ( 0.000 -4.141 0.000) 4.141 2.632 ( 0.000 3.886 0.000) 3.886 2.692 ( -0.000 -3.898 -0.000) 3.898 2.722 ( 0.000 -2.189 -0.000) 2.189 2.758 ( 0.000 -2.391 0.000) 2.391 2.768 ( -0.000 -1.317 -0.000) 1.317 2.838 ( -0.000 1.328 0.000) 1.328 2.859 ( -0.000 0.710 -0.000) 0.710 2.896 ( 0.000 -0.350 0.000) 0.350 2.905 ( -0.000 -3.724 -0.000) 3.724 2.944 ( 0.000 -2.648 0.000) 2.648 2.951 ( -0.000 -0.802 -0.000) 0.802 2.985 ( 0.000 1.052 0.000) 1.052 3.016 ( 0.000 1.651 0.000) 1.651 3.085 ( 0.000 0.217 0.000) 0.217 3.127 ( 0.000 -1.699 0.000) 1.699 3.132 ( -0.000 2.541 0.000) 2.541 3.180 ( 0.000 0.641 0.000) 0.641 3.220 ( 0.000 2.287 0.000) 2.287 3.300 ( -0.000 -2.258 -0.000) 2.258 3.331 ( 0.000 4.287 0.000) 4.287 3.387 ( 0.000 4.417 0.000) 4.417 3.526 ( 0.000 -0.113 0.000) 0.113 3.624 ( -0.000 -2.262 0.000) 2.262 3.728 ( 0.000 0.540 0.000) 0.540 3.793 ( -0.000 0.325 0.000) 0.325 4.257 ( 0.000 5.678 -0.000) 5.678 4.281 ( 0.000 5.270 0.000) 5.270 4.455 ( 0.000 4.703 -0.000) 4.703 4.538 ( -0.000 0.602 -0.000) 0.602 4.599 ( 0.000 1.563 -0.000) 1.563 4.661 ( 0.000 6.637 0.000) 6.637 4.724 ( 0.000 0.734 0.000) 0.734 4.744 ( 0.000 5.609 0.000) 5.609 4.891 ( 0.000 9.150 0.000) 9.150 4.922 ( -0.000 -2.345 0.000) 2.345 4.976 ( 0.000 5.848 0.000) 5.848 5.025 ( -0.000 -0.320 0.000) 0.320 5.111 ( 0.000 1.099 0.000) 1.099 5.153 ( 0.000 -0.306 0.000) 0.306 5.213 ( 0.000 0.911 0.000) 0.911 5.290 ( 0.000 -0.082 0.000) 0.082 5.413 ( 0.000 1.493 -0.000) 1.493 5.436 ( 0.000 -1.502 0.000) 1.502 5.527 ( -0.000 -2.240 -0.000) 2.240 5.560 ( 0.000 -4.848 0.000) 4.848 5.606 ( 0.000 -1.684 0.000) 1.684 5.680 ( 0.000 2.446 0.000) 2.446 5.794 ( -0.000 -0.689 0.000) 0.689 5.838 ( -0.000 5.889 -0.000) 5.889 5.865 ( 0.000 0.697 0.000) 0.697 5.936 ( 0.000 1.508 0.000) 1.508 5.952 ( -0.000 1.427 0.000) 1.427 6.036 ( 0.000 6.031 0.000) 6.031 6.123 ( 0.000 -2.691 -0.000) 2.691 6.150 ( -0.000 6.565 -0.000) 6.565 6.171 ( 0.000 1.752 -0.000) 1.752 6.190 ( 0.000 -0.832 0.000) 0.832 6.251 ( 0.000 -2.702 0.000) 2.702 6.279 ( 0.000 0.525 0.000) 0.525 6.339 ( 0.000 0.596 0.000) 0.596 6.477 ( 0.000 -0.566 0.000) 0.566 6.502 ( 0.000 8.459 -0.000) 8.459 6.545 ( 0.000 0.784 0.000) 0.784 6.584 ( -0.000 -1.565 -0.000) 1.565 6.607 ( 0.000 2.712 0.000) 2.712 6.686 ( 0.000 1.086 0.000) 1.086 6.689 ( -0.000 4.321 -0.000) 4.321 6.745 ( 0.000 1.685 0.000) 1.685 6.861 ( 0.000 0.699 0.000) 0.699 6.881 ( -0.000 -4.375 0.000) 4.375 6.934 ( -0.000 4.881 -0.000) 4.881 7.096 ( -0.000 -3.853 -0.000) 3.853 7.106 ( 0.000 8.726 -0.000) 8.726 7.217 ( 0.000 -1.902 0.000) 1.902 7.237 ( 0.000 11.240 0.000) 11.240 7.591 ( 0.000 -7.985 0.000) 7.985 7.682 ( 0.000 -1.118 -0.000) 1.118 7.853 ( 0.000 -5.476 0.000) 5.476 8.176 ( 0.000 -0.759 -0.000) 0.759 8.302 ( 0.000 -10.150 0.000) 10.150 8.471 ( 0.000 -16.406 0.000) 16.406 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.000 19.521 0.000) 19.521 1.470 ( 0.000 23.557 0.000) 23.557 1.501 ( 0.000 -16.386 0.000) 16.386 1.801 ( 0.000 -7.163 0.000) 7.163 1.987 ( 0.000 4.860 0.000) 4.860 2.100 ( 0.000 -7.085 0.000) 7.085 2.117 ( 0.000 5.508 0.000) 5.508 2.130 ( 0.000 1.150 0.000) 1.150 2.200 ( 0.000 1.868 0.000) 1.868 2.230 ( 0.000 0.784 0.000) 0.784 2.243 ( 0.000 -1.864 0.000) 1.864 2.319 ( 0.000 -4.656 0.000) 4.656 2.468 ( 0.000 2.595 0.000) 2.595 2.507 ( 0.000 -0.470 0.000) 0.470 2.524 ( 0.000 3.567 0.000) 3.567 2.567 ( 0.000 1.394 0.000) 1.394 2.577 ( 0.000 5.406 0.000) 5.406 2.663 ( 0.000 0.467 0.000) 0.467 2.688 ( 0.000 -3.676 0.000) 3.676 2.698 ( 0.000 -1.966 0.000) 1.966 2.761 ( 0.000 1.690 0.000) 1.690 2.817 ( 0.000 -1.950 0.000) 1.950 2.829 ( 0.000 1.184 0.000) 1.184 2.837 ( 0.000 2.050 0.000) 2.050 2.858 ( 0.000 0.093 0.000) 0.093 2.891 ( 0.000 -1.731 0.000) 1.731 2.908 ( 0.000 -0.891 0.000) 0.891 2.934 ( 0.000 -1.806 0.000) 1.806 3.056 ( 0.000 1.848 0.000) 1.848 3.089 ( 0.000 -1.017 0.000) 1.017 3.172 ( 0.000 1.141 0.000) 1.141 3.211 ( 0.000 -2.969 0.000) 2.969 3.343 ( 0.000 0.736 0.000) 0.736 3.354 ( 0.000 -0.609 0.000) 0.609 3.504 ( 0.000 2.923 0.000) 2.923 3.550 ( 0.000 -2.036 0.000) 2.036 3.624 ( 0.000 5.519 0.000) 5.519 3.704 ( 0.000 -1.886 0.000) 1.886 3.770 ( 0.000 -0.821 0.000) 0.821 3.790 ( 0.000 -2.200 0.000) 2.200 4.409 ( 0.000 3.760 0.000) 3.760 4.431 ( 0.000 1.323 0.000) 1.323 4.472 ( 0.000 2.715 0.000) 2.715 4.555 ( 0.000 -5.715 0.000) 5.715 4.627 ( 0.000 1.681 0.000) 1.681 4.641 ( 0.000 0.014 0.000) 0.014 4.907 ( 0.000 7.000 0.000) 7.000 4.926 ( 0.000 3.704 0.000) 3.704 5.039 ( 0.000 -3.019 0.000) 3.019 5.041 ( 0.000 -4.568 0.000) 4.568 5.069 ( 0.000 6.780 0.000) 6.780 5.139 ( 0.000 0.161 0.000) 0.161 5.218 ( 0.000 5.962 0.000) 5.962 5.219 ( 0.000 1.389 0.000) 1.389 5.262 ( 0.000 -0.812 0.000) 0.812 5.321 ( 0.000 -3.257 0.000) 3.257 5.517 ( 0.000 0.644 0.000) 0.644 5.553 ( 0.000 -2.827 0.000) 2.827 5.597 ( 0.000 1.777 0.000) 1.777 5.623 ( 0.000 -0.871 0.000) 0.871 5.652 ( 0.000 1.241 0.000) 1.241 5.666 ( 0.000 -0.223 0.000) 0.223 5.873 ( 0.000 -0.043 0.000) 0.043 5.884 ( 0.000 -1.404 0.000) 1.404 5.932 ( 0.000 5.743 0.000) 5.743 5.976 ( 0.000 1.460 0.000) 1.460 6.029 ( 0.000 3.522 0.000) 3.522 6.087 ( 0.000 -2.242 0.000) 2.242 6.099 ( 0.000 1.373 0.000) 1.373 6.149 ( 0.000 -4.948 0.000) 4.948 6.168 ( 0.000 1.913 0.000) 1.913 6.216 ( 0.000 -2.889 0.000) 2.889 6.340 ( 0.000 4.436 0.000) 4.436 6.382 ( 0.000 4.303 0.000) 4.303 6.407 ( 0.000 4.876 0.000) 4.876 6.410 ( 0.000 1.185 0.000) 1.185 6.503 ( 0.000 -3.230 0.000) 3.230 6.541 ( 0.000 -4.162 0.000) 4.162 6.578 ( 0.000 4.535 0.000) 4.535 6.691 ( 0.000 10.602 0.000) 10.602 6.729 ( 0.000 -8.003 0.000) 8.003 6.748 ( 0.000 8.930 0.000) 8.930 6.870 ( 0.000 -4.317 0.000) 4.317 6.871 ( 0.000 3.693 0.000) 3.693 6.991 ( 0.000 -11.099 0.000) 11.099 6.999 ( 0.000 -6.149 0.000) 6.149 7.042 ( 0.000 6.543 0.000) 6.543 7.139 ( 0.000 11.028 0.000) 11.028 7.300 ( 0.000 -0.879 0.000) 0.879 7.377 ( 0.000 -16.404 0.000) 16.404 7.428 ( 0.000 -2.793 0.000) 2.793 7.456 ( 0.000 9.931 0.000) 9.931 7.591 ( 0.000 -7.245 0.000) 7.245 7.692 ( 0.000 -10.464 0.000) 10.464 8.060 ( 0.000 3.270 0.000) 3.270 8.112 ( 0.000 -2.389 0.000) 2.389 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 14.045 16.820 1.412) 21.958 1.455 ( 2.828 18.722 -2.797) 19.140 1.576 ( 10.322 -9.805 -1.679) 14.335 1.823 ( 3.741 -11.098 -0.776) 11.737 1.954 ( 0.397 2.662 -3.510) 4.423 1.995 ( -0.890 -2.470 -7.454) 7.903 2.125 ( -0.857 1.062 -5.973) 6.127 2.146 ( 1.612 -1.275 -4.239) 4.710 2.195 ( 1.404 1.297 -1.749) 2.591 2.203 ( 4.284 -0.378 -0.633) 4.347 2.262 ( 1.646 1.548 2.393) 3.292 2.309 ( -1.209 -2.342 1.993) 3.304 2.469 ( -0.943 5.342 -1.484) 5.624 2.497 ( 3.138 4.179 0.669) 5.269 2.552 ( -0.985 0.949 0.952) 1.666 2.609 ( -0.306 -3.706 1.915) 4.183 2.638 ( 2.830 3.186 2.656) 5.021 2.713 ( 1.123 -2.864 2.134) 3.744 2.733 ( 4.771 1.372 4.329) 6.587 2.741 ( 4.261 0.268 2.991) 5.213 2.791 ( 2.461 2.294 2.703) 4.315 2.814 ( -0.056 3.067 -1.213) 3.299 2.817 ( -1.984 1.046 0.965) 2.441 2.828 ( -0.591 -0.081 -0.343) 0.688 2.854 ( 0.957 -2.001 -0.141) 2.223 2.911 ( 2.358 -2.775 -0.511) 3.677 2.932 ( 1.766 0.874 2.445) 3.140 2.955 ( 0.268 -1.549 2.284) 2.773 3.068 ( 0.471 3.696 1.897) 4.181 3.128 ( 1.160 -2.256 2.699) 3.704 3.145 ( -1.254 2.521 -1.197) 3.060 3.222 ( 0.651 -4.885 1.580) 5.175 3.326 ( -0.763 2.424 -1.731) 3.075 3.347 ( -0.646 0.357 -0.206) 0.766 3.478 ( -3.539 1.207 -1.041) 3.881 3.522 ( -3.596 -2.907 -1.637) 4.905 3.596 ( -1.413 5.125 -1.937) 5.658 3.689 ( -1.973 -4.169 -1.349) 4.805 3.760 ( -0.196 0.955 -0.209) 0.997 3.785 ( -0.042 -1.551 -0.284) 1.577 4.374 ( -4.084 3.525 2.827) 6.090 4.434 ( -2.806 -2.385 2.158) 4.268 4.509 ( 2.872 4.640 0.196) 5.460 4.582 ( 0.343 -3.339 1.575) 3.708 4.653 ( 1.927 2.053 1.591) 3.234 4.669 ( 2.374 0.513 2.176) 3.261 4.815 ( -7.629 7.972 0.344) 11.039 4.940 ( -3.784 -1.235 -0.294) 3.992 4.990 ( -2.596 1.172 -0.700) 2.933 5.008 ( -5.383 2.051 -2.163) 6.154 5.064 ( -3.722 1.854 -2.411) 4.807 5.089 ( 1.106 -2.401 -0.413) 2.676 5.167 ( -2.561 2.190 -1.212) 3.581 5.191 ( -2.986 -0.644 -2.288) 3.817 5.256 ( 0.413 0.910 0.676) 1.207 5.285 ( -2.889 -1.981 -1.340) 3.750 5.507 ( -0.176 0.600 -0.851) 1.056 5.542 ( -0.578 -3.079 -0.138) 3.136 5.618 ( -1.276 2.014 -1.673) 2.913 5.647 ( -0.982 -1.152 -1.368) 2.041 5.690 ( 4.600 0.649 2.307) 5.187 5.706 ( 5.203 -0.858 2.317) 5.760 5.854 ( -1.860 2.080 -0.349) 2.812 5.882 ( -0.904 -1.648 -0.624) 1.981 5.957 ( 1.028 3.416 1.877) 4.031 5.986 ( 1.071 2.044 1.317) 2.657 6.035 ( -1.075 2.561 -0.261) 2.790 6.057 ( -0.338 -0.007 1.199) 1.245 6.070 ( -3.626 -1.178 0.409) 3.834 6.134 ( -0.036 -3.595 0.444) 3.622 6.217 ( 1.092 3.045 0.572) 3.285 6.269 ( 2.411 -1.582 1.675) 3.335 6.318 ( -2.354 5.789 -2.292) 6.656 6.361 ( 0.591 3.199 1.308) 3.506 6.388 ( 1.234 -0.368 -0.943) 1.596 6.432 ( 0.149 0.273 -0.107) 0.329 6.503 ( -0.217 -0.562 -0.521) 0.796 6.545 ( 1.314 -2.548 -0.368) 2.890 6.599 ( 1.051 6.191 2.344) 6.703 6.694 ( 0.452 3.197 -0.003) 3.228 6.723 ( -1.717 0.359 0.760) 1.912 6.784 ( 1.788 8.484 1.438) 8.789 6.815 ( -4.713 2.082 -4.756) 7.012 6.824 ( -2.647 4.294 -1.253) 5.198 6.927 ( -2.125 0.434 -1.422) 2.593 7.010 ( -2.900 -4.815 0.361) 5.632 7.037 ( -0.635 -4.821 0.099) 4.863 7.145 ( -3.666 0.546 -0.722) 3.777 7.290 ( 1.174 5.559 -1.354) 5.841 7.356 ( 1.140 -9.497 1.810) 9.735 7.416 ( 3.257 -6.391 -1.131) 7.262 7.472 ( -2.324 -6.147 -0.695) 6.608 7.648 ( 8.643 -1.530 1.980) 8.998 7.735 ( 5.635 -7.646 -1.456) 9.609 8.094 ( 5.090 4.052 -1.514) 6.680 8.159 ( 4.969 -2.926 0.803) 5.822 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 8.201 18.889 -0.611) 20.602 1.558 ( 17.119 7.398 4.923) 19.288 1.691 ( 9.592 0.552 -3.446) 10.207 1.906 ( 9.800 -14.905 -0.342) 17.842 1.942 ( 5.585 -0.925 -1.870) 5.962 1.956 ( 3.209 -1.596 -0.872) 3.689 2.050 ( 0.190 0.411 -4.563) 4.586 2.088 ( 2.210 -3.850 -4.922) 6.629 2.198 ( 0.248 2.164 -2.933) 3.653 2.228 ( 2.507 -1.018 -2.644) 3.784 2.331 ( 4.191 2.402 1.450) 5.043 2.361 ( 2.711 -0.017 2.183) 3.481 2.429 ( -0.334 3.844 -0.299) 3.870 2.516 ( -1.335 -4.155 -0.723) 4.424 2.597 ( 0.540 2.072 1.946) 2.893 2.610 ( 1.618 1.255 1.307) 2.429 2.697 ( 2.485 3.025 0.619) 3.963 2.740 ( -0.943 -1.026 0.320) 1.429 2.768 ( -0.734 2.433 0.962) 2.717 2.784 ( -0.307 2.594 -1.325) 2.929 2.806 ( 0.435 -0.084 -0.393) 0.592 2.831 ( 1.029 -1.436 2.356) 2.945 2.861 ( 1.581 1.107 1.016) 2.181 2.875 ( 2.446 0.386 3.142) 4.001 2.909 ( 4.055 1.358 3.590) 5.583 2.951 ( 2.280 -0.687 -1.840) 3.009 2.980 ( 2.182 0.436 1.323) 2.589 2.994 ( 3.656 -1.106 0.760) 3.894 3.087 ( -0.256 4.159 -0.149) 4.170 3.142 ( -1.308 0.293 0.213) 1.357 3.182 ( 2.404 5.125 6.291) 8.463 3.267 ( -3.296 3.854 -3.499) 6.161 3.276 ( -0.884 -1.589 2.416) 3.023 3.347 ( -1.364 -2.022 -0.988) 2.632 3.383 ( -3.587 -2.210 0.222) 4.219 3.415 ( -5.532 -3.448 -2.150) 6.864 3.550 ( -1.968 1.390 -1.580) 2.881 3.614 ( -3.670 -4.227 -3.036) 6.368 3.772 ( 0.858 1.111 0.522) 1.498 3.782 ( -0.021 0.041 -0.455) 0.457 4.376 ( -3.086 2.972 4.176) 5.982 4.436 ( -2.777 -2.668 4.083) 5.613 4.503 ( -2.459 5.378 -0.565) 5.940 4.575 ( -3.257 -1.459 0.081) 3.569 4.669 ( -2.192 3.673 -1.035) 4.401 4.721 ( -0.227 -1.181 1.682) 2.067 4.785 ( 0.077 7.284 3.637) 8.142 4.864 ( -2.897 0.603 -1.250) 3.213 4.909 ( -3.301 3.014 -0.543) 4.503 4.953 ( -1.516 0.222 1.556) 2.184 5.019 ( -2.920 0.038 1.108) 3.124 5.081 ( -1.365 -5.158 2.182) 5.765 5.138 ( -1.077 1.118 0.061) 1.553 5.164 ( -1.070 0.091 -0.811) 1.346 5.207 ( -3.893 0.049 -2.574) 4.667 5.235 ( -1.877 -1.194 -1.961) 2.966 5.494 ( 0.589 0.289 -1.700) 1.822 5.526 ( -0.591 -2.667 -1.725) 3.230 5.576 ( -1.215 1.227 -1.522) 2.303 5.610 ( -1.494 -1.781 -1.065) 2.557 5.719 ( -0.940 0.183 -4.594) 4.692 5.731 ( -0.430 -1.118 -3.648) 3.840 5.841 ( -0.541 0.466 0.092) 0.720 5.849 ( -0.391 -0.247 0.203) 0.505 5.985 ( -0.686 2.743 0.836) 2.948 6.023 ( -1.704 0.099 0.790) 1.881 6.035 ( 0.510 3.294 2.391) 4.102 6.056 ( 0.409 1.614 2.580) 3.070 6.083 ( -0.971 0.140 2.909) 3.070 6.134 ( -0.509 -3.104 0.985) 3.296 6.201 ( -2.592 5.855 -2.970) 7.059 6.246 ( 0.014 4.442 0.306) 4.453 6.308 ( 0.646 -0.051 -1.346) 1.494 6.338 ( -2.372 -3.990 -2.535) 5.289 6.462 ( 3.268 2.482 1.620) 4.412 6.471 ( 0.854 3.846 -0.682) 3.998 6.481 ( 2.040 -0.852 3.891) 4.475 6.554 ( 0.242 -1.171 -2.280) 2.575 6.617 ( -2.856 4.384 -1.295) 5.390 6.657 ( -1.976 2.030 -1.422) 3.170 6.701 ( -2.137 1.162 -1.887) 3.079 6.709 ( -1.167 2.626 0.040) 2.874 6.775 ( -0.928 4.510 1.703) 4.910 6.859 ( 0.893 5.192 1.926) 5.609 6.890 ( -1.025 -2.413 -0.253) 2.634 6.981 ( -3.162 2.963 -3.391) 5.503 7.004 ( -0.656 0.454 3.526) 3.615 7.070 ( -3.724 -4.665 0.752) 6.017 7.307 ( 3.156 -2.198 -0.089) 3.848 7.349 ( -2.625 -2.596 -2.831) 4.652 7.496 ( 7.123 -4.032 1.428) 8.308 7.527 ( 6.244 -6.061 3.179) 9.265 7.753 ( 5.588 -0.702 -3.348) 6.552 7.837 ( 9.760 -10.551 1.744) 14.478 8.133 ( 3.968 5.840 -2.348) 7.441 8.233 ( 4.678 -4.634 -0.687) 6.620 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 9.265 13.307 2.132) 16.354 1.707 ( 5.229 8.127 -2.079) 9.885 1.875 ( 8.376 -0.068 2.213) 8.664 1.929 ( -2.158 -1.625 -0.585) 2.764 2.024 ( -0.484 1.608 4.033) 4.369 2.061 ( 9.452 -3.635 2.143) 10.351 2.098 ( 6.138 -1.368 1.855) 6.557 2.140 ( 3.073 1.765 -1.411) 3.814 2.159 ( 11.140 -2.025 -4.172) 12.066 2.236 ( 6.413 -7.444 -0.439) 9.835 2.376 ( 0.108 1.113 0.271) 1.150 2.387 ( 0.436 1.263 0.837) 1.577 2.464 ( 1.946 0.345 -0.358) 2.008 2.508 ( 0.252 -3.450 0.454) 3.489 2.578 ( -0.723 3.140 -0.990) 3.371 2.646 ( 0.448 -2.888 -0.137) 2.925 2.682 ( -3.950 2.390 -3.300) 5.675 2.709 ( -0.907 -0.791 -0.904) 1.505 2.772 ( -0.105 2.068 -1.033) 2.314 2.792 ( -0.457 1.971 -0.790) 2.172 2.821 ( 2.031 1.089 0.840) 2.453 2.864 ( 0.440 -0.038 1.626) 1.685 2.882 ( -1.525 -0.121 -0.474) 1.601 2.898 ( -1.196 -0.634 1.219) 1.821 2.938 ( 2.064 2.970 -0.455) 3.645 2.976 ( 1.283 -1.068 -0.933) 1.912 3.042 ( 1.975 1.997 0.825) 2.927 3.053 ( 3.482 0.910 0.824) 3.692 3.081 ( -3.154 2.914 -1.600) 4.583 3.112 ( 2.884 2.509 0.921) 3.932 3.155 ( -8.495 -1.524 -3.282) 9.233 3.199 ( -2.537 -3.267 0.617) 4.182 3.262 ( -0.337 2.195 0.856) 2.381 3.279 ( -2.443 0.421 -0.750) 2.590 3.399 ( 1.727 3.723 3.658) 5.498 3.457 ( 1.627 -0.536 1.779) 2.470 3.495 ( -2.141 -1.118 -1.467) 2.826 3.556 ( -0.653 -4.900 0.147) 4.946 3.768 ( -0.772 1.045 -0.798) 1.524 3.779 ( 0.053 -0.195 -0.170) 0.264 4.359 ( -4.799 5.811 2.452) 7.925 4.433 ( -3.715 -0.853 -0.445) 3.838 4.498 ( 1.186 1.677 1.148) 2.353 4.523 ( -1.417 0.235 1.799) 2.303 4.633 ( -2.874 3.867 1.124) 4.947 4.714 ( -2.688 -4.189 1.499) 5.198 4.793 ( -1.060 5.536 -0.525) 5.661 4.844 ( 0.202 1.162 0.860) 1.460 4.901 ( -0.509 5.336 -0.634) 5.398 5.005 ( 1.020 -4.051 1.399) 4.405 5.021 ( 0.498 3.870 3.464) 5.218 5.078 ( -4.319 1.328 -0.904) 4.608 5.109 ( -1.434 1.411 -0.334) 2.039 5.138 ( 0.363 -1.885 1.212) 2.270 5.170 ( 1.356 -2.462 1.566) 3.217 5.206 ( 0.920 -2.408 0.628) 2.653 5.481 ( 0.428 0.274 -1.334) 1.428 5.487 ( -1.227 0.077 -2.177) 2.501 5.512 ( -5.422 1.037 -3.079) 6.321 5.565 ( -4.421 -3.970 -3.105) 6.704 5.618 ( -0.853 0.837 -4.357) 4.518 5.658 ( -0.307 -2.980 -2.561) 3.941 5.833 ( -0.248 0.883 -2.098) 2.290 5.849 ( 0.263 0.035 0.461) 0.532 5.965 ( -1.706 2.918 -0.570) 3.428 6.003 ( -2.026 -0.392 -0.091) 2.065 6.034 ( -1.097 8.277 -0.145) 8.350 6.099 ( -1.116 0.973 1.846) 2.367 6.111 ( 1.336 -0.755 2.185) 2.670 6.142 ( -0.998 4.498 -0.403) 4.625 6.164 ( 0.392 -2.946 2.734) 4.038 6.245 ( -3.023 -3.953 -2.642) 5.635 6.274 ( 1.026 3.895 -0.305) 4.040 6.296 ( 0.429 0.265 -1.963) 2.027 6.423 ( -1.010 5.881 -2.218) 6.366 6.487 ( -1.036 1.926 -2.373) 3.227 6.529 ( 1.113 -1.696 0.714) 2.150 6.543 ( 0.029 -1.153 -1.094) 1.590 6.615 ( 0.160 2.317 2.167) 3.176 6.632 ( -0.609 -0.015 4.008) 4.054 6.686 ( 0.909 0.814 0.102) 1.224 6.713 ( -0.567 -0.480 1.613) 1.776 6.774 ( -0.330 0.041 -0.358) 0.489 6.835 ( -1.203 -4.865 -0.890) 5.090 6.872 ( -3.103 5.216 -3.760) 7.140 6.961 ( 1.642 2.271 1.887) 3.378 7.042 ( -1.041 -2.038 -0.006) 2.288 7.083 ( 1.745 0.972 6.036) 6.358 7.294 ( -1.088 3.898 -1.075) 4.187 7.374 ( 3.126 -3.264 2.608) 5.218 7.550 ( 3.215 4.229 -3.809) 6.537 7.648 ( 4.705 -2.730 1.072) 5.544 7.786 ( 3.995 1.407 -0.481) 4.263 7.972 ( 6.246 -16.576 0.715) 17.728 8.153 ( 2.178 4.577 -0.584) 5.102 8.259 ( 1.952 -6.368 -2.131) 6.993 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 13.328 0.000) 13.328 1.786 ( -0.000 7.825 -0.000) 7.825 1.800 ( 0.000 5.584 0.000) 5.584 1.962 ( 0.000 -9.250 0.000) 9.250 2.039 ( 0.000 5.762 -0.000) 5.762 2.110 ( -0.000 -3.652 0.000) 3.652 2.153 ( -0.000 -3.417 -0.000) 3.417 2.170 ( 0.000 -4.802 0.000) 4.802 2.319 ( -0.000 3.649 -0.000) 3.649 2.337 ( 0.000 0.509 0.000) 0.509 2.401 ( 0.000 2.932 0.000) 2.932 2.432 ( 0.000 2.722 0.000) 2.722 2.438 ( -0.000 0.527 -0.000) 0.527 2.474 ( 0.000 -4.739 0.000) 4.739 2.576 ( -0.000 3.159 -0.000) 3.159 2.613 ( 0.000 -2.313 0.000) 2.313 2.624 ( -0.000 -3.144 -0.000) 3.144 2.661 ( 0.000 -3.897 0.000) 3.897 2.745 ( -0.000 -0.371 -0.000) 0.371 2.747 ( 0.000 -0.755 0.000) 0.755 2.867 ( -0.000 0.757 -0.000) 0.757 2.877 ( 0.000 1.546 0.000) 1.546 2.890 ( 0.000 -1.728 0.000) 1.728 2.897 ( 0.000 -0.378 0.000) 0.378 2.925 ( 0.000 3.422 0.000) 3.422 2.963 ( -0.000 0.135 -0.000) 0.135 3.043 ( 0.000 4.191 -0.000) 4.191 3.048 ( -0.000 2.333 0.000) 2.333 3.097 ( -0.000 -0.157 0.000) 0.157 3.099 ( 0.000 -1.641 -0.000) 1.641 3.161 ( 0.000 0.861 0.000) 0.861 3.177 ( -0.000 -0.901 0.000) 0.901 3.248 ( 0.000 0.699 -0.000) 0.699 3.265 ( 0.000 -1.405 0.000) 1.405 3.415 ( 0.000 4.317 0.000) 4.317 3.477 ( -0.000 5.098 0.000) 5.098 3.486 ( 0.000 -3.287 0.000) 3.287 3.567 ( 0.000 -4.158 0.000) 4.158 3.752 ( 0.000 1.627 0.000) 1.627 3.779 ( -0.000 -1.242 -0.000) 1.242 4.350 ( 0.000 3.971 0.000) 3.971 4.373 ( -0.000 2.482 -0.000) 2.482 4.523 ( 0.000 2.318 0.000) 2.318 4.545 ( -0.000 -0.153 -0.000) 0.153 4.625 ( -0.000 2.617 0.000) 2.617 4.697 ( 0.000 -3.491 0.000) 3.491 4.781 ( 0.000 5.369 0.000) 5.369 4.864 ( -0.000 -3.747 -0.000) 3.747 4.876 ( 0.000 7.551 0.000) 7.551 4.991 ( -0.000 -3.902 0.000) 3.902 5.020 ( -0.000 5.430 -0.000) 5.430 5.068 ( 0.000 4.783 0.000) 4.783 5.118 ( 0.000 -2.391 0.000) 2.391 5.142 ( 0.000 -3.214 -0.000) 3.214 5.223 ( 0.000 2.809 0.000) 2.809 5.275 ( 0.000 -1.685 -0.000) 1.685 5.412 ( -0.000 -1.002 -0.000) 1.002 5.417 ( 0.000 -1.206 0.000) 1.206 5.484 ( -0.000 -0.815 -0.000) 0.815 5.492 ( 0.000 -1.603 0.000) 1.603 5.595 ( 0.000 1.116 0.000) 1.116 5.650 ( -0.000 -4.018 -0.000) 4.018 5.810 ( 0.000 2.669 0.000) 2.669 5.858 ( 0.000 -1.903 0.000) 1.903 5.942 ( 0.000 3.640 0.000) 3.640 5.980 ( 0.000 0.202 0.000) 0.202 6.027 ( 0.000 7.510 0.000) 7.510 6.103 ( 0.000 0.980 0.000) 0.980 6.131 ( 0.000 3.249 0.000) 3.249 6.157 ( 0.000 -2.881 -0.000) 2.881 6.172 ( -0.000 -0.211 -0.000) 0.211 6.201 ( 0.000 -2.637 0.000) 2.637 6.281 ( -0.000 2.084 0.000) 2.084 6.284 ( 0.000 0.280 -0.000) 0.280 6.400 ( 0.000 7.975 0.000) 7.975 6.471 ( 0.000 -0.067 0.000) 0.067 6.515 ( 0.000 -1.949 0.000) 1.949 6.546 ( 0.000 -3.145 0.000) 3.145 6.627 ( 0.000 3.088 0.000) 3.088 6.682 ( -0.000 4.163 -0.000) 4.163 6.700 ( 0.000 -1.463 0.000) 1.463 6.716 ( 0.000 -4.301 -0.000) 4.301 6.786 ( -0.000 5.717 -0.000) 5.717 6.797 ( 0.000 -1.240 0.000) 1.240 6.823 ( -0.000 -1.502 0.000) 1.502 6.967 ( -0.000 -9.447 -0.000) 9.447 7.044 ( 0.000 6.651 0.000) 6.651 7.157 ( 0.000 -4.791 0.000) 4.791 7.273 ( 0.000 8.826 0.000) 8.826 7.434 ( 0.000 -8.513 0.000) 8.513 7.520 ( 0.000 16.753 0.000) 16.753 7.685 ( 0.000 -0.450 -0.000) 0.450 7.821 ( 0.000 2.134 0.000) 2.134 8.017 ( 0.000 -18.001 0.000) 18.001 8.173 ( -0.000 1.328 -0.000) 1.328 8.250 ( 0.000 -7.151 0.000) 7.151 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 6.980 0.000 22.825) 23.868 0.572 ( 3.687 0.000 25.432) 25.698 0.924 ( -5.074 0.000 40.316) 40.634 1.803 ( -7.474 0.000 -7.620) 10.674 1.828 ( -1.466 0.000 -11.893) 11.983 1.878 ( 6.127 0.000 -3.658) 7.136 1.898 ( 7.087 0.000 -0.141) 7.088 2.035 ( 0.670 0.000 -1.383) 1.537 2.123 ( 0.293 0.000 1.051) 1.091 2.214 ( 0.005 0.000 -2.518) 2.518 2.219 ( 0.395 0.000 -1.381) 1.436 2.285 ( -1.403 0.000 -6.149) 6.307 2.401 ( -2.164 0.000 -2.770) 3.515 2.429 ( -1.258 0.000 1.473) 1.937 2.528 ( -6.333 0.000 2.422) 6.780 2.559 ( -0.131 0.000 1.055) 1.063 2.638 ( -0.545 0.000 1.818) 1.898 2.678 ( 0.952 0.000 0.842) 1.271 2.698 ( -1.680 0.000 -1.652) 2.356 2.711 ( -2.229 0.000 6.488) 6.860 2.766 ( 0.262 0.000 0.647) 0.698 2.771 ( 0.379 0.000 -0.422) 0.567 2.840 ( 0.730 0.000 -2.490) 2.595 2.875 ( -1.491 0.000 -8.560) 8.689 2.885 ( 0.804 0.000 -0.130) 0.815 2.915 ( 0.605 0.000 -0.280) 0.667 2.988 ( -0.738 0.000 0.159) 0.755 3.041 ( -1.842 0.000 -2.107) 2.799 3.114 ( -1.234 0.000 -6.718) 6.831 3.121 ( -1.198 0.000 -3.562) 3.758 3.223 ( -1.324 0.000 -4.713) 4.895 3.225 ( 1.216 0.000 -1.400) 1.855 3.305 ( -1.862 0.000 -7.336) 7.569 3.356 ( 2.407 0.000 -1.494) 2.833 3.422 ( 3.463 0.000 3.669) 5.045 3.482 ( 3.743 0.000 5.640) 6.769 3.621 ( 1.509 0.000 7.659) 7.806 3.724 ( 2.209 0.000 7.423) 7.745 3.753 ( 0.529 0.000 -3.589) 3.627 3.866 ( -0.114 0.000 1.281) 1.286 4.211 ( 2.559 0.000 4.811) 5.449 4.373 ( 0.381 0.000 1.147) 1.208 4.417 ( -2.978 0.000 -0.602) 3.038 4.468 ( 2.113 0.000 0.075) 2.114 4.511 ( -3.279 0.000 -1.492) 3.603 4.569 ( -3.751 0.000 1.024) 3.888 4.624 ( 0.142 0.000 -6.763) 6.765 4.689 ( 1.463 0.000 -3.483) 3.778 4.864 ( 1.044 0.000 4.256) 4.382 4.922 ( 1.956 0.000 3.117) 3.680 5.026 ( 0.039 0.000 5.237) 5.237 5.106 ( -0.284 0.000 1.099) 1.135 5.116 ( 1.398 0.000 -0.207) 1.413 5.186 ( 4.621 0.000 5.851) 7.456 5.275 ( -0.747 0.000 0.829) 1.116 5.427 ( 2.137 0.000 0.310) 2.159 5.456 ( 2.303 0.000 0.511) 2.359 5.483 ( 6.948 0.000 0.546) 6.969 5.579 ( 0.689 0.000 1.996) 2.111 5.592 ( -2.995 0.000 -2.271) 3.758 5.718 ( 5.011 0.000 1.243) 5.163 5.720 ( 0.601 0.000 1.937) 2.028 5.766 ( 13.051 0.000 1.662) 13.157 5.832 ( 1.055 0.000 -0.997) 1.452 5.845 ( -4.342 0.000 -4.167) 6.018 5.904 ( -1.493 0.000 -3.161) 3.496 5.909 ( 8.216 0.000 -0.450) 8.228 5.992 ( 4.322 0.000 1.202) 4.486 6.035 ( -4.135 0.000 -1.752) 4.491 6.174 ( -1.305 0.000 -2.120) 2.490 6.180 ( -1.861 0.000 -4.152) 4.550 6.220 ( -3.030 0.000 0.693) 3.108 6.248 ( 0.266 0.000 -0.005) 0.266 6.261 ( 0.060 0.000 1.771) 1.772 6.295 ( -1.603 0.000 2.123) 2.661 6.325 ( 2.803 0.000 6.580) 7.152 6.409 ( 0.514 0.000 1.967) 2.033 6.444 ( 1.147 0.000 -1.118) 1.601 6.472 ( -4.136 0.000 1.354) 4.353 6.594 ( -2.924 0.000 -3.346) 4.444 6.599 ( -0.698 0.000 -0.234) 0.736 6.623 ( -4.794 0.000 -3.138) 5.730 6.677 ( 7.402 0.000 -1.074) 7.480 6.737 ( -2.270 0.000 -3.913) 4.524 6.812 ( -7.538 0.000 -7.545) 10.665 6.874 ( -0.689 0.000 -2.794) 2.878 6.969 ( 34.730 0.000 0.178) 34.731 7.021 ( -3.624 0.000 -2.481) 4.392 7.412 ( 8.701 0.000 4.179) 9.652 7.430 ( 5.613 0.000 5.329) 7.739 7.653 ( 5.084 0.000 0.937) 5.170 7.740 ( -5.331 0.000 -0.391) 5.345 7.743 ( 1.148 0.000 1.128) 1.610 8.142 ( 3.368 0.000 9.129) 9.730 8.169 ( 2.079 0.000 -5.608) 5.981 8.606 ( -18.674 0.000 -3.312) 18.966 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 8.190 0.000 23.894) 25.259 0.972 ( 8.071 0.000 22.727) 24.117 1.501 ( 13.788 0.000 26.654) 30.009 1.572 ( -4.537 0.000 -6.830) 8.199 1.601 ( -2.554 0.000 -19.536) 19.702 1.932 ( 4.144 0.000 -1.842) 4.534 1.976 ( 4.343 0.000 -0.345) 4.357 2.090 ( 7.526 0.000 1.371) 7.650 2.151 ( -0.759 0.000 -4.602) 4.664 2.161 ( 5.083 0.000 -1.817) 5.398 2.239 ( 3.822 0.000 -3.604) 5.254 2.274 ( 5.817 0.000 0.503) 5.839 2.310 ( -0.382 0.000 -8.331) 8.340 2.405 ( -0.664 0.000 -2.572) 2.657 2.520 ( -1.195 0.000 -3.139) 3.359 2.532 ( 2.516 0.000 4.636) 5.275 2.639 ( 0.902 0.000 -1.256) 1.546 2.668 ( 0.114 0.000 -2.037) 2.040 2.696 ( 0.118 0.000 2.300) 2.303 2.765 ( -1.381 0.000 5.679) 5.845 2.767 ( 1.973 0.000 0.210) 1.985 2.827 ( 2.781 0.000 4.394) 5.200 2.828 ( 1.479 0.000 -1.269) 1.949 2.836 ( 0.129 0.000 0.554) 0.569 2.885 ( 1.230 0.000 -3.123) 3.357 2.934 ( -0.024 0.000 -0.227) 0.228 2.981 ( -0.254 0.000 0.500) 0.561 2.998 ( 1.152 0.000 -0.227) 1.175 3.021 ( -1.709 0.000 -4.922) 5.211 3.077 ( -1.192 0.000 -1.547) 1.953 3.167 ( 0.796 0.000 -3.383) 3.476 3.188 ( 0.234 0.000 -6.226) 6.230 3.240 ( 0.386 0.000 -0.753) 0.847 3.339 ( 0.576 0.000 -4.059) 4.100 3.503 ( 1.577 0.000 2.770) 3.187 3.541 ( -0.671 0.000 -0.451) 0.808 3.692 ( -0.331 0.000 2.269) 2.293 3.734 ( 0.266 0.000 -1.109) 1.141 3.826 ( -0.888 0.000 4.911) 4.990 3.843 ( -4.519 0.000 0.537) 4.551 4.276 ( -2.422 0.000 4.111) 4.771 4.368 ( -4.698 0.000 -1.416) 4.906 4.404 ( 0.742 0.000 3.663) 3.737 4.425 ( -3.090 0.000 -0.589) 3.146 4.499 ( 1.805 0.000 0.103) 1.808 4.508 ( -4.467 0.000 -0.059) 4.467 4.559 ( -0.525 0.000 -3.354) 3.395 4.683 ( 2.180 0.000 -1.533) 2.665 4.912 ( -1.418 0.000 3.224) 3.522 4.938 ( -5.406 0.000 1.931) 5.740 5.068 ( -3.316 0.000 -1.827) 3.786 5.075 ( 1.700 0.000 1.707) 2.409 5.168 ( 2.817 0.000 2.928) 4.063 5.244 ( -3.133 0.000 -1.835) 3.631 5.321 ( 1.259 0.000 6.586) 6.705 5.431 ( -8.060 0.000 -4.788) 9.375 5.448 ( -0.005 0.000 -0.992) 0.992 5.519 ( -0.153 0.000 -2.813) 2.818 5.599 ( 6.290 0.000 8.913) 10.909 5.634 ( -0.551 0.000 0.776) 0.952 5.718 ( -1.251 0.000 0.134) 1.258 5.734 ( -6.664 0.000 -4.768) 8.194 5.754 ( -1.810 0.000 -3.576) 4.008 5.790 ( 1.098 0.000 0.085) 1.102 5.831 ( -0.801 0.000 0.273) 0.846 5.906 ( 2.220 0.000 1.810) 2.864 5.960 ( -2.834 0.000 -2.521) 3.793 5.974 ( 5.459 0.000 2.163) 5.871 6.027 ( -7.956 0.000 -7.243) 10.759 6.065 ( 3.434 0.000 -1.219) 3.644 6.148 ( -4.025 0.000 -1.046) 4.159 6.158 ( 1.835 0.000 0.874) 2.033 6.252 ( -0.449 0.000 1.331) 1.405 6.280 ( -1.923 0.000 -0.726) 2.055 6.317 ( 4.524 0.000 3.312) 5.607 6.322 ( -2.177 0.000 -0.375) 2.209 6.411 ( -2.745 0.000 1.681) 3.219 6.464 ( 1.193 0.000 0.826) 1.451 6.518 ( -1.045 0.000 -0.903) 1.381 6.549 ( -0.507 0.000 0.514) 0.722 6.563 ( 4.863 0.000 3.236) 5.841 6.573 ( -0.808 0.000 2.365) 2.499 6.668 ( 1.079 0.000 -4.613) 4.738 6.689 ( -0.661 0.000 -1.740) 1.861 6.727 ( -0.410 0.000 -1.005) 1.085 6.806 ( -1.800 0.000 -3.807) 4.211 6.895 ( -6.416 0.000 -3.760) 7.436 7.305 ( 20.597 0.000 -13.351) 24.545 7.496 ( -1.981 0.000 -1.528) 2.502 7.573 ( 5.306 0.000 3.037) 6.114 7.627 ( -6.675 0.000 -3.951) 7.757 7.734 ( -0.165 0.000 2.500) 2.506 7.817 ( 9.909 0.000 2.175) 10.144 8.115 ( -0.198 0.000 -4.740) 4.744 8.398 ( 12.160 0.000 11.459) 16.709 8.406 ( -5.007 0.000 -0.193) 5.010 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -2.981 0.000 -16.993) 17.252 1.302 ( -0.475 0.000 -1.560) 1.630 1.350 ( 5.709 0.000 13.885) 15.012 1.358 ( 7.440 0.000 17.436) 18.957 1.871 ( -4.204 0.000 -7.647) 8.727 1.968 ( 0.025 0.000 -9.067) 9.067 2.062 ( 2.950 0.000 -4.135) 5.080 2.076 ( 8.403 0.000 8.746) 12.128 2.148 ( 4.293 0.000 0.552) 4.328 2.242 ( 4.460 0.000 2.372) 5.051 2.272 ( 8.259 0.000 0.839) 8.302 2.293 ( 10.879 0.000 0.436) 10.888 2.412 ( 7.414 0.000 -2.636) 7.868 2.463 ( 9.396 0.000 6.374) 11.353 2.527 ( 2.287 0.000 4.625) 5.160 2.613 ( 2.249 0.000 -1.521) 2.715 2.637 ( -0.443 0.000 -0.845) 0.954 2.696 ( 7.137 0.000 3.131) 7.793 2.736 ( -0.155 0.000 1.336) 1.345 2.801 ( 3.622 0.000 -1.418) 3.890 2.805 ( 2.852 0.000 -7.123) 7.673 2.818 ( -2.221 0.000 1.422) 2.637 2.865 ( 2.880 0.000 1.381) 3.194 2.866 ( 1.530 0.000 2.205) 2.684 2.913 ( 0.460 0.000 1.148) 1.237 2.935 ( 1.494 0.000 0.692) 1.647 2.954 ( -1.158 0.000 -1.103) 1.599 3.021 ( 3.723 0.000 4.934) 6.181 3.031 ( 0.629 0.000 0.891) 1.091 3.067 ( 2.960 0.000 0.162) 2.964 3.133 ( 0.727 0.000 -3.671) 3.742 3.157 ( 3.507 0.000 -2.580) 4.354 3.229 ( -0.963 0.000 -0.939) 1.345 3.291 ( -0.036 0.000 -2.977) 2.977 3.465 ( -5.337 0.000 -4.549) 7.013 3.515 ( -3.111 0.000 -1.531) 3.467 3.662 ( -3.562 0.000 -0.917) 3.678 3.683 ( -5.948 0.000 -1.632) 6.167 3.779 ( -3.924 0.000 -0.447) 3.949 3.819 ( -4.552 0.000 1.042) 4.669 4.218 ( -9.576 0.000 -3.402) 10.163 4.317 ( 0.135 0.000 5.641) 5.642 4.394 ( -3.464 0.000 -1.915) 3.958 4.469 ( -0.166 0.000 1.807) 1.814 4.475 ( -1.471 0.000 4.538) 4.770 4.515 ( 1.323 0.000 0.756) 1.524 4.538 ( 1.626 0.000 -1.698) 2.351 4.699 ( 1.460 0.000 -0.530) 1.553 4.840 ( -9.205 0.000 -0.885) 9.247 4.889 ( -3.442 0.000 -1.320) 3.686 5.008 ( -3.358 0.000 0.214) 3.365 5.108 ( 0.186 0.000 0.846) 0.867 5.181 ( -1.520 0.000 -1.406) 2.071 5.216 ( -10.953 0.000 -6.448) 12.709 5.242 ( 1.674 0.000 3.057) 3.485 5.286 ( -6.546 0.000 -3.710) 7.524 5.459 ( -2.024 0.000 -3.412) 3.967 5.467 ( -0.784 0.000 3.378) 3.467 5.508 ( -8.870 0.000 -7.051) 11.331 5.607 ( -0.333 0.000 0.419) 0.535 5.654 ( -1.588 0.000 -3.001) 3.395 5.731 ( -2.359 0.000 0.185) 2.366 5.793 ( -4.061 0.000 -5.709) 7.006 5.799 ( 0.716 0.000 -0.389) 0.815 5.812 ( 4.770 0.000 5.075) 6.965 5.867 ( 0.281 0.000 0.457) 0.536 5.919 ( 0.211 0.000 -0.327) 0.390 5.965 ( -0.619 0.000 0.332) 0.702 6.071 ( 3.258 0.000 4.922) 5.903 6.124 ( 0.448 0.000 0.796) 0.913 6.125 ( 3.311 0.000 0.608) 3.366 6.214 ( 2.001 0.000 2.712) 3.371 6.254 ( -0.262 0.000 -0.910) 0.947 6.262 ( -0.656 0.000 1.242) 1.405 6.295 ( -1.180 0.000 -0.340) 1.228 6.361 ( -2.576 0.000 0.254) 2.589 6.472 ( -1.570 0.000 -0.201) 1.583 6.531 ( 6.412 0.000 7.131) 9.590 6.554 ( 0.984 0.000 -0.117) 0.990 6.568 ( 7.200 0.000 6.536) 9.724 6.602 ( 1.600 0.000 1.124) 1.955 6.617 ( 0.574 0.000 -5.443) 5.473 6.664 ( 0.319 0.000 -0.031) 0.321 6.667 ( 1.123 0.000 1.519) 1.889 6.731 ( 0.289 0.000 2.534) 2.550 6.742 ( 0.476 0.000 -3.549) 3.580 6.856 ( 3.549 0.000 4.725) 5.909 7.224 ( -4.181 0.000 -12.770) 13.437 7.362 ( -7.324 0.000 -7.703) 10.629 7.439 ( -9.608 0.000 -6.815) 11.780 7.671 ( 5.190 0.000 0.685) 5.235 7.759 ( -0.756 0.000 3.362) 3.446 7.987 ( 9.040 0.000 1.800) 9.218 8.077 ( 3.418 0.000 -4.791) 5.885 8.412 ( 4.552 0.000 -1.284) 4.730 8.695 ( 10.728 0.000 8.114) 13.451 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 5.172 0.000 -6.985) 8.691 1.162 ( 2.529 0.000 -8.615) 8.978 1.657 ( -7.760 0.000 -7.801) 11.003 1.658 ( -10.407 0.000 -17.654) 20.493 1.685 ( 5.414 0.000 13.284) 14.345 1.778 ( 10.454 0.000 22.258) 24.591 2.080 ( 1.042 0.000 2.337) 2.559 2.212 ( 2.424 0.000 0.665) 2.513 2.221 ( 3.683 0.000 0.550) 3.724 2.301 ( -0.156 0.000 5.240) 5.242 2.422 ( 7.393 0.000 0.681) 7.425 2.492 ( 14.304 0.000 -0.643) 14.319 2.524 ( 9.453 0.000 -1.617) 9.590 2.553 ( -0.369 0.000 3.790) 3.808 2.599 ( 2.335 0.000 -5.789) 6.243 2.623 ( -1.448 0.000 -0.484) 1.526 2.665 ( -2.435 0.000 -7.152) 7.555 2.698 ( -0.231 0.000 2.911) 2.920 2.741 ( 1.064 0.000 0.085) 1.067 2.762 ( 0.079 0.000 -0.190) 0.206 2.803 ( -0.083 0.000 -3.373) 3.374 2.879 ( 7.273 0.000 -1.854) 7.506 2.904 ( -3.935 0.000 2.203) 4.510 2.920 ( 4.458 0.000 2.595) 5.159 2.962 ( 1.724 0.000 2.669) 3.177 3.000 ( 4.520 0.000 3.174) 5.523 3.051 ( 12.406 0.000 5.958) 13.763 3.052 ( -0.798 0.000 -0.518) 0.951 3.090 ( 1.134 0.000 -0.815) 1.397 3.121 ( 0.041 0.000 -0.492) 0.493 3.154 ( 4.638 0.000 2.385) 5.216 3.202 ( 5.456 0.000 -1.025) 5.552 3.226 ( 2.853 0.000 3.285) 4.351 3.266 ( -1.885 0.000 -1.041) 2.154 3.296 ( -6.268 0.000 -4.962) 7.994 3.344 ( -10.936 0.000 -5.713) 12.338 3.542 ( -10.215 0.000 -1.438) 10.316 3.647 ( -0.132 0.000 1.426) 1.432 3.741 ( -0.700 0.000 -0.804) 1.066 3.744 ( -5.218 0.000 -1.483) 5.424 4.068 ( -5.510 0.000 -1.391) 5.683 4.324 ( -2.794 0.000 -0.582) 2.854 4.396 ( 0.720 0.000 1.447) 1.616 4.426 ( -2.794 0.000 -0.887) 2.931 4.506 ( -0.246 0.000 -1.970) 1.985 4.543 ( -0.501 0.000 0.914) 1.043 4.582 ( 2.958 0.000 5.441) 6.193 4.692 ( -8.060 0.000 -1.562) 8.210 4.695 ( 0.256 0.000 -3.346) 3.356 4.834 ( -1.030 0.000 0.868) 1.347 4.988 ( -2.178 0.000 0.176) 2.185 5.025 ( -4.171 0.000 -2.374) 4.799 5.099 ( -1.402 0.000 -0.319) 1.437 5.162 ( 0.128 0.000 -1.434) 1.439 5.183 ( -2.194 0.000 0.200) 2.203 5.274 ( -0.243 0.000 -0.195) 0.311 5.387 ( -1.248 0.000 -0.515) 1.350 5.414 ( -0.087 0.000 0.078) 0.117 5.466 ( -1.686 0.000 1.261) 2.106 5.610 ( -0.526 0.000 -0.036) 0.528 5.624 ( 0.292 0.000 -0.268) 0.397 5.691 ( -1.739 0.000 -4.179) 4.527 5.742 ( 0.624 0.000 3.975) 4.024 5.793 ( 0.701 0.000 -1.736) 1.872 5.883 ( 1.056 0.000 1.030) 1.475 5.885 ( 0.738 0.000 0.198) 0.765 5.920 ( 0.164 0.000 0.417) 0.448 5.947 ( -0.931 0.000 -0.700) 1.165 6.116 ( -0.356 0.000 -3.092) 3.113 6.144 ( 0.084 0.000 0.641) 0.646 6.172 ( 1.073 0.000 1.663) 1.979 6.246 ( 0.398 0.000 -0.347) 0.528 6.255 ( -0.230 0.000 -0.146) 0.272 6.268 ( -1.001 0.000 1.397) 1.719 6.279 ( -0.619 0.000 -0.491) 0.790 6.315 ( -1.815 0.000 -1.647) 2.451 6.445 ( -0.868 0.000 -0.632) 1.074 6.553 ( 1.140 0.000 -5.539) 5.655 6.571 ( 0.651 0.000 -0.891) 1.104 6.574 ( -0.314 0.000 -0.960) 1.010 6.592 ( -0.607 0.000 -0.394) 0.723 6.683 ( 1.383 0.000 0.090) 1.386 6.718 ( -0.807 0.000 0.758) 1.107 6.744 ( 0.349 0.000 1.333) 1.378 6.783 ( 4.360 0.000 2.367) 4.961 6.877 ( 9.182 0.000 12.932) 15.860 6.990 ( -7.592 0.000 -4.966) 9.072 7.037 ( 3.576 0.000 0.020) 3.576 7.170 ( -3.127 0.000 1.607) 3.516 7.261 ( -4.444 0.000 0.789) 4.513 7.719 ( 3.431 0.000 -2.928) 4.511 7.800 ( -1.307 0.000 4.987) 5.155 8.065 ( 4.603 0.000 -6.404) 7.886 8.088 ( 4.355 0.000 -0.702) 4.411 8.453 ( 4.250 0.000 -2.770) 5.073 8.853 ( 2.781 0.000 0.828) 2.902 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 10.509 0.000 -3.320) 11.021 1.276 ( 15.726 0.000 7.173) 17.284 1.278 ( -15.114 0.000 -13.611) 20.340 1.364 ( -13.283 0.000 -11.744) 17.730 1.943 ( 4.648 0.000 12.404) 13.247 2.114 ( -1.732 0.000 3.574) 3.972 2.169 ( 7.411 0.000 16.112) 17.735 2.216 ( -0.960 0.000 -2.563) 2.737 2.283 ( 0.302 0.000 3.744) 3.756 2.375 ( -0.619 0.000 6.872) 6.899 2.432 ( -2.208 0.000 -7.597) 7.911 2.449 ( -1.896 0.000 -3.927) 4.360 2.555 ( -2.046 0.000 -3.605) 4.144 2.566 ( -6.282 0.000 2.253) 6.674 2.589 ( -0.463 0.000 -3.025) 3.060 2.601 ( 1.703 0.000 -1.201) 2.084 2.670 ( -4.582 0.000 -0.897) 4.669 2.681 ( 4.316 0.000 -1.262) 4.497 2.736 ( -1.419 0.000 -1.371) 1.973 2.743 ( 0.311 0.000 -4.390) 4.401 2.797 ( 3.857 0.000 0.783) 3.935 2.826 ( -1.974 0.000 -4.693) 5.091 2.881 ( -1.554 0.000 1.426) 2.109 2.917 ( -2.142 0.000 -2.786) 3.514 2.990 ( -1.471 0.000 -0.397) 1.524 3.012 ( -0.532 0.000 1.403) 1.500 3.022 ( -2.153 0.000 -2.355) 3.191 3.080 ( -8.801 0.000 -2.779) 9.229 3.116 ( -5.026 0.000 -2.184) 5.480 3.138 ( 2.738 0.000 -0.768) 2.844 3.168 ( -2.428 0.000 -0.724) 2.533 3.207 ( 2.585 0.000 4.913) 5.551 3.227 ( 2.412 0.000 0.770) 2.532 3.320 ( 6.919 0.000 0.930) 6.981 3.368 ( 5.040 0.000 3.844) 6.338 3.410 ( 8.692 0.000 6.461) 10.830 3.443 ( 2.753 0.000 2.009) 3.408 3.626 ( -3.038 0.000 -1.163) 3.253 3.696 ( 0.837 0.000 -1.514) 1.730 3.724 ( 0.948 0.000 -2.175) 2.373 4.075 ( 3.590 0.000 3.795) 5.224 4.277 ( -5.349 0.000 -6.260) 8.234 4.307 ( 0.942 0.000 -1.062) 1.419 4.438 ( -1.747 0.000 -2.273) 2.867 4.465 ( -0.424 0.000 -0.559) 0.702 4.542 ( -0.362 0.000 1.763) 1.800 4.595 ( -4.330 0.000 0.589) 4.370 4.657 ( 2.072 0.000 -2.578) 3.307 4.715 ( 3.507 0.000 5.087) 6.179 4.868 ( 0.620 0.000 0.550) 0.828 4.931 ( 0.910 0.000 -0.789) 1.204 5.083 ( 4.872 0.000 4.419) 6.577 5.085 ( 0.681 0.000 -0.117) 0.691 5.153 ( 1.292 0.000 -0.163) 1.302 5.229 ( -1.114 0.000 -2.934) 3.138 5.242 ( 1.392 0.000 2.658) 3.001 5.429 ( 2.171 0.000 6.714) 7.056 5.460 ( 2.440 0.000 3.482) 4.252 5.483 ( 0.823 0.000 2.912) 3.026 5.620 ( -1.279 0.000 -0.535) 1.386 5.651 ( 4.000 0.000 1.931) 4.442 5.654 ( 2.249 0.000 2.263) 3.190 5.778 ( 0.934 0.000 -2.275) 2.459 5.809 ( 0.705 0.000 2.667) 2.758 5.871 ( -5.482 0.000 -3.941) 6.751 5.871 ( -1.183 0.000 -1.289) 1.750 5.908 ( -0.661 0.000 -0.836) 1.066 5.947 ( 1.072 0.000 0.740) 1.303 6.033 ( -0.191 0.000 -3.259) 3.264 6.133 ( -1.499 0.000 -0.773) 1.687 6.179 ( -1.846 0.000 -0.866) 2.039 6.216 ( -1.404 0.000 -2.934) 3.253 6.236 ( -1.100 0.000 -1.487) 1.849 6.246 ( 0.185 0.000 -1.140) 1.155 6.280 ( 1.117 0.000 1.064) 1.542 6.300 ( 1.011 0.000 -1.190) 1.561 6.432 ( 0.209 0.000 -1.238) 1.256 6.507 ( 0.269 0.000 -3.100) 3.112 6.535 ( -0.006 0.000 -2.845) 2.845 6.602 ( 0.730 0.000 0.848) 1.119 6.605 ( 1.668 0.000 1.582) 2.299 6.649 ( -6.444 0.000 -9.285) 11.302 6.685 ( -1.621 0.000 -0.687) 1.761 6.709 ( -0.260 0.000 -1.423) 1.446 6.752 ( -1.908 0.000 0.161) 1.915 6.829 ( -4.319 0.000 -1.264) 4.500 6.872 ( -5.232 0.000 -5.904) 7.889 7.287 ( 9.648 0.000 19.849) 22.070 7.380 ( 6.289 0.000 11.661) 13.249 7.408 ( 6.216 0.000 13.250) 14.636 7.696 ( 2.848 0.000 -5.293) 6.011 7.841 ( -2.988 0.000 5.463) 6.227 8.025 ( 3.189 0.000 -8.826) 9.385 8.087 ( -1.252 0.000 -2.619) 2.903 8.447 ( 1.360 0.000 -4.161) 4.378 8.778 ( -6.406 0.000 -8.476) 10.625 ======================= Grid point 68 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -19.657 0.000 -5.140) 20.318 1.001 ( -17.157 0.000 -11.889) 20.874 1.340 ( 14.382 0.000 0.658) 14.397 1.637 ( 18.413 0.000 8.352) 20.219 1.925 ( -29.697 0.000 -14.348) 32.982 2.080 ( -1.904 0.000 0.541) 1.980 2.133 ( -4.433 0.000 3.988) 5.963 2.174 ( 1.392 0.000 4.251) 4.473 2.352 ( -7.048 0.000 2.302) 7.414 2.373 ( -4.984 0.000 0.551) 5.014 2.394 ( -2.056 0.000 1.699) 2.667 2.444 ( -1.316 0.000 3.414) 3.659 2.508 ( -1.919 0.000 3.120) 3.663 2.530 ( -5.441 0.000 2.541) 6.005 2.567 ( -8.254 0.000 -4.518) 9.409 2.589 ( 2.000 0.000 -5.479) 5.832 2.590 ( -2.544 0.000 3.459) 4.294 2.630 ( 2.001 0.000 1.418) 2.453 2.704 ( 1.664 0.000 2.078) 2.662 2.706 ( -2.766 0.000 -0.073) 2.767 2.794 ( -0.688 0.000 -2.421) 2.517 2.831 ( -0.660 0.000 -3.382) 3.446 2.858 ( -0.946 0.000 -0.611) 1.126 2.862 ( -1.461 0.000 -0.039) 1.461 2.930 ( -2.676 0.000 -1.865) 3.262 2.955 ( -1.560 0.000 0.512) 1.642 3.019 ( 0.288 0.000 2.082) 2.102 3.048 ( 0.135 0.000 0.744) 0.756 3.087 ( -0.272 0.000 2.900) 2.912 3.110 ( -1.807 0.000 1.047) 2.088 3.222 ( 3.816 0.000 0.239) 3.823 3.226 ( -0.725 0.000 -1.451) 1.622 3.278 ( 1.032 0.000 4.808) 4.917 3.337 ( 1.229 0.000 0.950) 1.553 3.488 ( -1.118 0.000 -2.780) 2.996 3.493 ( 5.032 0.000 0.492) 5.056 3.617 ( 9.845 0.000 3.387) 10.411 3.624 ( 0.426 0.000 -2.142) 2.184 3.660 ( 2.195 0.000 -4.659) 5.150 3.711 ( 2.619 0.000 -3.092) 4.052 4.159 ( -0.833 0.000 -3.392) 3.493 4.208 ( 7.273 0.000 3.671) 8.147 4.316 ( 4.037 0.000 -1.291) 4.239 4.353 ( -1.857 0.000 -4.414) 4.789 4.514 ( -1.144 0.000 5.501) 5.619 4.537 ( -2.297 0.000 -1.245) 2.613 4.565 ( 1.568 0.000 0.477) 1.639 4.685 ( 3.236 0.000 0.700) 3.311 4.788 ( 1.887 0.000 0.791) 2.046 4.840 ( -0.309 0.000 -3.262) 3.276 5.002 ( 4.761 0.000 3.500) 5.909 5.092 ( -1.393 0.000 -1.857) 2.322 5.152 ( -0.340 0.000 -3.536) 3.552 5.175 ( 1.956 0.000 -0.531) 2.027 5.226 ( -1.556 0.000 -4.001) 4.293 5.248 ( 8.625 0.000 4.501) 9.729 5.538 ( 1.848 0.000 2.999) 3.523 5.541 ( -0.986 0.000 4.175) 4.290 5.623 ( 5.817 0.000 4.140) 7.140 5.641 ( 2.562 0.000 7.292) 7.729 5.652 ( -7.968 0.000 -7.428) 10.894 5.722 ( -0.354 0.000 2.181) 2.210 5.746 ( 3.778 0.000 2.941) 4.788 5.775 ( 1.487 0.000 -0.055) 1.488 5.834 ( -1.456 0.000 -0.811) 1.667 5.885 ( 7.197 0.000 4.524) 8.500 5.891 ( -1.110 0.000 -2.234) 2.495 5.987 ( 1.024 0.000 2.796) 2.978 6.046 ( -1.540 0.000 -0.586) 1.647 6.088 ( -1.127 0.000 -2.484) 2.727 6.098 ( -0.287 0.000 -1.178) 1.212 6.163 ( -0.213 0.000 -4.504) 4.509 6.220 ( -0.122 0.000 -0.858) 0.867 6.236 ( 0.927 0.000 -1.309) 1.604 6.300 ( -0.460 0.000 -0.423) 0.625 6.311 ( 2.436 0.000 -0.345) 2.460 6.406 ( -7.378 0.000 -6.172) 9.619 6.429 ( 2.761 0.000 -0.359) 2.784 6.493 ( -1.098 0.000 -2.659) 2.876 6.506 ( 0.513 0.000 -0.168) 0.539 6.580 ( -2.164 0.000 -0.333) 2.189 6.655 ( -3.136 0.000 -1.041) 3.304 6.663 ( 2.655 0.000 1.723) 3.165 6.716 ( 1.489 0.000 -0.664) 1.631 6.754 ( 0.146 0.000 3.694) 3.697 6.813 ( 0.806 0.000 1.054) 1.327 6.862 ( 3.380 0.000 5.767) 6.685 7.430 ( 2.396 0.000 -14.544) 14.740 7.556 ( 0.731 0.000 7.183) 7.220 7.606 ( 3.254 0.000 9.304) 9.857 7.837 ( -4.576 0.000 0.748) 4.636 7.876 ( 1.906 0.000 12.505) 12.649 7.920 ( 5.240 0.000 -2.228) 5.694 8.008 ( -6.337 0.000 0.037) 6.337 8.392 ( -0.989 0.000 -4.314) 4.426 8.486 ( -11.836 0.000 -15.807) 19.747 ======================= Grid point 69 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -20.558 0.000 -7.603) 21.919 0.627 ( -23.345 0.000 6.738) 24.298 1.256 ( -40.260 0.000 -8.668) 41.183 1.566 ( 13.856 0.000 1.338) 13.920 1.857 ( 11.741 0.000 -9.172) 14.899 2.084 ( -4.090 0.000 7.719) 8.735 2.099 ( -6.320 0.000 0.956) 6.392 2.216 ( -7.118 0.000 3.920) 8.126 2.263 ( -8.401 0.000 -2.947) 8.903 2.263 ( -6.834 0.000 -3.886) 7.862 2.315 ( -4.351 0.000 -0.172) 4.355 2.393 ( 0.939 0.000 2.061) 2.265 2.464 ( -8.101 0.000 4.982) 9.510 2.509 ( -4.343 0.000 5.082) 6.685 2.525 ( 0.804 0.000 -3.292) 3.388 2.551 ( -3.977 0.000 3.608) 5.369 2.596 ( -4.201 0.000 -1.021) 4.323 2.668 ( 3.045 0.000 0.891) 3.173 2.691 ( -1.875 0.000 2.604) 3.209 2.713 ( -1.877 0.000 -2.788) 3.361 2.743 ( -0.722 0.000 -0.551) 0.908 2.769 ( -0.752 0.000 -1.662) 1.824 2.857 ( -0.132 0.000 1.144) 1.151 2.898 ( 0.523 0.000 -2.281) 2.340 2.931 ( 4.018 0.000 4.371) 5.937 2.990 ( -2.656 0.000 0.170) 2.661 3.027 ( -2.323 0.000 1.304) 2.664 3.053 ( 1.830 0.000 4.862) 5.195 3.153 ( 2.675 0.000 3.028) 4.040 3.159 ( 3.336 0.000 5.991) 6.858 3.222 ( -0.056 0.000 -3.981) 3.982 3.231 ( 2.824 0.000 0.974) 2.987 3.350 ( 0.944 0.000 -2.336) 2.519 3.395 ( 3.051 0.000 6.374) 7.067 3.406 ( -0.984 0.000 -5.700) 5.785 3.472 ( -2.850 0.000 -5.044) 5.793 3.505 ( -3.095 0.000 -7.962) 8.543 3.628 ( -0.260 0.000 -4.201) 4.209 3.730 ( 5.616 0.000 0.203) 5.619 3.767 ( 5.326 0.000 0.185) 5.329 4.151 ( 1.181 0.000 -1.992) 2.316 4.325 ( 3.444 0.000 0.078) 3.445 4.330 ( 6.022 0.000 -0.350) 6.032 4.413 ( 6.470 0.000 4.289) 7.763 4.471 ( -2.311 0.000 -3.027) 3.808 4.501 ( -2.634 0.000 1.675) 3.122 4.678 ( 5.614 0.000 3.478) 6.604 4.735 ( 1.842 0.000 1.036) 2.113 4.795 ( -0.710 0.000 -3.032) 3.114 4.811 ( 1.844 0.000 -0.607) 1.941 5.000 ( -1.925 0.000 -5.383) 5.717 5.086 ( 0.215 0.000 0.361) 0.420 5.117 ( -1.767 0.000 -1.571) 2.365 5.157 ( -0.925 0.000 -3.382) 3.506 5.183 ( 4.216 0.000 -0.422) 4.237 5.407 ( 7.430 0.000 0.254) 7.434 5.506 ( -3.626 0.000 -1.957) 4.120 5.510 ( -2.240 0.000 -1.220) 2.551 5.585 ( -0.190 0.000 0.886) 0.906 5.614 ( -3.745 0.000 -1.388) 3.994 5.710 ( -1.353 0.000 -1.723) 2.191 5.747 ( -2.972 0.000 -4.939) 5.764 5.812 ( -0.065 0.000 -0.862) 0.864 5.822 ( 6.210 0.000 7.915) 10.060 5.848 ( 1.884 0.000 0.946) 2.108 5.929 ( 2.227 0.000 6.753) 7.111 5.965 ( -1.481 0.000 -1.929) 2.433 5.995 ( 2.942 0.000 2.654) 3.963 6.044 ( 4.501 0.000 -0.444) 4.523 6.052 ( -0.279 0.000 -11.713) 11.716 6.165 ( 2.987 0.000 2.253) 3.742 6.174 ( 6.648 0.000 5.558) 8.665 6.214 ( 0.649 0.000 -0.019) 0.650 6.233 ( 0.609 0.000 -0.612) 0.864 6.272 ( -0.416 0.000 -2.117) 2.157 6.285 ( -3.232 0.000 -2.111) 3.860 6.355 ( 2.482 0.000 1.029) 2.687 6.412 ( -3.494 0.000 -2.166) 4.111 6.532 ( 3.201 0.000 5.368) 6.250 6.547 ( 3.333 0.000 2.240) 4.015 6.560 ( -0.005 0.000 0.985) 0.985 6.619 ( -1.434 0.000 -0.220) 1.451 6.709 ( 2.132 0.000 0.363) 2.163 6.740 ( 2.474 0.000 -0.189) 2.481 6.807 ( 1.952 0.000 4.056) 4.501 6.851 ( 2.340 0.000 1.087) 2.580 7.047 ( 3.039 0.000 11.745) 12.132 7.115 ( 0.557 0.000 -38.895) 38.899 7.552 ( -7.533 0.000 -1.789) 7.743 7.644 ( -7.096 0.000 -15.090) 16.675 7.735 ( -4.727 0.000 -3.990) 6.186 7.741 ( -0.581 0.000 5.962) 5.991 7.909 ( -9.457 0.000 -3.277) 10.009 8.145 ( -8.358 0.000 -8.453) 11.887 8.261 ( 1.839 0.000 5.420) 5.724 8.386 ( 2.748 0.000 18.273) 18.478 ======================= Grid point 70 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -15.469 0.000 14.013) 20.873 0.392 ( -24.050 0.000 5.727) 24.722 0.759 ( -36.715 0.000 26.136) 45.067 1.759 ( 11.078 0.000 1.016) 11.125 1.855 ( 7.041 0.000 -7.952) 10.621 1.982 ( -6.975 0.000 -3.913) 7.998 1.998 ( -7.622 0.000 -4.047) 8.630 2.100 ( -5.605 0.000 -3.403) 6.557 2.149 ( -4.970 0.000 -0.059) 4.971 2.228 ( -0.877 0.000 1.509) 1.745 2.262 ( -3.866 0.000 0.116) 3.868 2.390 ( -3.693 0.000 -3.461) 5.062 2.440 ( -2.194 0.000 0.781) 2.329 2.481 ( -4.789 0.000 -2.311) 5.318 2.524 ( -0.567 0.000 5.104) 5.136 2.538 ( -1.438 0.000 2.926) 3.260 2.595 ( -0.429 0.000 5.631) 5.647 2.657 ( -0.205 0.000 0.198) 0.284 2.691 ( -4.653 0.000 4.662) 6.586 2.727 ( 0.101 0.000 -0.160) 0.189 2.741 ( 1.295 0.000 1.852) 2.260 2.765 ( 0.982 0.000 -0.657) 1.182 2.859 ( 0.609 0.000 -1.487) 1.607 2.890 ( -1.133 0.000 0.706) 1.335 2.931 ( -2.282 0.000 -0.691) 2.384 2.998 ( -1.803 0.000 -0.039) 1.804 3.023 ( 1.505 0.000 -2.033) 2.530 3.081 ( -3.137 0.000 -3.781) 4.913 3.144 ( 3.338 0.000 -2.397) 4.109 3.206 ( 1.408 0.000 -3.770) 4.025 3.264 ( 0.169 0.000 -3.534) 3.538 3.287 ( 0.924 0.000 -0.724) 1.174 3.328 ( 2.044 0.000 -0.870) 2.222 3.359 ( 1.221 0.000 -1.367) 1.833 3.375 ( -0.248 0.000 -0.150) 0.290 3.400 ( 0.752 0.000 -1.284) 1.488 3.492 ( 1.258 0.000 3.443) 3.666 3.629 ( 0.552 0.000 4.860) 4.891 3.791 ( 1.649 0.000 -3.165) 3.569 3.816 ( 3.910 0.000 1.726) 4.274 4.143 ( 1.740 0.000 0.217) 1.754 4.361 ( 0.303 0.000 -0.042) 0.306 4.390 ( 2.429 0.000 0.434) 2.467 4.428 ( 1.037 0.000 2.107) 2.349 4.517 ( 2.174 0.000 1.018) 2.401 4.549 ( 2.656 0.000 3.672) 4.532 4.712 ( 1.267 0.000 -6.341) 6.466 4.714 ( -2.421 0.000 -2.919) 3.793 4.776 ( 2.200 0.000 0.699) 2.308 4.856 ( 1.574 0.000 3.685) 4.007 4.956 ( 0.410 0.000 1.647) 1.698 5.077 ( 0.508 0.000 0.808) 0.955 5.095 ( 1.718 0.000 0.151) 1.724 5.121 ( 0.243 0.000 -1.509) 1.528 5.259 ( 2.427 0.000 1.480) 2.843 5.341 ( -9.450 0.000 -19.754) 21.898 5.433 ( -2.014 0.000 -1.736) 2.659 5.469 ( -4.335 0.000 -4.028) 5.918 5.552 ( -1.693 0.000 -1.080) 2.008 5.573 ( -1.616 0.000 0.440) 1.675 5.648 ( -2.318 0.000 -7.093) 7.462 5.686 ( 0.713 0.000 -1.636) 1.785 5.696 ( 0.181 0.000 0.602) 0.628 5.844 ( -0.589 0.000 -0.738) 0.944 5.871 ( -0.981 0.000 -1.113) 1.484 5.911 ( -0.064 0.000 -0.197) 0.207 5.946 ( -0.976 0.000 -1.342) 1.660 5.964 ( 1.289 0.000 -0.190) 1.303 6.092 ( 1.465 0.000 -1.814) 2.332 6.136 ( 3.833 0.000 9.032) 9.812 6.214 ( -0.244 0.000 -1.614) 1.633 6.216 ( 0.279 0.000 -1.396) 1.423 6.227 ( 1.943 0.000 2.476) 3.147 6.247 ( -0.463 0.000 -0.445) 0.642 6.248 ( 0.059 0.000 0.091) 0.109 6.289 ( -1.281 0.000 2.718) 3.005 6.373 ( -0.944 0.000 0.231) 0.972 6.397 ( 3.897 0.000 0.617) 3.945 6.534 ( -3.616 0.000 1.300) 3.843 6.552 ( -4.310 0.000 -7.126) 8.328 6.599 ( -0.580 0.000 -0.080) 0.585 6.623 ( 1.270 0.000 -0.584) 1.398 6.669 ( 1.665 0.000 3.008) 3.438 6.749 ( 2.436 0.000 1.396) 2.807 6.799 ( -1.042 0.000 -0.731) 1.273 6.909 ( 1.417 0.000 1.916) 2.383 6.913 ( 2.628 0.000 4.330) 5.065 7.130 ( -8.313 0.000 1.474) 8.442 7.370 ( -3.918 0.000 -4.920) 6.290 7.377 ( -5.128 0.000 -6.945) 8.633 7.629 ( -0.329 0.000 -4.325) 4.337 7.746 ( -2.812 0.000 -2.245) 3.599 7.780 ( -2.926 0.000 3.102) 4.264 8.070 ( -4.242 0.000 5.049) 6.594 8.220 ( 0.373 0.000 -5.220) 5.234 8.740 ( 5.434 0.000 9.867) 11.264 ======================= Grid point 71 (29/84) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 3.899 12.769 15.851) 20.724 0.701 ( -4.994 12.470 19.722) 23.862 1.257 ( 1.438 28.851 27.444) 39.845 1.784 ( -3.899 -2.842 -10.857) 11.880 1.878 ( 5.393 1.914 -0.291) 5.729 1.905 ( -2.823 7.120 -6.843) 10.271 1.998 ( 2.130 3.143 -2.261) 4.419 2.038 ( 2.644 4.281 -3.462) 6.108 2.129 ( 1.069 -5.474 -2.357) 6.055 2.149 ( -1.718 2.650 -1.162) 3.365 2.229 ( -0.035 0.286 -1.587) 1.613 2.313 ( -2.345 1.170 -3.497) 4.370 2.373 ( -2.914 -1.710 -3.193) 4.649 2.438 ( -1.168 0.287 -1.258) 1.740 2.521 ( -1.825 0.489 2.517) 3.148 2.610 ( -0.364 1.633 3.145) 3.562 2.631 ( -0.282 -0.376 2.343) 2.390 2.647 ( -0.551 -0.218 0.920) 1.094 2.686 ( 0.980 0.417 0.377) 1.130 2.747 ( 0.328 0.737 1.553) 1.750 2.764 ( 1.210 0.013 -0.417) 1.280 2.808 ( -2.453 2.528 1.708) 3.915 2.830 ( 0.638 -0.892 -1.594) 1.935 2.868 ( -0.618 -1.265 0.291) 1.438 2.891 ( -1.808 0.233 -4.805) 5.139 2.914 ( 1.188 0.011 0.660) 1.359 2.964 ( -1.008 -2.181 -3.262) 4.051 3.027 ( -1.263 -0.580 -2.777) 3.106 3.074 ( -0.235 -3.617 -4.810) 6.023 3.099 ( 0.321 -4.078 -1.759) 4.453 3.162 ( -1.462 1.655 -3.112) 3.816 3.246 ( -0.408 0.305 -0.932) 1.063 3.320 ( 2.964 -0.799 0.736) 3.157 3.346 ( -1.521 -0.180 -3.640) 3.949 3.420 ( 2.947 -1.385 3.014) 4.437 3.528 ( 1.621 3.772 0.648) 4.156 3.594 ( 2.150 -1.614 5.937) 6.518 3.719 ( 1.852 -0.063 5.235) 5.553 3.767 ( -0.229 0.132 -4.231) 4.239 3.874 ( -0.190 -0.318 0.138) 0.395 4.257 ( 2.117 3.609 3.457) 5.428 4.381 ( 1.196 -1.064 1.852) 2.448 4.425 ( -0.434 2.196 0.381) 2.271 4.485 ( -1.298 6.055 0.996) 6.272 4.591 ( -4.238 6.196 -0.962) 7.568 4.597 ( -0.194 1.855 -0.494) 1.930 4.660 ( -0.744 2.178 -5.610) 6.063 4.738 ( -0.685 5.999 -1.978) 6.353 4.882 ( 1.485 1.836 3.890) 4.550 4.940 ( 2.009 1.886 2.639) 3.815 5.038 ( -0.313 1.371 4.915) 5.112 5.093 ( -0.338 -0.816 0.808) 1.197 5.153 ( 1.270 1.885 -0.473) 2.321 5.197 ( 3.217 0.436 2.619) 4.171 5.274 ( -0.853 0.053 0.566) 1.025 5.360 ( 1.650 -2.498 1.316) 3.271 5.493 ( 2.315 2.079 -0.666) 3.182 5.538 ( 0.632 3.547 1.046) 3.752 5.562 ( 1.619 1.814 2.015) 3.158 5.613 ( 0.383 0.881 0.113) 0.967 5.662 ( 6.997 -1.060 4.573) 8.426 5.712 ( 2.432 -1.275 0.407) 2.776 5.774 ( -0.113 -1.294 -0.609) 1.435 5.848 ( -0.680 0.540 -0.651) 1.085 5.869 ( -0.711 1.866 -1.836) 2.713 5.891 ( 1.282 3.148 -0.929) 3.524 5.956 ( 0.094 -0.429 -0.219) 0.491 6.045 ( -2.071 1.232 -1.803) 3.010 6.105 ( -2.256 4.313 -2.286) 5.377 6.163 ( -1.014 -0.875 -2.842) 3.142 6.199 ( -1.329 -0.856 1.559) 2.220 6.223 ( 0.719 3.439 -1.215) 3.717 6.256 ( -0.930 0.956 -0.354) 1.380 6.302 ( -1.804 0.156 -0.207) 1.823 6.323 ( 1.631 1.804 1.884) 3.076 6.359 ( 0.232 3.583 0.969) 3.719 6.411 ( 0.621 -1.096 2.316) 2.637 6.430 ( -0.265 0.733 2.620) 2.733 6.537 ( -0.855 4.497 -0.897) 4.664 6.611 ( -4.166 3.349 -2.619) 5.952 6.622 ( -4.758 1.348 -4.635) 6.778 6.650 ( -0.796 2.475 -2.025) 3.295 6.695 ( -2.015 0.263 -3.001) 3.625 6.732 ( -1.646 -0.255 -2.565) 3.058 6.853 ( -4.935 1.892 -5.478) 7.612 6.906 ( -5.327 5.347 -4.927) 9.014 7.076 ( -3.214 5.862 -1.548) 6.863 7.228 ( 26.642 15.963 -11.725) 33.197 7.326 ( 14.963 -2.270 4.032) 15.662 7.418 ( 5.718 -3.308 3.267) 7.370 7.628 ( -1.331 -7.733 0.667) 7.875 7.659 ( 5.193 -1.078 0.536) 5.331 7.773 ( -1.914 -0.250 0.396) 1.971 8.067 ( 1.366 -7.480 6.703) 10.136 8.114 ( 0.775 -5.870 -3.775) 7.022 8.382 ( -13.555 -17.379 2.776) 22.214 ======================= Grid point 72 (30/84) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 3.523 4.371 22.030) 22.734 1.067 ( 15.646 7.879 19.091) 25.911 1.538 ( -4.875 0.248 -16.444) 17.154 1.683 ( 10.205 15.416 21.475) 28.337 1.763 ( -0.031 11.706 -11.070) 16.112 1.949 ( 2.903 2.211 0.072) 3.650 2.045 ( 4.631 1.172 -0.565) 4.810 2.071 ( 6.850 0.106 0.148) 6.853 2.100 ( 2.675 -1.575 -2.908) 4.254 2.166 ( 2.488 -1.781 -3.215) 4.438 2.206 ( 3.258 0.160 0.037) 3.262 2.277 ( 0.425 -0.729 -2.724) 2.852 2.325 ( 3.137 1.329 -2.457) 4.200 2.391 ( -0.192 0.466 -1.475) 1.559 2.540 ( 1.857 2.338 -0.612) 3.047 2.591 ( -1.203 3.832 -3.047) 5.041 2.640 ( 1.627 -1.242 -2.120) 2.947 2.653 ( 0.868 0.324 -0.951) 1.328 2.699 ( 0.190 -0.145 1.702) 1.718 2.761 ( -0.182 1.462 0.473) 1.548 2.798 ( 1.900 -0.448 0.014) 1.953 2.824 ( 0.685 0.260 3.476) 3.552 2.844 ( 1.400 -0.026 1.652) 2.165 2.855 ( 2.356 1.397 0.387) 2.766 2.879 ( -1.294 1.871 1.961) 3.003 2.907 ( -0.436 -2.216 -1.878) 2.937 2.971 ( 2.710 -0.140 1.126) 2.938 2.990 ( -1.117 -0.228 -0.784) 1.384 3.012 ( -0.137 -1.165 -2.377) 2.651 3.081 ( -0.176 -0.585 -1.931) 2.025 3.104 ( -1.238 -0.291 -1.713) 2.134 3.231 ( 0.309 -0.130 -1.086) 1.136 3.248 ( -1.783 2.528 -4.808) 5.717 3.341 ( 0.592 0.084 -2.414) 2.488 3.522 ( 1.468 -2.228 3.002) 4.016 3.540 ( 0.013 1.894 -0.256) 1.911 3.649 ( -0.501 -2.823 1.748) 3.358 3.713 ( -1.187 -1.855 -2.719) 3.499 3.802 ( -0.333 -2.078 4.318) 4.804 3.835 ( -3.982 -1.434 -0.692) 4.289 4.299 ( -1.453 3.150 1.897) 3.954 4.400 ( -2.259 -0.803 0.500) 2.449 4.442 ( 0.364 3.641 2.518) 4.442 4.481 ( -6.487 6.608 -0.881) 9.302 4.512 ( 0.928 6.474 1.518) 6.714 4.562 ( -3.836 3.256 -0.272) 5.039 4.611 ( 1.693 3.770 -1.706) 4.470 4.716 ( 1.128 3.468 -1.617) 3.989 4.915 ( -2.758 0.588 2.517) 3.780 4.969 ( -3.740 2.834 2.198) 5.182 5.044 ( -2.660 -1.771 0.178) 3.201 5.095 ( 0.735 1.281 1.027) 1.799 5.188 ( 1.549 1.100 1.358) 2.335 5.234 ( -2.448 -1.152 -1.372) 3.034 5.289 ( 0.984 -2.461 4.663) 5.364 5.371 ( -4.657 -3.907 -1.940) 6.381 5.476 ( -1.444 0.874 -1.990) 2.610 5.502 ( -0.020 -0.567 -2.465) 2.529 5.636 ( 0.049 2.435 2.395) 3.416 5.652 ( 1.235 0.092 1.207) 1.729 5.713 ( -1.159 -1.073 -1.279) 2.032 5.742 ( -0.925 -0.338 -1.552) 1.838 5.776 ( 1.523 4.560 3.259) 5.808 5.841 ( -0.704 4.546 -1.153) 4.742 5.888 ( 1.730 3.746 1.140) 4.281 5.906 ( -1.053 1.877 -0.379) 2.185 5.949 ( -3.319 -0.987 -1.654) 3.838 5.964 ( 1.226 0.058 1.122) 1.663 6.063 ( -3.005 1.633 -3.925) 5.206 6.092 ( -5.024 3.517 -4.680) 7.714 6.150 ( 2.026 -0.284 0.947) 2.255 6.184 ( -1.549 2.052 0.958) 2.743 6.272 ( 0.404 0.458 1.164) 1.314 6.288 ( 0.223 2.579 1.124) 2.822 6.324 ( -1.769 0.787 -0.864) 2.120 6.356 ( 2.355 3.176 1.056) 4.093 6.458 ( -0.568 4.890 1.783) 5.236 6.479 ( 0.908 1.444 0.180) 1.715 6.524 ( -0.529 -0.315 -1.451) 1.576 6.551 ( 0.599 1.287 1.010) 1.742 6.580 ( 1.029 2.417 0.093) 2.629 6.596 ( -0.286 2.991 3.706) 4.770 6.636 ( -1.948 -2.513 -1.739) 3.624 6.695 ( 0.819 1.609 -2.037) 2.722 6.784 ( -0.381 3.947 -3.241) 5.121 6.811 ( -0.835 0.770 -2.594) 2.831 6.960 ( -7.158 6.220 -2.767) 9.878 7.394 ( 13.316 6.105 -10.812) 18.207 7.467 ( 0.165 -1.540 -3.699) 4.011 7.512 ( 4.688 -5.912 2.901) 8.084 7.579 ( -4.042 -5.299 -1.908) 6.932 7.716 ( -1.482 -2.203 0.788) 2.769 7.796 ( 7.538 -2.561 0.232) 7.965 8.047 ( -1.244 -7.052 -1.594) 7.336 8.279 ( 6.795 -11.308 6.395) 14.661 8.319 ( 6.220 -7.635 2.764) 10.228 ======================= Grid point 73 (31/84) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.936 0.793 16.048) 17.129 1.282 ( 0.161 3.487 -9.082) 9.730 1.511 ( 12.339 10.233 15.111) 22.030 1.563 ( -1.954 17.326 -10.118) 20.159 1.875 ( -5.916 1.673 -8.121) 10.186 2.041 ( 9.740 1.141 3.967) 10.579 2.081 ( 4.210 1.418 -4.541) 6.352 2.126 ( -1.262 3.414 -4.208) 5.564 2.141 ( 4.897 2.708 -0.010) 5.596 2.191 ( 8.352 -5.749 0.238) 10.142 2.247 ( 3.985 1.305 3.200) 5.275 2.346 ( 10.049 4.964 1.737) 11.342 2.411 ( 5.010 0.875 0.813) 5.151 2.488 ( 11.323 0.936 7.988) 13.888 2.522 ( 0.687 -0.349 0.127) 0.781 2.585 ( 0.477 -1.552 -0.753) 1.789 2.637 ( 1.450 -0.964 -0.973) 1.994 2.700 ( 3.355 0.610 1.090) 3.580 2.717 ( 2.315 -1.211 0.831) 2.742 2.756 ( -0.158 -2.074 -1.987) 2.877 2.795 ( 2.871 -0.578 -4.599) 5.452 2.846 ( -1.045 -0.278 1.042) 1.501 2.872 ( 1.199 -1.872 -0.690) 2.328 2.890 ( 1.580 1.519 2.516) 3.337 2.924 ( 3.941 3.501 3.617) 6.393 2.935 ( 2.676 -1.299 -0.783) 3.076 2.944 ( -1.316 0.526 -1.250) 1.889 3.005 ( 0.852 -0.061 2.568) 2.707 3.048 ( 0.347 1.086 -2.287) 2.555 3.076 ( 3.087 -1.093 -0.542) 3.319 3.091 ( 1.389 2.480 2.784) 3.979 3.199 ( 0.369 1.839 -0.263) 1.894 3.222 ( -0.487 -1.204 -0.461) 1.378 3.297 ( -0.887 0.476 -3.109) 3.268 3.455 ( -6.361 -1.619 -4.678) 8.060 3.537 ( -3.503 0.282 -1.826) 3.961 3.602 ( -4.136 -1.510 -2.099) 4.878 3.682 ( -2.817 -2.839 0.367) 4.016 3.760 ( -2.291 -1.088 -0.676) 2.625 3.827 ( -3.099 0.005 1.062) 3.276 4.279 ( -3.576 0.003 1.716) 3.967 4.294 ( -7.862 5.853 -3.316) 10.347 4.440 ( -1.536 2.753 -1.634) 3.551 4.484 ( 0.139 1.916 1.794) 2.629 4.502 ( -1.142 3.387 4.954) 6.109 4.559 ( 0.097 5.718 1.101) 5.824 4.651 ( 2.513 8.035 1.023) 8.480 4.723 ( 0.818 2.166 -0.432) 2.355 4.855 ( -7.757 1.229 -0.349) 7.862 4.908 ( -3.736 2.032 -1.686) 4.574 5.017 ( -3.333 0.920 1.513) 3.774 5.109 ( -0.446 -0.173 -0.028) 0.479 5.168 ( -1.359 -0.804 -0.061) 1.580 5.198 ( -9.205 -1.383 -5.394) 10.758 5.262 ( 1.669 0.858 2.073) 2.796 5.278 ( -5.060 -1.080 -1.950) 5.529 5.447 ( -1.901 0.538 -0.168) 1.983 5.483 ( -1.255 0.228 -1.337) 1.848 5.552 ( -5.031 1.531 -2.327) 5.750 5.634 ( -1.297 3.494 -0.894) 3.833 5.645 ( -2.024 -0.452 -3.816) 4.343 5.733 ( -2.574 0.386 -0.511) 2.653 5.774 ( -3.574 -0.353 -4.967) 6.129 5.828 ( -0.449 1.245 0.362) 1.372 5.865 ( 0.786 3.447 1.147) 3.717 5.878 ( 0.039 1.387 -0.297) 1.419 5.937 ( 0.516 2.752 0.613) 2.866 5.981 ( -1.480 1.905 -1.233) 2.710 6.041 ( 2.104 -1.202 4.391) 5.015 6.101 ( 2.743 -0.229 2.914) 4.008 6.177 ( 0.609 2.211 0.220) 2.304 6.211 ( 0.496 -0.523 2.284) 2.395 6.271 ( -0.345 0.305 -0.218) 0.509 6.289 ( -0.669 1.125 -0.010) 1.309 6.300 ( -0.861 2.933 -0.081) 3.058 6.407 ( -1.569 4.083 -0.571) 4.411 6.496 ( 2.262 -1.401 1.034) 2.854 6.519 ( 0.851 4.259 0.856) 4.427 6.549 ( -0.760 -1.661 1.455) 2.335 6.571 ( 1.104 0.034 1.130) 1.580 6.597 ( 6.209 2.854 3.467) 7.662 6.644 ( 1.144 -0.026 0.399) 1.211 6.650 ( 5.253 2.749 4.546) 7.471 6.704 ( -1.087 3.341 -3.154) 4.721 6.748 ( 2.792 1.870 1.182) 3.562 6.847 ( -0.454 7.660 1.108) 7.753 6.878 ( 3.267 2.765 4.133) 5.950 7.261 ( -7.180 2.861 -11.642) 13.974 7.333 ( -6.811 -2.923 -7.313) 10.412 7.437 ( -8.283 -0.706 -6.175) 10.355 7.626 ( 6.379 -4.143 0.468) 7.621 7.714 ( -1.299 -4.675 3.365) 5.905 7.898 ( 6.973 -7.953 -1.849) 10.738 8.076 ( 6.059 -0.904 -0.849) 6.185 8.346 ( 6.043 -6.268 -1.734) 8.877 8.576 ( 11.059 -12.061 6.760) 17.705 ======================= Grid point 74 (32/84) ======================= q-point: ( 0.38 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 7.084 8.465 -4.978) 12.108 1.384 ( 0.707 19.304 -9.055) 21.334 1.615 ( -6.143 0.815 -2.390) 6.642 1.647 ( 1.688 0.144 10.035) 10.177 1.856 ( -7.525 13.392 -13.551) 20.484 1.905 ( 10.909 9.871 15.814) 21.599 2.130 ( 2.772 3.444 1.240) 4.591 2.209 ( 5.662 0.162 2.805) 6.321 2.248 ( 1.698 1.973 0.271) 2.617 2.295 ( 4.685 -4.188 0.206) 6.287 2.330 ( 4.503 -2.919 2.261) 5.824 2.461 ( 6.734 -1.310 1.670) 7.061 2.521 ( 2.567 -0.919 1.129) 2.951 2.559 ( 2.887 0.078 0.979) 3.050 2.568 ( 0.477 -2.510 -0.502) 2.603 2.625 ( 1.536 -0.175 -1.266) 1.998 2.690 ( -1.407 -0.259 -2.324) 2.729 2.714 ( 0.152 0.622 -0.084) 0.646 2.736 ( 3.684 1.514 -2.476) 4.690 2.776 ( 4.576 -1.865 -1.105) 5.064 2.796 ( 3.188 0.062 -2.099) 3.818 2.876 ( 3.088 -0.765 -0.810) 3.283 2.905 ( -2.840 0.027 2.261) 3.631 2.910 ( 6.183 -1.915 3.636) 7.424 2.943 ( 0.631 -0.775 -0.498) 1.116 2.981 ( 1.153 -3.135 -0.021) 3.340 3.003 ( 2.963 -2.493 -0.036) 3.872 3.048 ( 1.320 0.134 -0.516) 1.423 3.082 ( 0.184 0.345 0.042) 0.394 3.099 ( 6.314 0.364 2.234) 6.708 3.128 ( 1.266 1.454 2.696) 3.315 3.209 ( -3.427 -4.632 -0.556) 5.789 3.217 ( 0.075 -1.130 -0.546) 1.258 3.270 ( -0.434 0.956 0.380) 1.116 3.320 ( -0.938 3.010 -0.446) 3.184 3.397 ( -9.125 1.425 -3.454) 9.861 3.497 ( -5.605 1.043 -2.409) 6.189 3.672 ( -0.007 -1.641 0.823) 1.835 3.730 ( -1.199 -0.950 -1.694) 2.283 3.766 ( -3.642 3.517 -0.773) 5.122 4.153 ( -5.073 5.962 -2.860) 8.334 4.271 ( -2.190 -0.465 2.463) 3.328 4.392 ( -1.150 1.385 -0.920) 2.022 4.524 ( 0.428 4.321 0.617) 4.385 4.533 ( -1.758 3.610 -1.005) 4.139 4.577 ( -0.158 3.050 2.448) 3.914 4.664 ( 0.766 6.533 0.559) 6.602 4.706 ( -3.840 2.520 -0.883) 4.678 4.744 ( -2.997 4.510 -1.696) 5.674 4.869 ( -0.445 3.985 1.118) 4.163 4.980 ( -3.985 -1.012 -1.537) 4.390 5.041 ( -2.977 0.918 -0.672) 3.187 5.103 ( -0.624 0.182 -0.232) 0.690 5.159 ( -0.527 -0.025 -1.079) 1.201 5.201 ( -2.160 1.599 0.474) 2.729 5.283 ( -0.699 0.812 -0.642) 1.249 5.394 ( -1.573 1.915 0.613) 2.553 5.456 ( 0.141 0.764 1.403) 1.604 5.512 ( -1.543 4.898 -0.356) 5.148 5.609 ( 0.367 -0.451 -0.598) 0.834 5.621 ( 0.011 -0.552 -0.286) 0.622 5.667 ( -1.724 -1.196 -1.627) 2.656 5.734 ( -0.117 0.855 1.738) 1.940 5.830 ( 0.103 1.459 -0.611) 1.585 5.863 ( 0.063 -0.606 -0.033) 0.610 5.912 ( 1.772 1.316 1.009) 2.427 5.943 ( -1.524 0.466 -1.208) 2.000 5.947 ( 0.289 2.791 0.643) 2.879 6.091 ( -0.638 -0.974 0.625) 1.321 6.162 ( 1.154 -1.027 1.405) 2.088 6.173 ( -1.197 2.229 -0.879) 2.678 6.225 ( -0.955 -2.453 0.739) 2.734 6.256 ( -0.010 0.434 -1.217) 1.292 6.285 ( -1.067 1.020 -0.951) 1.755 6.301 ( 0.184 2.286 1.200) 2.588 6.359 ( -0.867 4.683 -2.547) 5.400 6.483 ( 0.226 -0.751 -2.270) 2.402 6.521 ( 0.195 3.751 0.082) 3.757 6.552 ( -0.463 -0.520 -0.873) 1.116 6.592 ( -0.259 0.233 -2.025) 2.054 6.643 ( 1.585 1.712 0.467) 2.379 6.676 ( 0.204 1.185 0.927) 1.518 6.705 ( -0.265 -0.209 0.446) 0.559 6.786 ( 1.599 2.987 -0.751) 3.470 6.826 ( 4.404 4.420 3.055) 6.947 6.925 ( 3.955 4.318 8.928) 10.677 7.021 ( -6.647 3.088 -2.746) 7.827 7.073 ( 3.646 4.040 -0.183) 5.445 7.149 ( -2.464 -2.041 -0.510) 3.240 7.272 ( -4.232 0.552 2.094) 4.754 7.686 ( 3.875 -3.109 -2.284) 5.468 7.751 ( -1.335 -5.027 4.577) 6.928 7.947 ( 5.083 -8.538 -2.977) 10.373 8.127 ( 4.281 0.811 -3.843) 5.810 8.397 ( 4.781 -5.566 -2.371) 7.712 8.730 ( 3.584 -12.543 0.369) 13.050 ======================= Grid point 75 (33/84) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -11.365 6.111 -6.600) 14.494 1.320 ( 4.258 9.338 0.265) 10.266 1.394 ( 13.679 14.682 -0.785) 20.082 1.551 ( -11.366 15.421 -13.157) 23.240 1.931 ( 4.922 -0.848 13.786) 14.663 2.160 ( 1.370 2.344 3.996) 4.831 2.202 ( -0.833 -0.877 -1.518) 1.941 2.235 ( 2.169 6.180 7.296) 9.805 2.278 ( -0.449 -0.319 1.868) 1.947 2.367 ( -0.458 -1.039 4.385) 4.529 2.406 ( 2.112 -0.631 1.666) 2.763 2.458 ( -4.198 0.143 -2.562) 4.921 2.516 ( -2.801 -1.986 0.777) 3.520 2.561 ( 0.506 1.406 -1.064) 1.834 2.594 ( -2.494 -3.235 -1.044) 4.216 2.637 ( -2.139 1.513 -0.193) 2.628 2.659 ( 3.913 1.322 -1.846) 4.524 2.674 ( -1.800 -1.249 -2.792) 3.549 2.743 ( -2.425 2.310 -4.030) 5.240 2.762 ( 0.922 0.618 -2.653) 2.875 2.805 ( 0.170 0.518 -0.001) 0.545 2.845 ( -2.758 1.597 -3.039) 4.404 2.864 ( -1.309 -1.047 -0.593) 1.778 2.934 ( 2.499 0.256 0.850) 2.652 2.973 ( -1.024 -4.133 -0.271) 4.267 2.994 ( -1.921 -2.016 -0.495) 2.829 3.030 ( -0.113 -1.133 0.282) 1.173 3.047 ( 2.584 -3.204 -0.832) 4.199 3.082 ( 0.640 1.738 0.419) 1.899 3.121 ( -4.411 -1.006 -1.944) 4.925 3.151 ( -2.128 -4.071 0.072) 4.594 3.170 ( -0.486 1.547 -1.380) 2.129 3.224 ( -3.236 -2.762 0.505) 4.284 3.259 ( -1.524 -3.579 0.158) 3.893 3.328 ( 8.902 -0.982 3.997) 9.807 3.418 ( 4.915 0.512 3.096) 5.831 3.505 ( 6.696 4.128 3.183) 8.485 3.651 ( -2.112 -0.864 -1.806) 2.910 3.707 ( 1.907 1.179 -1.460) 2.675 3.741 ( -0.412 2.731 -0.814) 2.880 4.107 ( 1.751 1.065 -0.983) 2.273 4.270 ( -0.565 5.245 1.779) 5.567 4.397 ( -2.644 4.702 -5.582) 7.763 4.428 ( 0.885 -0.125 1.336) 1.608 4.498 ( -1.505 3.492 -2.117) 4.352 4.591 ( -3.840 3.857 1.077) 5.549 4.662 ( 0.323 4.568 -0.590) 4.617 4.695 ( -0.060 5.252 -2.485) 5.811 4.740 ( 2.629 2.640 4.288) 5.681 4.895 ( -0.488 2.143 -1.301) 2.554 4.919 ( 1.361 -0.219 0.291) 1.409 5.070 ( 3.167 -1.052 1.678) 3.735 5.100 ( 1.246 0.363 1.633) 2.086 5.137 ( 0.078 -0.922 -0.676) 1.146 5.226 ( 0.519 -0.413 0.428) 0.789 5.246 ( -0.501 0.516 -1.879) 2.012 5.453 ( 2.084 1.992 6.943) 7.518 5.497 ( 1.168 1.929 3.256) 3.961 5.521 ( 1.016 3.010 2.201) 3.865 5.636 ( -0.336 2.434 0.658) 2.544 5.644 ( 4.421 -0.157 2.327) 4.998 5.657 ( 2.145 -0.002 2.634) 3.397 5.763 ( 0.192 -1.696 0.006) 1.707 5.835 ( 0.511 2.818 1.542) 3.252 5.854 ( -0.657 0.043 -1.101) 1.283 5.908 ( -1.570 1.441 -0.642) 2.226 5.945 ( -2.090 3.023 -1.567) 3.995 5.954 ( 1.391 1.755 0.653) 2.333 6.028 ( -2.181 -1.056 -2.992) 3.851 6.122 ( -2.875 1.749 -1.911) 3.870 6.179 ( -0.143 -1.485 -0.167) 1.501 6.205 ( -1.563 -1.098 -1.813) 2.634 6.234 ( 0.803 0.626 -1.575) 1.875 6.283 ( 0.649 1.940 1.133) 2.338 6.293 ( -0.459 3.662 -0.532) 3.729 6.349 ( 1.873 4.120 -1.098) 4.657 6.467 ( 1.021 1.780 -2.317) 3.095 6.509 ( 0.219 1.041 -2.366) 2.594 6.535 ( -1.503 1.832 -0.087) 2.371 6.567 ( 0.237 -0.895 -0.211) 0.950 6.651 ( -1.302 1.232 -1.578) 2.388 6.672 ( -0.441 -1.578 0.043) 1.639 6.710 ( 1.215 3.874 0.104) 4.062 6.719 ( -7.239 3.821 -7.628) 11.189 6.784 ( 0.061 3.756 -1.814) 4.171 6.850 ( -5.053 1.798 -1.624) 5.603 6.913 ( -4.632 3.693 -4.980) 7.739 7.257 ( 7.250 -4.211 14.817) 17.024 7.327 ( 6.171 -3.507 9.443) 11.813 7.440 ( 5.429 1.487 12.892) 14.067 7.692 ( 3.192 0.155 -1.413) 3.495 7.789 ( -2.584 -5.238 5.440) 7.982 7.962 ( 2.880 -5.650 -3.596) 7.291 8.080 ( -0.670 -1.116 -7.067) 7.186 8.407 ( 1.603 -4.091 -3.396) 5.553 8.670 ( -5.335 -11.020 -7.787) 14.510 ======================= Grid point 76 (34/84) ======================= q-point: (-0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -18.779 10.635 -1.494) 21.633 1.213 ( -14.308 17.486 -11.333) 25.276 1.469 ( 11.926 11.609 1.137) 16.683 1.669 ( 16.678 3.370 4.641) 17.637 1.982 ( -24.743 5.724 -11.134) 27.730 2.089 ( -2.502 1.225 5.343) 6.025 2.168 ( -1.865 3.159 0.076) 3.669 2.228 ( -0.052 2.315 6.883) 7.262 2.278 ( -7.344 -4.121 -0.463) 8.434 2.339 ( -4.517 -2.135 -1.572) 5.238 2.397 ( -5.896 -0.244 4.291) 7.297 2.413 ( 0.020 -3.098 -0.775) 3.193 2.485 ( -4.998 -0.633 1.109) 5.158 2.534 ( -7.340 -0.136 3.099) 7.969 2.591 ( 3.623 1.879 3.445) 5.341 2.605 ( -4.638 2.025 -2.998) 5.882 2.637 ( 1.099 3.138 -2.888) 4.404 2.672 ( 1.568 2.859 0.178) 3.266 2.707 ( -3.092 0.705 -0.921) 3.302 2.728 ( 1.162 1.380 4.792) 5.120 2.805 ( -1.637 1.083 -2.382) 3.086 2.828 ( 0.102 -0.251 -0.631) 0.687 2.850 ( -0.288 0.488 -1.671) 1.764 2.903 ( -4.013 1.284 -1.795) 4.579 2.924 ( -3.960 -0.173 -1.880) 4.387 2.977 ( 0.332 2.264 2.533) 3.413 2.995 ( -1.453 -1.947 2.005) 3.150 3.035 ( -0.527 -2.772 1.855) 3.377 3.061 ( -1.087 -1.048 -1.357) 2.030 3.109 ( -0.340 -5.848 1.068) 5.955 3.137 ( -1.965 -1.850 1.012) 2.882 3.185 ( 3.398 -2.794 -0.836) 4.478 3.252 ( 3.788 -0.931 2.662) 4.723 3.272 ( 4.098 -3.359 -1.523) 5.513 3.480 ( 4.030 -1.652 0.451) 4.379 3.499 ( 2.996 -1.433 -1.124) 3.506 3.601 ( -1.027 -1.782 -2.654) 3.357 3.633 ( 6.465 1.297 2.068) 6.911 3.691 ( 0.462 2.542 -3.540) 4.383 3.738 ( 2.823 1.543 -0.878) 3.335 4.177 ( 6.713 2.365 1.415) 7.256 4.243 ( -0.418 2.147 -5.542) 5.958 4.346 ( 3.436 5.871 2.207) 7.151 4.444 ( -0.648 6.034 -3.475) 6.993 4.535 ( 2.565 2.165 5.793) 6.695 4.540 ( -3.417 2.119 -0.020) 4.020 4.628 ( -0.583 4.838 -2.254) 5.369 4.701 ( 2.469 1.240 0.052) 2.764 4.808 ( 2.474 2.138 0.685) 3.341 4.852 ( 0.088 1.574 -3.603) 3.933 4.977 ( 2.629 -2.183 2.487) 4.226 5.101 ( -0.768 0.702 -1.173) 1.568 5.142 ( 1.463 -2.724 -1.157) 3.301 5.157 ( 3.091 -0.518 -3.073) 4.390 5.226 ( 3.858 0.550 2.312) 4.532 5.252 ( 1.051 -0.066 0.359) 1.113 5.529 ( 0.372 -0.508 1.511) 1.637 5.542 ( -0.806 0.307 1.922) 2.106 5.641 ( 1.033 1.207 5.344) 5.575 5.669 ( 3.031 2.671 3.908) 5.621 5.710 ( -1.146 1.330 -1.110) 2.077 5.721 ( 1.618 -1.730 1.399) 2.751 5.761 ( -3.256 5.465 -3.461) 7.242 5.806 ( 5.053 0.183 4.394) 6.698 5.829 ( -0.070 2.576 -2.651) 3.697 5.904 ( 3.308 2.842 2.702) 5.130 5.921 ( -0.292 1.788 1.482) 2.341 6.005 ( 2.556 -0.333 2.044) 3.289 6.009 ( -2.656 0.300 -0.664) 2.754 6.077 ( 0.500 0.951 0.639) 1.250 6.127 ( -1.276 -0.601 -4.976) 5.173 6.165 ( -0.261 1.376 -2.190) 2.600 6.242 ( 1.057 1.440 0.154) 1.793 6.270 ( -0.652 4.479 -1.495) 4.767 6.319 ( 0.334 1.669 0.891) 1.921 6.362 ( 2.228 4.885 0.267) 5.376 6.444 ( -2.363 3.957 -2.568) 5.276 6.470 ( -0.332 3.370 -1.803) 3.837 6.509 ( 0.811 1.064 -0.003) 1.338 6.536 ( -2.923 3.626 -5.290) 7.048 6.590 ( -1.404 0.507 0.959) 1.774 6.618 ( -0.221 -2.429 1.161) 2.701 6.652 ( -1.714 0.040 -1.228) 2.109 6.705 ( 1.276 0.481 -0.641) 1.507 6.815 ( 1.396 3.937 4.054) 5.822 6.843 ( -0.365 2.967 0.191) 2.995 6.888 ( 3.698 2.445 4.982) 6.669 7.338 ( 1.998 -8.558 -10.502) 13.694 7.510 ( 2.839 -3.880 8.022) 9.353 7.619 ( 0.361 -1.043 7.212) 7.296 7.793 ( -3.747 -4.367 1.609) 5.974 7.828 ( -1.337 -5.143 3.297) 6.254 7.943 ( 6.227 2.999 2.837) 7.471 7.978 ( -5.335 -3.184 1.192) 6.326 8.342 ( -4.065 -5.991 -7.002) 10.072 8.419 ( -8.226 -5.709 -11.737) 15.428 ======================= Grid point 77 (35/84) ======================= q-point: (-0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -18.517 15.401 7.047) 25.094 0.892 ( -15.747 20.739 -5.067) 26.528 1.413 ( -32.852 17.041 -7.908) 37.844 1.660 ( 11.908 8.300 0.280) 14.518 1.881 ( 11.306 2.486 -4.002) 12.249 2.078 ( -7.146 -0.075 3.362) 7.898 2.128 ( -6.425 -0.147 2.546) 6.913 2.187 ( -6.015 -3.479 -2.036) 7.241 2.212 ( -4.344 1.641 0.126) 4.646 2.313 ( -5.994 0.548 3.279) 6.854 2.347 ( -3.505 4.033 1.338) 5.508 2.409 ( -3.650 -1.680 1.805) 4.405 2.450 ( -3.495 1.717 1.981) 4.369 2.481 ( -2.622 -2.371 -0.365) 3.554 2.509 ( -3.064 0.224 2.346) 3.866 2.595 ( -4.262 3.021 0.286) 5.232 2.624 ( -3.919 1.861 -2.663) 5.091 2.667 ( 1.017 0.421 0.882) 1.411 2.687 ( 0.997 -0.047 0.910) 1.351 2.727 ( -2.455 1.026 -1.326) 2.973 2.771 ( -1.545 2.569 0.750) 3.090 2.791 ( -1.361 1.359 -1.854) 2.671 2.849 ( 0.751 -0.777 0.556) 1.215 2.871 ( -0.229 -2.738 -0.617) 2.816 2.920 ( 0.783 -2.567 2.858) 3.921 2.985 ( -3.756 -0.527 0.051) 3.793 3.004 ( -0.654 -1.300 0.187) 1.467 3.066 ( 1.492 -1.664 3.939) 4.529 3.085 ( 1.738 -3.251 1.649) 4.038 3.151 ( 1.721 -8.074 3.530) 8.978 3.177 ( 3.723 -1.814 1.041) 4.270 3.204 ( 2.068 1.335 2.192) 3.296 3.273 ( 1.468 -1.043 -4.790) 5.117 3.339 ( 1.886 -3.045 -0.005) 3.582 3.436 ( 0.606 0.052 -1.806) 1.906 3.476 ( -1.644 0.520 -6.854) 7.068 3.543 ( -0.603 1.520 -2.263) 2.792 3.659 ( -0.123 2.483 -2.657) 3.639 3.744 ( 6.032 0.396 1.111) 6.146 3.793 ( 4.365 1.748 0.092) 4.703 4.163 ( 2.209 1.444 -3.788) 4.617 4.356 ( 6.966 2.412 2.924) 7.931 4.396 ( 1.718 6.244 -2.400) 6.906 4.432 ( 1.478 3.128 2.203) 4.101 4.482 ( -0.861 2.473 0.402) 2.649 4.579 ( 0.692 4.738 0.163) 4.791 4.701 ( 5.011 2.881 3.576) 6.797 4.740 ( 0.961 -0.903 2.073) 2.457 4.813 ( 2.315 4.031 -3.798) 6.003 4.839 ( 1.108 2.475 -0.563) 2.769 4.995 ( -0.607 -0.625 -2.445) 2.596 5.070 ( 0.908 -0.234 -0.637) 1.134 5.145 ( -0.671 2.235 -1.749) 2.916 5.179 ( 4.573 -0.199 0.928) 4.670 5.211 ( -1.397 2.224 -3.256) 4.183 5.324 ( 2.962 -4.283 -1.207) 5.345 5.507 ( -0.298 1.005 0.322) 1.097 5.552 ( -0.937 -0.686 -0.983) 1.522 5.580 ( -2.782 3.412 -2.019) 4.844 5.634 ( -3.327 2.588 -1.494) 4.472 5.727 ( 0.586 -0.219 -1.918) 2.018 5.756 ( -2.405 0.060 -1.532) 2.852 5.772 ( -2.430 -3.023 -2.134) 4.427 5.845 ( 2.460 0.805 1.804) 3.155 5.878 ( 1.989 3.990 3.247) 5.516 5.945 ( -1.025 0.717 -1.572) 2.009 5.952 ( -0.224 0.526 1.466) 1.573 5.982 ( 2.655 -0.064 4.029) 4.826 6.056 ( 4.005 2.289 -2.048) 5.048 6.111 ( 2.991 3.188 1.699) 4.690 6.151 ( 2.231 -0.361 1.227) 2.572 6.173 ( 5.761 -1.067 2.507) 6.373 6.237 ( -0.414 1.592 -1.203) 2.038 6.269 ( 0.770 2.671 1.545) 3.181 6.333 ( 0.455 1.737 -0.213) 1.808 6.345 ( -2.274 5.100 -1.507) 5.784 6.408 ( -2.372 4.579 -5.278) 7.379 6.423 ( 0.351 4.024 1.492) 4.306 6.551 ( 2.494 0.013 1.751) 3.047 6.559 ( 5.227 2.324 5.650) 8.041 6.577 ( -1.534 2.373 1.301) 3.111 6.638 ( 2.023 2.928 2.355) 4.268 6.683 ( 1.852 -2.618 2.305) 3.949 6.726 ( 2.353 0.041 -0.468) 2.400 6.851 ( 1.288 2.002 1.560) 2.846 6.889 ( 2.709 4.408 3.340) 6.158 7.062 ( 3.735 1.268 10.420) 11.142 7.154 ( 5.351 1.456 -23.624) 24.266 7.552 ( -6.021 -0.736 -0.246) 6.070 7.578 ( -6.545 -4.079 -16.370) 18.095 7.682 ( -2.849 -6.198 4.323) 8.076 7.754 ( -3.526 -0.626 -4.155) 5.485 7.879 ( -8.696 -2.985 -4.458) 10.218 8.091 ( -7.589 -5.326 -5.037) 10.552 8.205 ( 0.943 -5.340 8.994) 10.502 8.320 ( -0.755 -5.421 6.708) 8.657 ======================= Grid point 78 (36/84) ======================= q-point: (-0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -15.285 20.544 1.598) 25.656 0.673 ( -18.121 16.536 9.586) 26.339 1.050 ( -18.639 31.314 16.608) 40.047 1.795 ( 8.198 3.264 -1.351) 8.927 1.938 ( 2.946 4.532 -3.001) 6.183 1.959 ( -4.408 -0.679 -3.801) 5.860 2.050 ( -5.026 5.664 -3.018) 8.152 2.103 ( -2.584 0.021 -1.787) 3.142 2.162 ( -6.150 0.435 -0.928) 6.235 2.238 ( -5.585 2.529 -1.596) 6.335 2.248 ( -1.882 -0.172 -0.451) 1.943 2.387 ( -4.364 -1.198 -0.022) 4.525 2.445 ( 0.766 -0.405 -3.489) 3.595 2.492 ( -4.499 -0.498 -3.142) 5.510 2.500 ( -1.305 0.553 4.485) 4.704 2.550 ( -0.554 0.284 5.434) 5.470 2.592 ( -1.266 -0.378 4.078) 4.286 2.657 ( -1.715 0.738 0.918) 2.081 2.685 ( -2.376 0.373 0.600) 2.479 2.732 ( 0.575 0.192 1.129) 1.282 2.763 ( 0.367 1.224 -0.964) 1.601 2.794 ( 0.091 2.629 2.249) 3.461 2.852 ( 0.194 -0.377 -0.736) 0.849 2.869 ( -0.979 -2.753 0.453) 2.957 2.924 ( -2.298 -1.885 -0.950) 3.120 2.939 ( -1.355 -3.895 0.801) 4.201 3.034 ( 1.546 -0.432 -0.290) 1.631 3.081 ( -2.665 -1.079 -3.906) 4.850 3.108 ( 1.089 -7.517 -1.067) 7.670 3.150 ( 2.323 -1.650 -3.556) 4.557 3.159 ( 0.659 -4.728 -3.329) 5.820 3.270 ( 1.780 -3.379 1.008) 3.950 3.289 ( 0.275 1.301 -2.927) 3.215 3.332 ( 0.830 -0.549 -0.215) 1.018 3.428 ( 2.157 0.201 5.005) 5.453 3.479 ( 0.296 0.773 -0.714) 1.093 3.500 ( 1.583 5.874 -0.747) 6.129 3.647 ( 0.977 2.413 1.735) 3.128 3.811 ( 2.286 -0.246 -3.195) 3.936 3.839 ( 3.617 1.030 1.113) 3.922 4.183 ( 3.660 2.799 0.451) 4.630 4.364 ( -0.578 1.643 -0.280) 1.764 4.423 ( 0.440 1.285 0.714) 1.535 4.473 ( 1.847 4.539 1.463) 5.114 4.579 ( 4.649 3.106 2.063) 5.960 4.597 ( 0.881 5.193 0.581) 5.299 4.717 ( 0.208 0.836 -3.014) 3.135 4.790 ( -0.305 6.297 -2.040) 6.626 4.801 ( 2.131 1.713 0.332) 2.755 4.879 ( 2.426 3.973 3.896) 6.070 4.969 ( 0.890 2.059 0.393) 2.277 5.076 ( 0.195 0.483 0.397) 0.655 5.134 ( 1.065 2.796 0.060) 2.993 5.180 ( 2.007 -0.613 -1.258) 2.447 5.260 ( 3.171 0.385 2.068) 3.805 5.301 ( 0.672 1.421 -1.941) 2.498 5.503 ( -1.354 2.635 -2.061) 3.609 5.510 ( 0.263 3.486 -0.347) 3.513 5.542 ( -1.462 0.062 -1.700) 2.243 5.590 ( -3.791 0.701 -1.795) 4.253 5.633 ( 1.759 0.496 0.231) 1.842 5.703 ( -0.299 0.996 -2.062) 2.310 5.772 ( 0.622 -1.952 -0.377) 2.083 5.862 ( -0.455 -0.204 -0.207) 0.540 5.890 ( -0.443 3.184 -2.049) 3.812 5.920 ( -0.696 0.529 -0.337) 0.936 5.946 ( 0.962 -1.032 -0.380) 1.462 6.079 ( 1.563 3.955 -3.275) 5.368 6.117 ( 2.556 -1.688 5.892) 6.641 6.155 ( 3.258 1.002 1.268) 3.637 6.199 ( -0.219 -0.635 2.270) 2.367 6.221 ( 1.184 1.062 -0.261) 1.612 6.250 ( -3.308 2.223 -3.121) 5.062 6.274 ( 0.179 2.981 0.472) 3.023 6.316 ( 0.588 5.125 -0.087) 5.159 6.339 ( 3.606 -1.181 -0.238) 3.802 6.361 ( -0.003 -0.288 2.751) 2.766 6.452 ( -0.817 0.071 0.136) 0.831 6.567 ( -0.865 0.665 -0.178) 1.105 6.621 ( 2.725 2.919 1.440) 4.245 6.669 ( 0.465 3.972 1.321) 4.212 6.696 ( 0.925 3.677 0.533) 3.829 6.732 ( 1.476 0.706 -1.869) 2.484 6.756 ( 1.632 -2.047 0.247) 2.630 6.917 ( 1.833 1.729 2.246) 3.375 6.971 ( 5.828 10.248 -1.720) 11.914 7.012 ( 18.967 23.466 -14.032) 33.276 7.175 ( -4.706 3.162 3.363) 6.592 7.271 ( -5.451 -1.689 -12.562) 13.797 7.376 ( -4.835 -3.818 -6.810) 9.183 7.620 ( -1.337 -5.495 -1.975) 5.990 7.662 ( -2.806 -2.848 -2.395) 4.661 7.788 ( -1.547 -1.355 1.086) 2.326 8.028 ( -4.855 -4.188 4.409) 7.781 8.169 ( -0.299 -4.971 -5.004) 7.060 8.468 ( -7.607 -19.303 12.086) 24.012 ======================= Grid point 79 (37/84) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -2.185 15.532 8.935) 18.051 1.028 ( -0.603 20.679 5.838) 21.496 1.683 ( -1.559 -8.359 -7.427) 11.290 1.763 ( 0.236 18.355 12.652) 22.294 1.937 ( -1.068 0.994 0.474) 1.535 1.989 ( 2.380 5.395 -1.850) 6.180 2.000 ( -3.220 -0.628 -7.025) 7.754 2.069 ( 0.529 0.823 -6.977) 7.045 2.134 ( 2.291 0.342 -4.523) 5.082 2.208 ( -1.069 2.470 -2.801) 3.884 2.224 ( -2.015 -0.706 -0.217) 2.146 2.351 ( -1.928 2.448 -1.375) 3.406 2.366 ( -2.667 1.760 -3.293) 4.588 2.459 ( -1.126 1.694 -0.657) 2.138 2.508 ( 0.905 0.675 1.228) 1.668 2.598 ( 2.169 1.275 3.733) 4.501 2.617 ( 1.851 -0.494 3.485) 3.977 2.678 ( 0.625 0.102 1.049) 1.225 2.736 ( 0.943 0.632 1.424) 1.821 2.748 ( 1.514 2.925 1.387) 3.574 2.767 ( 0.272 0.292 1.946) 1.986 2.808 ( -0.821 -1.169 -0.238) 1.448 2.821 ( -1.511 -1.633 0.236) 2.237 2.863 ( -2.842 -0.105 0.009) 2.844 2.876 ( 1.210 -0.321 1.637) 2.061 2.914 ( 0.549 -2.253 -2.177) 3.181 2.919 ( 0.925 0.757 1.617) 2.011 3.021 ( -1.228 -1.204 -0.755) 1.878 3.035 ( 0.058 0.184 0.038) 0.196 3.094 ( -0.976 2.304 -2.552) 3.574 3.199 ( 1.605 -4.021 4.259) 6.073 3.216 ( -0.093 3.604 -3.343) 4.917 3.298 ( 2.000 -1.574 0.700) 2.640 3.334 ( -0.661 0.989 -0.712) 1.386 3.459 ( -0.809 3.289 -4.515) 5.644 3.544 ( 1.925 -0.834 2.883) 3.565 3.578 ( 0.503 -0.852 1.297) 1.632 3.726 ( 0.951 0.443 2.004) 2.262 3.754 ( -0.237 -1.091 -4.063) 4.213 3.835 ( -0.618 -3.507 -0.765) 3.643 4.337 ( 4.124 5.304 2.106) 7.041 4.399 ( -1.468 2.614 1.392) 3.305 4.474 ( -0.309 2.204 2.523) 3.364 4.591 ( 1.336 3.740 1.996) 4.445 4.630 ( 1.504 0.417 -0.171) 1.570 4.683 ( -1.823 0.848 0.163) 2.017 4.731 ( -5.068 8.324 -1.286) 9.830 4.855 ( 0.118 5.309 -1.584) 5.542 4.937 ( 0.109 4.812 2.290) 5.330 4.994 ( 0.956 3.487 -1.084) 3.775 5.073 ( -2.601 0.531 -1.181) 2.906 5.097 ( 2.053 0.966 1.169) 2.552 5.150 ( 0.586 -0.156 0.827) 1.025 5.215 ( 2.451 1.458 1.630) 3.284 5.259 ( -2.825 -1.952 -1.524) 3.757 5.338 ( -0.305 -1.160 -0.437) 1.276 5.513 ( -2.120 -0.970 -1.605) 2.831 5.557 ( 0.464 3.133 -1.795) 3.640 5.607 ( 2.375 -1.536 1.511) 3.207 5.639 ( 4.000 0.504 1.027) 4.160 5.660 ( 2.747 -0.705 0.615) 2.902 5.667 ( 2.631 -1.536 2.263) 3.795 5.817 ( -1.714 5.873 0.454) 6.135 5.874 ( 2.076 2.398 1.274) 3.418 5.909 ( 0.575 -0.661 -0.600) 1.062 5.919 ( 0.793 2.699 0.409) 2.843 5.985 ( 1.299 3.532 0.940) 3.879 6.062 ( -2.878 1.037 -0.894) 3.187 6.125 ( 1.106 -0.143 -0.636) 1.284 6.177 ( -1.207 -1.559 1.423) 2.432 6.191 ( -2.504 2.133 -2.328) 4.030 6.257 ( -0.414 -0.749 -0.836) 1.197 6.299 ( -2.262 0.315 0.396) 2.318 6.312 ( 2.014 4.827 0.226) 5.235 6.328 ( 2.368 -1.371 1.956) 3.363 6.361 ( -0.675 2.771 0.228) 2.861 6.488 ( 1.067 4.453 2.174) 5.069 6.515 ( 2.331 6.501 1.604) 7.090 6.565 ( 0.074 0.639 0.006) 0.644 6.612 ( -2.367 -3.464 -3.342) 5.364 6.663 ( -0.909 3.006 0.684) 3.214 6.716 ( -5.964 6.199 -4.221) 9.582 6.737 ( -1.745 2.802 -2.871) 4.374 6.800 ( -1.594 7.547 -1.001) 7.778 6.880 ( -6.360 1.016 -4.247) 7.715 7.049 ( -8.437 8.723 -6.778) 13.900 7.163 ( 5.042 -4.771 6.607) 9.583 7.188 ( -2.562 0.351 1.578) 3.030 7.301 ( 2.960 -3.972 3.657) 6.158 7.394 ( 7.854 -8.341 2.428) 11.711 7.575 ( 5.715 -4.929 -4.448) 8.760 7.587 ( 7.597 -0.972 -4.483) 8.874 7.733 ( -0.914 -4.240 1.282) 4.523 7.898 ( -1.870 -9.175 2.554) 9.705 7.952 ( -5.128 -8.976 -2.460) 10.626 8.140 ( 3.272 -7.148 -2.621) 8.287 ======================= Grid point 80 (38/84) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 6.522 12.546 12.269) 18.720 1.238 ( 14.294 10.160 13.088) 21.883 1.549 ( 0.646 0.044 -12.809) 12.826 1.864 ( 4.550 0.258 -5.032) 6.789 1.898 ( 6.288 0.450 -3.145) 7.045 1.946 ( 4.786 -4.199 -0.815) 6.418 2.039 ( -1.190 2.737 -3.069) 4.281 2.060 ( 2.966 -2.465 -0.579) 3.900 2.130 ( 6.578 -0.673 -2.546) 7.085 2.182 ( -4.150 3.237 1.743) 5.544 2.230 ( 4.186 4.586 0.615) 6.240 2.336 ( 0.183 3.581 2.410) 4.320 2.356 ( 3.028 6.121 3.267) 7.570 2.422 ( 1.452 3.309 -1.112) 3.781 2.545 ( 1.143 0.598 1.157) 1.733 2.637 ( 1.369 3.030 0.049) 3.326 2.666 ( 0.475 0.918 -0.026) 1.033 2.689 ( -0.863 0.723 -1.205) 1.649 2.720 ( -0.661 5.252 -4.724) 7.094 2.776 ( -0.242 -0.499 0.275) 0.619 2.794 ( -0.237 0.702 -0.284) 0.793 2.818 ( 0.552 -1.268 1.054) 1.739 2.839 ( 1.677 0.934 4.746) 5.120 2.854 ( 0.278 -0.442 1.524) 1.611 2.892 ( 2.067 0.953 -1.454) 2.701 2.931 ( 1.254 1.232 2.752) 3.266 2.968 ( 2.684 -0.485 0.585) 2.789 3.000 ( -0.584 -0.626 0.102) 0.862 3.014 ( -0.105 2.177 -1.145) 2.462 3.092 ( -0.251 3.014 1.254) 3.274 3.136 ( -1.774 3.597 -0.753) 4.081 3.240 ( -1.020 1.018 0.215) 1.457 3.295 ( -1.641 1.916 -3.267) 4.128 3.343 ( 0.647 0.374 -1.147) 1.369 3.451 ( 1.912 -3.850 3.039) 5.264 3.532 ( -3.164 -3.268 -2.615) 5.247 3.604 ( -0.304 -2.650 1.866) 3.255 3.687 ( -1.866 -1.225 -4.227) 4.780 3.767 ( 0.781 -1.481 2.642) 3.128 3.791 ( -2.586 -2.220 -1.763) 3.837 4.390 ( 0.328 5.958 1.074) 6.063 4.407 ( -1.804 1.832 1.654) 3.057 4.500 ( -0.813 2.120 2.721) 3.544 4.602 ( -4.374 5.114 -0.288) 6.735 4.617 ( -3.111 2.561 -3.456) 5.309 4.668 ( -1.392 7.350 3.194) 8.134 4.690 ( 2.952 5.703 3.379) 7.257 4.801 ( -1.183 5.251 -3.328) 6.328 4.934 ( -3.640 1.143 1.446) 4.080 5.007 ( -3.618 -1.744 0.425) 4.039 5.027 ( -0.793 2.677 1.272) 3.068 5.128 ( 0.372 2.358 1.414) 2.774 5.178 ( 1.278 -2.564 1.207) 3.109 5.192 ( -2.653 -2.975 -1.126) 4.142 5.256 ( 0.208 -1.006 0.847) 1.332 5.298 ( -4.512 -4.082 -2.498) 6.577 5.481 ( 0.077 -0.064 -0.977) 0.982 5.511 ( -1.174 1.222 -3.760) 4.124 5.626 ( -0.869 -3.161 0.499) 3.316 5.644 ( -0.061 -0.816 0.429) 0.924 5.701 ( -0.419 -0.152 -1.499) 1.564 5.725 ( 1.401 -1.541 -1.256) 2.433 5.834 ( 1.645 0.495 1.736) 2.442 5.887 ( -1.656 -1.174 -2.731) 3.403 5.937 ( -0.507 4.440 2.257) 5.007 5.965 ( 1.075 3.917 2.062) 4.555 5.993 ( -2.442 3.937 2.175) 5.117 6.042 ( 2.221 7.583 1.183) 7.990 6.083 ( -2.910 0.756 -2.565) 3.952 6.145 ( 0.472 0.340 0.437) 0.728 6.156 ( -5.251 2.695 -2.816) 6.539 6.204 ( -1.293 -0.500 0.223) 1.404 6.279 ( -0.953 1.727 -0.090) 1.975 6.347 ( -0.440 1.905 -0.775) 2.103 6.370 ( 2.770 3.901 2.042) 5.202 6.402 ( 2.972 1.374 1.041) 3.436 6.498 ( 0.148 -0.341 -1.042) 1.106 6.514 ( 0.292 1.970 -1.631) 2.574 6.583 ( 0.124 4.648 3.343) 5.727 6.598 ( -1.351 4.000 -0.417) 4.242 6.623 ( 1.763 2.935 0.576) 3.472 6.673 ( -1.268 4.686 0.595) 4.891 6.687 ( -3.637 7.138 -1.587) 8.167 6.732 ( 1.486 3.525 2.599) 4.625 6.839 ( 2.512 2.893 -1.199) 4.015 6.883 ( -4.470 7.535 -5.165) 10.171 7.084 ( -8.182 4.854 0.721) 9.541 7.322 ( -0.046 -8.891 4.120) 9.799 7.377 ( 1.123 -7.106 -0.363) 7.203 7.437 ( -0.746 -7.954 -1.258) 8.087 7.540 ( 1.817 -0.718 -6.759) 7.035 7.614 ( 1.209 -7.911 -1.382) 8.121 7.738 ( 1.587 -3.423 -1.201) 3.960 7.923 ( 6.732 -2.167 -1.088) 7.155 8.012 ( 9.124 -16.412 5.198) 19.484 8.197 ( 8.972 -5.018 -2.878) 10.675 ======================= Grid point 81 (39/84) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 7.527 7.587 14.227) 17.794 1.414 ( 3.338 9.249 -9.628) 13.762 1.670 ( 18.705 6.134 14.149) 24.243 1.839 ( 7.939 6.654 -13.966) 17.388 1.935 ( -5.203 4.101 -5.757) 8.776 2.009 ( 9.554 -3.025 2.378) 10.300 2.051 ( 6.070 -0.863 3.130) 6.884 2.063 ( 2.845 -4.571 -0.552) 5.412 2.163 ( 2.175 -0.423 1.360) 2.600 2.250 ( 7.376 -4.596 0.503) 8.705 2.263 ( 1.869 6.265 -1.745) 6.766 2.397 ( 2.758 -0.062 2.549) 3.756 2.440 ( 6.476 0.901 0.389) 6.550 2.529 ( -2.377 -0.540 -1.150) 2.696 2.565 ( 4.872 8.188 4.819) 10.678 2.588 ( -1.131 3.524 -3.598) 5.161 2.632 ( -1.926 1.822 -0.668) 2.734 2.692 ( 3.077 0.177 0.757) 3.174 2.737 ( 2.828 2.618 1.695) 4.210 2.741 ( -1.621 0.621 -0.641) 1.850 2.792 ( 1.315 0.230 -2.494) 2.829 2.808 ( 0.616 -1.661 -0.176) 1.780 2.880 ( -0.275 1.325 -0.504) 1.444 2.898 ( -0.283 0.329 1.124) 1.205 2.925 ( 3.194 -0.340 0.899) 3.335 2.968 ( -0.278 1.325 -0.828) 1.587 2.975 ( 3.661 1.620 1.545) 4.291 3.014 ( 1.107 -0.524 0.159) 1.235 3.045 ( 2.196 -0.047 -0.312) 2.218 3.068 ( -0.087 1.165 0.660) 1.342 3.185 ( 0.959 5.656 0.265) 5.743 3.219 ( -2.388 1.737 0.430) 2.984 3.240 ( -1.735 2.408 0.563) 3.020 3.303 ( -2.015 -0.021 -1.802) 2.703 3.404 ( -4.589 -2.849 -3.344) 6.353 3.493 ( -3.086 -2.983 -0.772) 4.361 3.599 ( -3.709 -3.738 -1.166) 5.394 3.623 ( 0.150 -0.935 0.454) 1.050 3.751 ( -0.774 0.153 -0.986) 1.263 3.797 ( -0.425 -2.299 1.235) 2.644 4.344 ( -4.690 5.898 0.442) 7.548 4.382 ( -4.103 4.152 -3.528) 6.820 4.493 ( -2.348 1.675 -0.342) 2.905 4.542 ( -1.994 2.597 1.159) 3.473 4.591 ( -0.675 6.495 3.883) 7.597 4.678 ( -1.007 6.797 -0.025) 6.871 4.755 ( 0.804 2.432 0.780) 2.678 4.802 ( 1.054 5.992 1.681) 6.312 4.880 ( -6.311 0.818 0.620) 6.394 4.946 ( -1.080 2.268 -0.561) 2.574 5.056 ( -0.157 2.771 1.963) 3.400 5.091 ( -3.603 -1.101 -1.546) 4.072 5.154 ( -5.231 -1.769 -3.019) 6.293 5.173 ( -2.784 -0.558 0.098) 2.841 5.243 ( 0.707 -3.041 2.022) 3.720 5.253 ( -0.215 -1.760 0.917) 1.996 5.465 ( -1.207 1.233 -0.697) 1.861 5.478 ( -0.235 -0.380 0.011) 0.446 5.560 ( -4.377 -0.116 -1.530) 4.638 5.615 ( -2.214 -1.722 -3.966) 4.858 5.668 ( -2.974 -2.467 -2.896) 4.829 5.704 ( -0.669 -2.654 -0.966) 2.902 5.815 ( -0.680 1.134 -1.112) 1.728 5.844 ( -2.793 2.070 0.095) 3.478 5.910 ( -0.109 3.506 -0.988) 3.644 5.920 ( -2.960 3.576 -1.934) 5.029 6.013 ( -2.682 2.512 -0.900) 3.783 6.046 ( -0.774 6.559 -0.616) 6.633 6.101 ( 2.338 1.993 1.140) 3.277 6.115 ( 1.305 5.657 4.686) 7.461 6.167 ( -1.099 -1.313 1.079) 2.024 6.210 ( 0.046 -0.505 1.264) 1.362 6.264 ( -0.665 0.153 -0.000) 0.682 6.300 ( -1.877 0.105 -1.506) 2.409 6.367 ( -1.358 1.625 -2.558) 3.321 6.443 ( 2.458 0.748 -0.356) 2.594 6.522 ( 1.845 0.771 0.986) 2.230 6.531 ( -1.508 2.992 -0.137) 3.353 6.569 ( 0.609 0.570 -0.845) 1.188 6.617 ( 1.031 3.354 3.288) 4.809 6.657 ( -0.256 2.143 -0.857) 2.323 6.690 ( -0.093 5.527 4.684) 7.246 6.741 ( 2.517 1.915 -0.302) 3.177 6.777 ( 2.659 8.282 2.140) 8.958 6.810 ( 3.012 4.950 1.805) 6.069 6.946 ( 5.135 4.828 6.397) 9.519 7.009 ( -3.592 8.021 2.703) 9.195 7.230 ( -10.515 -7.851 -3.507) 13.583 7.276 ( -4.337 -1.687 -5.496) 7.202 7.391 ( -3.789 -4.414 -4.551) 7.386 7.562 ( 5.009 -3.777 -1.771) 6.518 7.607 ( 0.956 -3.997 1.249) 4.295 7.759 ( 5.563 -5.308 -3.390) 8.404 8.042 ( 8.757 -1.899 0.733) 8.991 8.188 ( 8.327 -12.941 -0.412) 15.394 8.309 ( 10.236 -12.655 0.320) 16.279 ======================= Grid point 82 (40/84) ======================= q-point: ( 0.38 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 7.185 13.491 -3.004) 15.577 1.638 ( 7.007 3.449 11.973) 14.295 1.714 ( -5.143 9.840 -7.230) 13.250 1.767 ( -1.794 12.949 -7.088) 14.871 2.033 ( 3.191 2.189 3.815) 5.434 2.104 ( 5.782 7.213 -0.310) 9.249 2.162 ( 3.902 2.142 -3.018) 5.378 2.187 ( 5.685 -2.666 3.303) 7.095 2.221 ( 8.283 1.004 4.739) 9.595 2.251 ( 4.226 -1.430 1.847) 4.829 2.348 ( 1.514 1.497 2.223) 3.078 2.450 ( 0.808 -1.047 -0.743) 1.517 2.471 ( -1.863 -3.218 0.921) 3.831 2.538 ( 1.490 -0.475 1.062) 1.890 2.572 ( 4.654 -0.903 0.655) 4.786 2.593 ( 3.299 -5.170 0.024) 6.133 2.643 ( 0.418 1.983 -1.999) 2.846 2.726 ( -0.518 -0.442 -0.812) 1.060 2.749 ( 0.922 0.728 1.146) 1.641 2.766 ( -0.329 -1.430 -2.196) 2.641 2.806 ( 3.581 1.702 0.675) 4.022 2.827 ( 3.906 0.306 -0.248) 3.926 2.893 ( 2.854 -0.073 0.350) 2.876 2.908 ( -0.589 -0.204 0.129) 0.636 2.947 ( -0.097 0.888 -1.137) 1.446 2.954 ( 0.039 -2.328 -0.789) 2.458 2.983 ( -1.542 0.519 -2.683) 3.137 3.031 ( -1.678 -2.551 -1.456) 3.383 3.087 ( 1.466 -1.001 -0.444) 1.830 3.109 ( 1.880 1.960 2.464) 3.668 3.133 ( -1.108 -0.640 -0.275) 1.309 3.171 ( -0.705 2.773 1.047) 3.046 3.219 ( -0.147 1.450 -1.105) 1.829 3.316 ( 0.909 1.551 2.685) 3.231 3.374 ( -5.566 1.397 -2.742) 6.361 3.391 ( -1.665 2.542 1.016) 3.204 3.540 ( -2.657 0.489 -1.414) 3.049 3.629 ( -0.639 -2.432 0.590) 2.583 3.722 ( -0.569 0.433 -1.469) 1.634 3.797 ( -0.489 -0.432 -0.063) 0.655 4.241 ( -4.120 5.045 -6.428) 9.152 4.330 ( -1.689 4.739 4.301) 6.619 4.461 ( -1.326 4.309 -0.131) 4.510 4.552 ( -0.890 0.432 0.139) 0.999 4.607 ( -2.471 2.969 -1.568) 4.169 4.665 ( 0.182 6.039 0.563) 6.068 4.731 ( -2.493 1.499 -1.740) 3.390 4.780 ( -2.937 5.082 2.684) 6.454 4.867 ( 2.176 5.282 1.362) 5.873 4.959 ( -2.216 2.451 -1.643) 3.690 4.976 ( -3.546 3.377 -1.428) 5.101 5.040 ( -2.802 -0.024 -1.447) 3.154 5.106 ( 1.107 0.533 0.556) 1.349 5.162 ( -1.374 0.202 -0.410) 1.448 5.229 ( -1.453 0.544 1.187) 1.953 5.292 ( -0.400 -0.223 -0.342) 0.572 5.433 ( -2.478 1.192 0.443) 2.785 5.448 ( -1.252 -1.026 1.054) 1.932 5.537 ( -0.763 -1.826 0.743) 2.114 5.564 ( -0.081 -4.021 0.708) 4.084 5.595 ( 0.354 -1.102 -0.948) 1.496 5.688 ( -0.969 0.707 -0.343) 1.248 5.805 ( -0.245 0.150 1.826) 1.848 5.836 ( -1.061 5.850 -1.888) 6.238 5.870 ( 0.149 1.496 1.213) 1.932 5.924 ( 1.322 1.098 0.408) 1.766 5.967 ( -2.048 2.210 -0.883) 3.140 6.025 ( 0.160 4.472 -1.551) 4.736 6.139 ( -0.237 -0.480 1.848) 1.924 6.153 ( -1.223 4.841 -0.715) 5.044 6.175 ( -0.271 -0.063 1.095) 1.129 6.208 ( -0.845 0.863 1.907) 2.257 6.246 ( -0.833 -2.134 -2.501) 3.391 6.281 ( -0.364 0.568 0.867) 1.098 6.340 ( 0.628 0.833 0.587) 1.197 6.460 ( 1.353 1.324 -0.926) 2.107 6.508 ( -0.996 6.725 -1.183) 6.900 6.550 ( -0.130 -0.287 0.919) 0.971 6.577 ( 1.127 -0.677 0.412) 1.378 6.595 ( -0.685 2.272 -3.665) 4.366 6.692 ( 0.936 3.348 2.013) 4.017 6.693 ( -1.848 1.738 -1.170) 2.794 6.741 ( 0.751 2.527 0.304) 2.654 6.835 ( 0.920 1.541 2.102) 2.764 6.928 ( 1.757 5.022 3.346) 6.285 6.965 ( -5.498 -1.798 0.598) 5.816 7.098 ( -1.610 -3.126 -0.987) 3.652 7.113 ( -0.906 7.191 0.512) 7.266 7.198 ( 0.628 8.816 -5.009) 10.159 7.263 ( -0.303 -0.508 6.733) 6.759 7.610 ( 1.256 -6.580 2.740) 7.237 7.653 ( 2.361 -2.396 1.068) 3.529 7.801 ( 5.776 -5.255 -2.293) 8.139 8.120 ( 4.535 -1.207 -4.786) 6.702 8.258 ( 5.530 -9.682 -1.144) 11.208 8.429 ( 5.330 -17.715 -0.744) 18.515 ======================= Grid point 83 (41/84) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -8.005 12.427 -1.965) 14.912 1.522 ( 1.616 12.601 1.821) 12.834 1.691 ( 8.357 13.225 -7.329) 17.276 1.838 ( -10.659 13.119 -11.083) 20.212 1.924 ( 6.121 0.519 11.639) 13.161 2.167 ( 1.838 -1.748 2.257) 3.396 2.185 ( -2.452 -1.078 -0.848) 2.810 2.230 ( -4.437 -2.380 -1.607) 5.285 2.316 ( 1.135 -2.411 4.569) 5.290 2.372 ( 2.069 2.181 1.998) 3.609 2.423 ( -3.408 0.960 4.695) 5.881 2.441 ( -3.457 -2.869 -0.490) 4.519 2.503 ( 4.740 1.061 3.441) 5.952 2.535 ( -2.523 -0.754 -1.063) 2.840 2.578 ( 1.486 -2.886 0.153) 3.250 2.617 ( 1.428 1.167 -0.017) 1.844 2.700 ( 1.579 1.433 0.801) 2.278 2.713 ( 0.205 1.058 -1.957) 2.234 2.734 ( -3.074 -1.350 0.071) 3.358 2.768 ( 2.053 -2.124 -0.126) 2.957 2.797 ( -3.759 1.380 -4.145) 5.763 2.847 ( 0.296 0.043 0.236) 0.382 2.877 ( -2.136 -1.058 -2.213) 3.253 2.896 ( 0.831 1.707 1.139) 2.214 2.940 ( 3.783 -0.495 0.013) 3.815 2.943 ( -1.155 -1.944 0.243) 2.274 2.981 ( 5.229 -0.621 0.606) 5.301 3.040 ( 2.147 -0.241 0.697) 2.270 3.082 ( -0.704 -0.890 -0.428) 1.213 3.107 ( -2.048 0.567 -1.622) 2.674 3.147 ( -1.988 2.770 0.002) 3.410 3.206 ( 1.568 1.618 -0.608) 2.334 3.220 ( -0.585 0.073 -0.005) 0.590 3.228 ( -5.239 -0.065 -1.500) 5.450 3.328 ( 1.645 1.947 -1.193) 2.815 3.436 ( 2.934 1.578 3.018) 4.495 3.533 ( 1.633 -1.189 0.575) 2.100 3.620 ( -0.546 -2.549 -0.719) 2.704 3.723 ( 2.207 1.214 -0.456) 2.560 3.779 ( -0.983 0.716 -0.966) 1.553 4.155 ( 2.194 5.029 -3.178) 6.341 4.388 ( 0.904 4.113 3.238) 5.313 4.447 ( -2.922 2.578 -5.743) 6.940 4.480 ( 1.386 3.489 1.383) 4.001 4.554 ( -1.539 2.443 -0.842) 3.008 4.678 ( -1.625 4.950 0.044) 5.210 4.715 ( 1.198 1.759 -1.404) 2.549 4.792 ( 0.778 3.562 2.186) 4.251 4.832 ( -4.390 3.865 -3.853) 7.004 4.902 ( 1.165 4.351 -2.265) 5.042 5.006 ( -0.112 5.752 1.227) 5.883 5.031 ( 3.891 -1.886 0.252) 4.331 5.084 ( -1.161 -2.038 -0.125) 2.349 5.137 ( -0.602 0.627 -0.396) 0.955 5.228 ( -0.946 0.361 -0.079) 1.015 5.238 ( -0.985 -1.906 -2.710) 3.456 5.475 ( 2.990 -0.335 4.672) 5.557 5.504 ( 1.687 -0.971 3.799) 4.269 5.535 ( -1.019 -0.716 1.872) 2.249 5.621 ( 3.644 -2.501 3.655) 5.735 5.639 ( 2.029 -0.835 3.852) 4.433 5.684 ( 0.082 0.004 0.813) 0.817 5.789 ( -0.588 4.089 -2.419) 4.787 5.858 ( 0.930 -0.350 4.539) 4.646 5.900 ( 0.284 4.430 0.541) 4.472 5.932 ( -0.142 2.619 0.430) 2.658 5.959 ( 1.715 0.956 0.388) 2.001 6.021 ( 1.121 1.838 -0.395) 2.189 6.071 ( -4.301 5.339 -4.847) 8.396 6.145 ( -0.970 -1.060 0.468) 1.512 6.173 ( -2.160 3.909 -0.857) 4.548 6.184 ( 0.271 -1.468 -1.861) 2.386 6.252 ( 1.041 1.851 1.971) 2.897 6.308 ( 0.637 0.918 2.859) 3.069 6.381 ( 1.788 1.113 2.261) 3.089 6.448 ( -0.460 7.524 -2.721) 8.014 6.479 ( 0.050 1.419 -0.656) 1.564 6.539 ( 0.843 1.580 -1.427) 2.290 6.559 ( -0.550 -0.204 -2.484) 2.553 6.594 ( -0.082 2.421 1.246) 2.724 6.646 ( -1.350 -0.043 -1.772) 2.228 6.695 ( -0.786 2.701 -0.061) 2.813 6.781 ( 1.386 4.396 1.725) 4.921 6.827 ( -5.608 5.305 -5.585) 9.528 6.863 ( -2.541 2.892 -4.332) 5.795 6.882 ( -2.364 1.853 0.233) 3.013 6.991 ( -4.474 4.541 -4.655) 7.894 7.132 ( 1.584 -7.156 3.507) 8.125 7.272 ( 4.764 -1.566 6.991) 8.603 7.449 ( 2.975 -0.742 8.865) 9.380 7.663 ( -0.571 -6.859 4.767) 8.372 7.704 ( 0.974 -0.235 3.023) 3.185 7.855 ( 2.835 -4.719 1.404) 5.682 8.062 ( 1.329 0.297 -8.437) 8.547 8.291 ( 0.441 -9.733 -2.331) 10.018 8.416 ( -1.089 -13.320 -4.943) 14.250 ======================= Grid point 84 (42/84) ======================= q-point: (-0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -14.251 18.055 0.701) 23.012 1.526 ( -14.551 14.398 -8.676) 22.233 1.674 ( 6.959 8.694 5.831) 12.571 1.765 ( 11.687 6.743 -4.646) 14.270 2.076 ( -10.294 0.555 0.282) 10.313 2.115 ( -1.197 1.061 4.576) 4.847 2.159 ( -1.964 -2.304 3.167) 4.382 2.200 ( -5.000 -3.092 0.977) 5.959 2.296 ( -9.640 5.935 -3.731) 11.919 2.321 ( -1.795 -2.962 1.962) 3.981 2.373 ( -1.248 -2.495 -1.898) 3.374 2.390 ( -6.681 -0.526 3.469) 7.546 2.464 ( -2.496 -1.517 0.738) 3.013 2.559 ( -5.247 1.865 0.155) 5.571 2.597 ( -1.244 -1.692 0.449) 2.148 2.624 ( 1.502 -0.980 2.193) 2.833 2.692 ( -1.962 3.139 -1.503) 3.995 2.709 ( 0.749 2.567 0.401) 2.704 2.723 ( -2.455 1.376 -1.584) 3.230 2.760 ( 1.749 1.859 2.402) 3.505 2.785 ( 0.953 -3.663 0.679) 3.846 2.817 ( -1.352 0.446 -0.536) 1.521 2.856 ( -1.796 -0.080 -0.502) 1.867 2.903 ( -4.508 0.507 -0.117) 4.538 2.936 ( -1.928 1.274 -1.907) 2.996 2.975 ( -1.740 0.978 1.134) 2.295 2.995 ( -1.772 -1.457 -1.763) 2.893 3.019 ( 0.729 1.532 0.937) 1.938 3.048 ( 0.746 1.953 -0.439) 2.136 3.087 ( -2.293 3.573 -2.843) 5.110 3.107 ( -3.357 -1.824 -0.509) 3.855 3.178 ( 4.917 1.688 1.075) 5.309 3.226 ( 3.745 -0.604 -0.598) 3.840 3.280 ( 7.203 2.000 1.140) 7.562 3.429 ( 5.393 -3.560 2.624) 6.974 3.450 ( -0.777 -3.715 -2.847) 4.744 3.558 ( -0.440 -2.373 -0.922) 2.584 3.625 ( 5.043 -1.747 0.225) 5.342 3.741 ( -0.512 2.357 -1.388) 2.782 3.761 ( 1.782 1.160 0.148) 2.132 4.234 ( 8.409 3.332 1.488) 9.167 4.298 ( -0.433 3.705 -7.167) 8.080 4.471 ( 1.744 4.270 2.139) 5.084 4.505 ( -0.640 1.425 -0.851) 1.779 4.590 ( 3.323 3.386 4.442) 6.500 4.636 ( -2.153 7.095 -2.209) 7.737 4.704 ( -1.384 1.299 -3.346) 3.847 4.734 ( 3.131 3.917 -1.733) 5.306 4.864 ( 2.234 3.624 1.270) 4.442 4.884 ( 1.886 0.942 -0.735) 2.233 4.968 ( -1.256 1.980 -2.087) 3.139 5.087 ( 4.031 -2.485 -1.102) 4.862 5.113 ( -0.207 0.564 -0.836) 1.030 5.135 ( 3.255 -1.590 -0.729) 3.695 5.221 ( 2.270 -1.535 2.162) 3.490 5.248 ( 0.107 -0.332 1.068) 1.124 5.529 ( -0.916 -0.163 0.761) 1.202 5.548 ( 1.076 0.617 1.778) 2.168 5.608 ( 2.081 -3.757 4.490) 6.214 5.652 ( -1.364 -2.928 0.277) 3.242 5.729 ( 1.382 2.113 3.087) 3.988 5.752 ( -0.363 1.340 0.077) 1.391 5.775 ( 5.970 0.039 3.120) 6.736 5.857 ( -2.649 1.504 -2.887) 4.197 5.930 ( 0.890 2.910 2.366) 3.854 5.946 ( -0.819 5.540 -2.246) 6.034 5.965 ( -0.533 1.830 -0.164) 1.913 6.001 ( 3.122 1.794 0.408) 3.624 6.041 ( 0.857 1.277 0.577) 1.642 6.121 ( 0.784 0.976 -2.073) 2.422 6.141 ( -1.586 4.449 0.815) 4.793 6.179 ( 0.305 -0.020 -0.123) 0.329 6.284 ( 0.265 3.737 0.814) 3.834 6.350 ( 1.106 1.216 -0.434) 1.700 6.388 ( -2.545 6.665 -0.454) 7.149 6.444 ( 1.246 2.775 1.283) 3.301 6.485 ( 0.822 -0.344 -0.250) 0.926 6.521 ( 0.460 0.818 -0.307) 0.988 6.553 ( 0.951 4.059 0.256) 4.177 6.604 ( -1.685 1.844 -1.218) 2.779 6.619 ( 1.112 4.737 1.775) 5.179 6.645 ( -3.911 6.105 -3.757) 8.166 6.688 ( -1.419 2.965 -1.573) 3.644 6.746 ( -0.798 4.242 -2.705) 5.094 6.881 ( 1.848 3.785 4.255) 5.988 6.906 ( -1.085 2.959 -0.171) 3.156 6.936 ( 3.176 1.997 2.342) 4.423 7.150 ( 2.243 -10.282 -4.231) 11.342 7.429 ( 2.768 -4.319 8.194) 9.668 7.530 ( -2.899 -8.072 4.450) 9.662 7.690 ( -5.393 -6.779 -3.188) 9.230 7.700 ( -1.516 -7.703 1.862) 8.068 7.903 ( -3.599 -3.921 5.366) 7.558 8.029 ( 4.112 5.673 0.405) 7.019 8.156 ( -8.798 -12.289 -8.532) 17.356 8.329 ( -1.551 -4.187 -5.376) 6.988 ======================= Grid point 85 (43/84) ======================= q-point: (-0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -12.550 20.825 3.715) 24.597 1.231 ( -17.048 16.021 -2.449) 23.523 1.790 ( -6.227 12.714 -5.050) 15.030 1.821 ( 0.070 12.027 2.044) 12.199 1.899 ( -2.787 -1.301 2.648) 4.058 2.075 ( -3.183 0.218 -0.355) 3.210 2.117 ( -3.672 0.282 1.613) 4.021 2.160 ( -3.883 0.481 0.126) 3.915 2.235 ( -1.915 0.611 1.410) 2.455 2.319 ( -4.901 -0.620 1.198) 5.084 2.353 ( -0.813 -3.900 0.891) 4.082 2.401 ( -0.798 -0.703 7.128) 7.207 2.441 ( -4.565 -1.698 1.083) 4.990 2.487 ( -4.458 1.220 1.507) 4.862 2.539 ( -3.980 2.999 -2.772) 5.703 2.613 ( -5.407 0.713 -1.994) 5.807 2.660 ( -0.020 -0.651 -3.389) 3.451 2.691 ( 1.560 -0.342 -1.229) 2.015 2.709 ( -3.705 3.995 -0.792) 5.506 2.746 ( -1.099 2.621 0.105) 2.844 2.783 ( -0.967 -1.906 -0.659) 2.236 2.800 ( -3.305 -1.635 0.264) 3.697 2.809 ( -0.872 -0.625 -0.753) 1.311 2.834 ( -0.477 -0.108 1.126) 1.228 2.882 ( -2.363 0.806 0.482) 2.542 2.956 ( -0.989 -2.763 -1.211) 3.175 2.995 ( -1.358 -4.294 -1.208) 4.663 3.010 ( 0.100 1.099 2.545) 2.774 3.015 ( -1.542 -2.598 -1.343) 3.306 3.093 ( 3.344 0.765 2.309) 4.135 3.145 ( 0.662 -0.283 -1.251) 1.444 3.263 ( 1.945 -0.451 -2.131) 2.920 3.269 ( 4.256 3.314 4.696) 7.152 3.322 ( -0.027 0.169 -1.227) 1.239 3.421 ( 4.049 -1.153 -2.059) 4.687 3.501 ( -0.677 2.527 -2.727) 3.779 3.534 ( 3.392 -1.979 0.851) 4.019 3.693 ( 1.285 0.511 -1.080) 1.755 3.740 ( 3.851 -0.406 0.456) 3.899 3.801 ( 2.250 -0.604 0.618) 2.410 4.215 ( 2.978 3.905 -4.785) 6.857 4.399 ( 5.427 1.200 1.612) 5.788 4.480 ( 0.145 1.906 1.537) 2.453 4.529 ( 1.777 7.223 -0.707) 7.472 4.550 ( 0.258 3.657 -1.936) 4.146 4.653 ( 1.325 3.074 0.263) 3.358 4.701 ( -0.737 -1.652 0.890) 2.016 4.797 ( 5.324 6.741 1.784) 8.773 4.896 ( 1.814 3.666 0.351) 4.105 4.931 ( 4.894 5.915 -1.222) 7.774 4.992 ( 4.950 -0.892 3.177) 5.949 5.061 ( 0.376 0.763 -3.205) 3.316 5.154 ( 0.863 -1.291 -0.073) 1.554 5.171 ( 3.507 -0.849 1.534) 3.921 5.230 ( -0.980 1.421 -2.789) 3.280 5.288 ( 3.176 -1.436 0.746) 3.564 5.521 ( -0.646 0.236 0.746) 1.014 5.564 ( 0.157 1.853 -1.234) 2.232 5.587 ( -1.607 -1.728 -1.889) 3.022 5.678 ( -0.170 -1.985 0.504) 2.056 5.724 ( -1.987 -1.157 -1.233) 2.609 5.742 ( -3.304 3.866 -3.855) 6.381 5.769 ( -1.337 1.351 -0.604) 1.995 5.878 ( 3.183 2.005 0.675) 3.822 5.919 ( -0.581 0.664 0.436) 0.984 5.957 ( -1.362 1.127 0.032) 1.769 5.974 ( 1.064 2.023 0.997) 2.494 6.011 ( -0.362 2.083 -0.400) 2.152 6.074 ( 4.076 -1.338 0.740) 4.353 6.154 ( 2.096 1.713 0.071) 2.708 6.173 ( 4.187 2.554 1.875) 5.251 6.188 ( 0.775 1.850 1.134) 2.304 6.262 ( -1.448 2.244 -1.150) 2.907 6.333 ( -0.169 2.194 -1.050) 2.438 6.361 ( -1.961 4.493 0.422) 4.921 6.425 ( -3.052 1.471 -1.021) 3.539 6.509 ( -0.926 3.699 -1.424) 4.071 6.514 ( -0.864 3.460 -2.375) 4.285 6.532 ( 0.450 3.941 -0.584) 4.009 6.602 ( 0.853 -0.281 2.042) 2.231 6.649 ( 3.070 4.792 4.857) 7.482 6.687 ( 2.719 5.776 3.717) 7.387 6.721 ( 4.241 4.119 4.069) 7.177 6.734 ( 1.158 1.518 -0.493) 1.972 6.883 ( -0.391 1.574 0.228) 1.638 6.985 ( 4.099 5.647 4.582) 8.348 7.058 ( 4.524 -2.960 5.623) 7.801 7.120 ( 4.466 -4.114 -6.762) 9.088 7.474 ( -8.819 -5.927 -2.575) 10.933 7.519 ( -1.741 -8.241 -2.499) 8.786 7.551 ( -3.292 -3.223 2.078) 5.054 7.665 ( -2.853 -8.812 -2.179) 9.515 7.804 ( -9.282 -4.686 -7.649) 12.908 7.976 ( -6.736 -6.335 2.594) 9.604 8.118 ( -0.678 -2.457 4.027) 4.766 8.230 ( -2.337 -3.806 -4.502) 6.341 ======================= Grid point 86 (44/84) ======================= q-point: (-0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -18.587 16.239 4.983) 25.180 1.052 ( -7.230 23.703 0.476) 24.785 1.649 ( -6.861 26.228 7.302) 28.076 1.811 ( -7.593 -9.639 -2.399) 12.503 1.888 ( 3.519 7.072 1.213) 7.991 2.046 ( -4.943 -0.154 -0.965) 5.039 2.122 ( 0.476 3.578 -2.525) 4.405 2.134 ( -2.576 2.391 1.941) 4.015 2.198 ( -2.240 1.331 -4.528) 5.224 2.252 ( -2.691 1.273 -1.091) 3.171 2.302 ( -3.834 -0.272 -4.965) 6.278 2.374 ( 0.080 -0.671 0.795) 1.044 2.431 ( 0.142 3.194 -2.132) 3.843 2.471 ( -3.932 -0.456 -0.895) 4.058 2.515 ( -1.056 -3.711 4.151) 5.667 2.534 ( -3.535 1.953 -1.162) 4.202 2.574 ( -1.411 -1.494 2.855) 3.517 2.689 ( -0.531 -0.756 -0.983) 1.349 2.700 ( -0.589 2.150 1.190) 2.527 2.734 ( -0.105 -0.450 0.452) 0.646 2.759 ( -0.997 -0.659 -0.079) 1.198 2.801 ( 0.263 -1.586 2.123) 2.663 2.827 ( -0.023 -0.449 1.356) 1.429 2.842 ( 1.094 -0.075 0.461) 1.189 2.879 ( -1.614 0.859 1.884) 2.625 2.917 ( -2.098 -0.742 -0.242) 2.238 2.958 ( -0.060 -6.420 -4.005) 7.567 3.012 ( 0.677 -3.890 1.112) 4.102 3.052 ( -0.253 -0.954 1.980) 2.212 3.099 ( 0.061 -0.560 -0.071) 0.568 3.145 ( 0.550 0.799 -1.345) 1.659 3.239 ( 1.506 -0.663 -1.094) 1.976 3.306 ( 0.895 0.960 -2.270) 2.622 3.365 ( -1.228 0.609 -3.608) 3.859 3.434 ( 4.041 2.339 6.229) 7.784 3.518 ( 1.049 3.312 -1.826) 3.925 3.557 ( 1.539 0.373 -0.548) 1.676 3.690 ( 0.833 1.931 0.500) 2.161 3.783 ( 2.434 -2.105 -2.061) 3.822 3.830 ( 1.396 -2.123 0.132) 2.545 4.248 ( 5.846 4.701 -0.342) 7.510 4.434 ( -4.205 4.410 -0.110) 6.094 4.441 ( 0.952 0.605 1.382) 1.784 4.556 ( 1.902 2.992 0.407) 3.568 4.620 ( 1.770 1.752 0.301) 2.509 4.685 ( 1.126 -1.165 1.163) 1.995 4.714 ( 3.789 3.584 1.892) 5.548 4.853 ( 0.705 5.063 -0.291) 5.121 4.922 ( 0.654 7.253 0.256) 7.287 5.014 ( 5.502 8.143 1.479) 9.938 5.026 ( 0.316 2.017 -2.231) 3.024 5.090 ( 1.827 1.460 0.637) 2.424 5.137 ( 0.095 -2.136 -1.046) 2.380 5.186 ( 0.391 2.437 -0.658) 2.554 5.263 ( 3.632 -0.147 2.439) 4.377 5.333 ( 2.074 0.632 0.137) 2.173 5.524 ( 0.517 -1.035 0.139) 1.165 5.536 ( 1.433 0.895 -1.711) 2.404 5.581 ( -0.568 1.876 -0.827) 2.128 5.612 ( -2.301 0.976 -2.418) 3.477 5.647 ( -0.559 -0.039 -1.415) 1.522 5.683 ( -2.138 -1.358 -0.971) 2.713 5.797 ( 2.314 4.604 0.984) 5.246 5.884 ( -1.846 2.784 -0.673) 3.408 5.914 ( -0.341 -1.000 -0.735) 1.287 5.931 ( -0.764 1.126 -0.824) 1.591 5.962 ( 0.934 3.202 -0.602) 3.390 6.080 ( 3.015 -1.012 3.060) 4.413 6.102 ( 0.137 -1.589 -1.453) 2.157 6.169 ( -0.481 0.156 0.991) 1.113 6.217 ( 1.942 2.166 0.574) 2.966 6.239 ( 1.793 -2.823 0.263) 3.355 6.271 ( 2.037 3.840 0.609) 4.389 6.312 ( -2.268 0.398 -0.724) 2.414 6.332 ( -1.012 1.845 0.411) 2.144 6.379 ( -2.455 3.923 0.362) 4.642 6.473 ( -0.039 7.239 -0.349) 7.248 6.478 ( 0.056 5.708 -0.816) 5.766 6.556 ( 0.708 -1.942 0.108) 2.070 6.646 ( 1.211 -1.762 1.747) 2.761 6.682 ( -1.415 -1.242 -1.491) 2.402 6.754 ( 3.447 2.254 0.458) 4.144 6.796 ( 0.060 5.071 1.389) 5.258 6.799 ( 0.004 9.017 1.269) 9.106 6.955 ( 5.933 -0.449 6.808) 9.042 7.038 ( -4.770 -1.935 -3.422) 6.181 7.134 ( 4.437 6.359 3.734) 8.606 7.171 ( 4.129 -8.039 2.862) 9.479 7.326 ( -2.261 -4.014 -3.207) 5.613 7.366 ( -12.609 3.585 -8.026) 15.371 7.513 ( 8.003 -0.895 -4.560) 9.255 7.594 ( -1.007 -7.376 -3.581) 8.261 7.721 ( -0.086 -5.676 1.652) 5.912 7.928 ( -6.475 -6.433 3.087) 9.635 8.064 ( -3.615 -5.405 -4.226) 7.755 8.177 ( -4.503 -10.282 0.604) 11.241 ======================= Grid point 87 (45/84) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.670 16.243 2.418) 16.436 1.422 ( -1.477 18.135 -2.093) 18.315 1.478 ( 0.387 -10.590 -2.135) 10.810 1.780 ( -0.230 -13.915 -3.190) 14.277 1.927 ( -2.399 0.247 -5.219) 5.749 1.949 ( -3.994 -2.198 -7.732) 8.976 2.082 ( -1.953 1.205 -7.117) 7.478 2.096 ( -1.509 -0.620 -5.287) 5.533 2.136 ( 1.830 3.476 -2.377) 4.591 2.193 ( -0.769 -2.311 -0.052) 2.436 2.303 ( -2.210 4.684 4.039) 6.568 2.355 ( -3.091 -1.540 0.532) 3.494 2.462 ( 2.171 7.002 2.585) 7.774 2.499 ( -1.041 2.127 1.278) 2.691 2.581 ( -1.159 3.655 1.087) 3.985 2.612 ( 3.039 0.576 4.636) 5.573 2.654 ( 0.940 -0.316 3.568) 3.703 2.675 ( 3.686 2.554 1.499) 4.728 2.726 ( 1.928 -0.729 2.825) 3.497 2.736 ( 1.959 -3.130 4.057) 5.485 2.781 ( 1.479 1.551 1.358) 2.538 2.798 ( -0.131 1.354 -1.019) 1.700 2.820 ( 0.695 -1.296 -1.375) 2.013 2.847 ( 1.360 -2.457 0.225) 2.817 2.858 ( -1.646 0.310 0.502) 1.748 2.878 ( -0.545 -1.624 0.060) 1.714 2.953 ( 0.002 2.328 3.675) 4.350 2.988 ( -0.973 -1.202 2.681) 3.095 3.083 ( 0.048 3.128 1.528) 3.482 3.133 ( 1.507 -1.373 1.929) 2.807 3.153 ( -0.313 2.104 0.808) 2.276 3.224 ( 1.027 -3.716 1.608) 4.178 3.308 ( 0.137 3.118 -2.765) 4.169 3.347 ( -0.044 -0.513 -0.793) 0.945 3.496 ( -1.061 1.366 -1.778) 2.480 3.539 ( -0.944 -2.708 -1.320) 3.157 3.586 ( 0.112 5.101 -1.990) 5.476 3.689 ( -0.217 -4.798 -2.157) 5.265 3.754 ( 0.214 1.052 -0.742) 1.305 3.779 ( 0.128 -1.863 -0.758) 2.016 4.442 ( 1.817 4.578 2.581) 5.561 4.450 ( -0.146 2.529 1.518) 2.953 4.500 ( -0.464 1.060 2.247) 2.527 4.570 ( 2.867 -4.666 1.383) 5.648 4.656 ( 0.229 2.205 2.425) 3.285 4.683 ( -0.337 -0.616 3.654) 3.721 4.893 ( -3.089 7.740 -1.464) 8.461 4.934 ( 2.701 3.537 0.146) 4.453 5.009 ( -0.258 -1.316 -1.839) 2.276 5.039 ( 1.077 -4.263 -0.489) 4.424 5.062 ( -1.132 4.022 -0.520) 4.211 5.084 ( -3.777 2.039 -3.975) 5.850 5.195 ( -2.062 0.812 -0.982) 2.424 5.212 ( -3.656 -2.449 -3.026) 5.341 5.242 ( 2.685 2.306 0.705) 3.609 5.295 ( -0.715 -2.873 -1.854) 3.493 5.512 ( -1.424 1.082 -0.683) 1.915 5.554 ( -0.552 -3.109 0.352) 3.177 5.602 ( 0.097 1.167 -3.211) 3.418 5.626 ( 3.151 -1.174 -0.703) 3.436 5.645 ( 4.052 0.504 1.295) 4.284 5.657 ( 3.267 -0.529 0.673) 3.378 5.865 ( -0.558 0.382 -1.027) 1.229 5.881 ( 0.203 -1.457 -0.532) 1.564 5.978 ( 0.100 6.120 3.733) 7.169 5.990 ( 0.226 3.539 1.566) 3.877 6.040 ( 0.483 1.465 0.436) 1.603 6.072 ( -0.362 0.132 0.495) 0.627 6.119 ( -2.382 -2.835 -0.399) 3.724 6.137 ( -0.361 -1.175 1.207) 1.723 6.204 ( 2.138 1.320 1.647) 3.004 6.242 ( 3.869 -1.863 2.506) 4.972 6.326 ( -2.173 3.411 -2.469) 4.738 6.367 ( 0.046 4.511 0.613) 4.552 6.379 ( -1.410 -0.347 -1.311) 1.956 6.411 ( 1.978 3.200 -0.834) 3.853 6.504 ( -0.170 -2.797 -0.203) 2.809 6.527 ( 0.085 -3.625 -1.473) 3.914 6.608 ( 1.095 6.259 2.755) 6.926 6.680 ( 1.845 6.456 0.401) 6.726 6.743 ( -0.771 -0.089 -0.576) 0.966 6.775 ( 1.237 6.340 1.778) 6.700 6.829 ( -3.171 5.295 -3.283) 6.991 6.859 ( -2.227 -1.014 -0.636) 2.529 6.951 ( -2.581 -1.689 -1.409) 3.392 7.025 ( 0.693 -10.976 1.370) 11.083 7.084 ( -3.707 1.212 2.229) 4.492 7.159 ( 0.510 5.299 1.342) 5.490 7.300 ( -0.395 0.823 0.312) 0.965 7.402 ( -4.312 -1.434 -0.330) 4.557 7.410 ( -4.449 -11.643 1.624) 12.569 7.497 ( 1.449 8.369 2.636) 8.893 7.597 ( -2.095 -9.797 0.542) 10.033 7.701 ( -2.206 -11.139 0.993) 11.399 7.959 ( 7.118 5.296 -7.961) 11.920 8.049 ( 7.526 -4.162 -5.386) 10.147 ======================= Grid point 88 (46/84) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 14.270 12.358 4.161) 19.330 1.442 ( 5.317 9.859 2.805) 11.548 1.518 ( 9.279 -1.164 -3.171) 9.875 1.743 ( 5.512 -13.363 -6.733) 15.946 1.863 ( 3.135 -0.960 -3.204) 4.584 1.877 ( 4.864 -2.379 -3.093) 6.236 1.999 ( 1.726 -1.839 -4.901) 5.512 2.014 ( 0.534 -3.029 -5.331) 6.154 2.160 ( 2.239 3.397 -0.567) 4.108 2.199 ( 1.377 -0.433 -0.337) 1.482 2.313 ( 0.151 2.593 1.423) 2.962 2.344 ( 1.172 -0.832 1.234) 1.895 2.470 ( -3.765 5.146 1.136) 6.477 2.536 ( -0.899 -0.910 1.256) 1.793 2.606 ( 1.222 5.904 4.017) 7.245 2.643 ( -2.651 -0.983 2.149) 3.551 2.682 ( 1.129 3.641 2.006) 4.307 2.756 ( 1.394 0.216 0.526) 1.505 2.769 ( -1.203 1.133 -1.624) 2.317 2.784 ( 0.637 2.718 -0.039) 2.792 2.799 ( 0.485 0.041 0.989) 1.103 2.826 ( 1.104 0.421 -1.604) 1.992 2.831 ( 3.476 -0.429 2.984) 4.601 2.859 ( 1.445 -0.516 2.213) 2.693 2.900 ( 3.289 -0.427 2.885) 4.395 2.910 ( 3.021 -0.918 0.762) 3.248 2.978 ( -0.801 0.938 0.469) 1.320 2.988 ( -1.061 -0.374 0.611) 1.280 3.087 ( 0.123 4.834 0.150) 4.838 3.152 ( -0.289 0.416 -0.319) 0.599 3.216 ( 1.400 3.852 6.563) 7.738 3.263 ( -0.800 3.812 -2.555) 4.659 3.298 ( 1.059 -2.975 2.930) 4.307 3.335 ( 1.221 -1.555 -0.784) 2.127 3.424 ( -3.199 0.412 -2.724) 4.221 3.461 ( -4.748 -3.098 -3.856) 6.856 3.565 ( -1.298 0.278 -0.279) 1.356 3.627 ( -2.660 -4.694 -3.589) 6.480 3.761 ( 0.984 0.747 0.165) 1.246 3.774 ( 0.339 -0.423 -0.665) 0.858 4.448 ( -2.194 2.602 3.095) 4.600 4.484 ( -0.392 0.525 1.448) 1.589 4.531 ( -1.131 3.828 1.649) 4.318 4.606 ( -0.735 -2.660 -0.281) 2.774 4.694 ( -1.053 4.074 2.012) 4.664 4.739 ( 0.756 0.170 4.016) 4.090 4.826 ( -2.277 6.983 1.111) 7.428 4.883 ( -3.169 2.055 -3.355) 5.052 4.957 ( -3.877 1.848 -0.998) 4.409 4.990 ( -2.412 -0.759 0.122) 2.531 5.048 ( -0.659 0.024 -0.330) 0.738 5.094 ( 1.747 -4.673 0.571) 5.021 5.151 ( -0.639 0.304 0.690) 0.988 5.176 ( -1.291 -0.351 -0.093) 1.342 5.233 ( -3.331 -1.345 -3.113) 4.753 5.241 ( -1.470 -0.759 -2.189) 2.744 5.488 ( -0.953 1.396 -0.383) 1.733 5.531 ( -1.877 -1.259 -1.380) 2.648 5.569 ( 0.378 -0.094 -0.766) 0.859 5.612 ( -0.066 -2.673 -1.122) 2.900 5.694 ( -0.145 -0.205 -2.695) 2.706 5.702 ( 1.117 -0.784 -1.602) 2.105 5.839 ( -0.413 0.449 -0.942) 1.122 5.856 ( -0.942 -1.399 -1.542) 2.285 6.007 ( -0.784 3.406 1.992) 4.023 6.047 ( -0.721 1.536 1.159) 2.055 6.057 ( 1.268 2.864 3.589) 4.763 6.075 ( -0.755 -0.185 0.951) 1.229 6.117 ( -0.345 -0.356 2.641) 2.688 6.142 ( -0.063 -1.559 0.374) 1.604 6.215 ( -1.709 5.138 -0.639) 5.453 6.256 ( -2.038 4.929 -1.649) 5.583 6.295 ( 0.065 -0.495 -0.231) 0.550 6.338 ( -0.706 -3.064 -1.947) 3.698 6.433 ( 3.002 3.401 2.215) 5.049 6.448 ( 2.405 3.571 0.551) 4.340 6.480 ( 0.466 -1.803 0.092) 1.865 6.523 ( 1.397 -2.266 -1.526) 3.068 6.647 ( -1.509 3.306 0.260) 3.643 6.678 ( -3.063 1.903 -1.981) 4.115 6.713 ( -0.594 3.485 -0.208) 3.541 6.733 ( -2.416 4.512 -0.326) 5.129 6.808 ( -1.341 3.558 0.675) 3.862 6.844 ( 2.210 8.428 1.590) 8.857 6.914 ( -1.993 3.258 1.234) 4.014 7.003 ( -3.107 0.145 -2.325) 3.883 7.068 ( -2.956 -5.293 4.120) 7.330 7.137 ( -5.013 -9.284 -0.188) 10.552 7.302 ( -0.809 5.273 2.351) 5.829 7.384 ( -1.906 -0.448 -0.008) 1.958 7.418 ( 3.996 -4.979 1.616) 6.585 7.497 ( -0.391 -6.246 2.393) 6.700 7.654 ( 6.110 -4.132 -1.074) 7.454 7.723 ( 6.094 -11.689 0.150) 13.183 7.994 ( 9.878 6.583 -6.388) 13.480 8.108 ( 9.309 -5.209 -5.065) 11.809 ======================= Grid point 89 (47/84) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 8.488 10.775 3.654) 14.195 1.600 ( 7.170 9.377 -1.792) 11.939 1.711 ( 18.708 -2.226 5.134) 19.528 1.803 ( 15.127 -6.802 -6.120) 17.679 1.942 ( 7.695 -1.149 0.980) 7.841 1.980 ( 2.939 -3.403 -1.804) 4.845 2.002 ( 8.407 -1.257 1.691) 8.667 2.019 ( 9.666 -2.119 1.998) 10.095 2.151 ( -0.532 1.052 -0.758) 1.401 2.205 ( -2.250 -0.665 1.264) 2.665 2.359 ( 3.068 3.960 1.237) 5.160 2.406 ( 2.622 -0.978 1.645) 3.246 2.450 ( -0.979 2.853 1.563) 3.397 2.509 ( -2.161 -1.693 -0.221) 2.754 2.604 ( -3.745 0.662 -0.301) 3.815 2.641 ( 0.140 -2.011 -0.133) 2.020 2.702 ( -3.734 3.144 -3.238) 5.858 2.719 ( -0.795 1.027 0.583) 1.424 2.769 ( -0.238 1.704 -0.246) 1.738 2.786 ( 0.244 0.469 -1.706) 1.786 2.807 ( 0.985 2.733 1.310) 3.187 2.833 ( 3.846 2.715 -0.388) 4.724 2.874 ( 0.456 -0.621 -3.176) 3.269 2.916 ( 1.112 -1.012 -0.478) 1.578 2.928 ( 0.913 1.262 0.759) 1.733 2.943 ( 1.000 -1.584 1.950) 2.704 3.005 ( 2.742 1.344 0.082) 3.055 3.014 ( 3.290 0.407 1.635) 3.696 3.096 ( -1.430 4.195 -1.939) 4.838 3.116 ( -0.782 3.365 0.984) 3.592 3.224 ( -3.828 -1.450 -1.749) 4.451 3.246 ( -5.375 -2.340 -2.602) 6.414 3.276 ( -1.138 2.064 -0.180) 2.364 3.294 ( -1.231 0.020 -1.314) 1.801 3.408 ( 1.460 3.431 2.943) 4.750 3.458 ( 1.426 -0.966 2.916) 3.387 3.526 ( -3.445 -2.106 -0.560) 4.077 3.569 ( -1.152 -4.567 0.053) 4.711 3.762 ( 0.053 0.790 -1.070) 1.331 3.773 ( 0.400 -0.501 -0.418) 0.766 4.438 ( -4.127 3.813 0.785) 5.674 4.476 ( -4.589 3.878 -3.247) 6.830 4.500 ( -0.172 0.201 1.465) 1.489 4.554 ( -2.030 -1.426 -0.753) 2.593 4.696 ( -2.959 4.608 3.298) 6.393 4.765 ( -2.045 -1.580 0.554) 2.643 4.809 ( -1.730 5.126 0.938) 5.491 4.858 ( -1.458 -0.262 0.156) 1.490 4.916 ( -2.572 4.730 -0.457) 5.403 5.008 ( 2.258 -1.516 3.353) 4.317 5.028 ( -0.175 2.083 -0.836) 2.251 5.127 ( -3.196 -0.978 -1.120) 3.525 5.132 ( -2.121 2.023 -0.912) 3.070 5.146 ( 0.444 -4.283 1.622) 4.602 5.172 ( -0.315 -0.981 1.060) 1.478 5.205 ( -0.384 -3.103 0.066) 3.127 5.483 ( -0.568 1.011 1.453) 1.859 5.492 ( -1.614 0.911 -0.275) 1.874 5.560 ( -3.161 0.739 -0.905) 3.370 5.592 ( -1.914 -0.193 -3.599) 4.081 5.606 ( -5.367 -2.879 -4.052) 7.315 5.634 ( 0.373 -3.926 -2.230) 4.530 5.825 ( -0.304 0.989 -0.685) 1.241 5.850 ( 0.274 -1.255 0.438) 1.357 5.988 ( -2.451 3.541 -0.894) 4.398 6.027 ( -2.302 1.933 -1.376) 3.306 6.059 ( -2.193 5.088 0.694) 5.583 6.106 ( 0.860 1.588 0.362) 1.842 6.125 ( -0.698 -1.559 0.964) 1.962 6.155 ( -0.005 -0.204 -0.283) 0.349 6.185 ( -1.163 3.267 2.023) 4.014 6.260 ( 0.802 3.568 0.147) 3.660 6.271 ( -3.138 -1.658 -0.969) 3.679 6.288 ( -0.763 -0.807 -0.527) 1.229 6.412 ( -0.320 5.150 -2.016) 5.540 6.471 ( 0.020 2.562 -2.321) 3.457 6.509 ( 1.640 -2.224 -0.456) 2.800 6.530 ( 0.973 -2.489 -0.574) 2.734 6.638 ( -1.014 5.016 1.902) 5.460 6.660 ( 0.805 1.275 2.052) 2.547 6.679 ( -0.323 0.601 -0.099) 0.689 6.749 ( -1.487 -2.205 1.737) 3.176 6.792 ( -1.374 4.301 0.555) 4.550 6.866 ( -2.681 -0.915 0.498) 2.876 6.895 ( -3.199 0.357 -1.448) 3.530 6.957 ( 0.322 2.507 2.107) 3.290 7.072 ( -3.415 -4.729 -0.051) 5.833 7.130 ( 0.565 -1.173 6.979) 7.100 7.328 ( -4.521 4.793 0.304) 6.596 7.370 ( 3.687 6.312 5.135) 8.933 7.468 ( 2.196 -1.142 -2.630) 3.611 7.577 ( 5.807 -3.083 0.706) 6.612 7.705 ( 6.261 -0.346 -0.861) 6.329 7.861 ( 10.209 -17.368 0.280) 20.149 8.054 ( 8.663 3.676 -4.097) 10.264 8.155 ( 7.617 -6.342 -5.813) 11.491 ======================= Grid point 90 (48/84) ======================= q-point: ( 0.38 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 7.339 12.536 -0.999) 14.561 1.724 ( 7.723 4.627 4.595) 10.107 1.832 ( 2.307 2.439 -3.677) 4.979 1.948 ( 4.227 -7.315 0.019) 8.448 1.966 ( -0.060 7.098 -3.626) 7.970 2.075 ( 9.043 -4.258 -0.136) 9.997 2.142 ( 5.186 -2.012 3.318) 6.477 2.175 ( -3.001 -3.162 3.283) 5.457 2.263 ( 13.461 2.212 7.858) 15.743 2.290 ( 8.957 0.440 1.169) 9.044 2.378 ( 1.014 2.666 1.031) 3.033 2.423 ( 1.923 -0.725 -1.944) 2.829 2.435 ( -3.341 1.141 2.271) 4.198 2.513 ( -1.138 -4.123 0.160) 4.280 2.563 ( 0.092 2.862 -0.030) 2.864 2.599 ( -2.033 3.559 -2.185) 4.645 2.634 ( -0.398 -2.615 -1.480) 3.031 2.686 ( -3.295 -3.579 -1.746) 5.169 2.745 ( -0.378 -0.332 -0.999) 1.119 2.752 ( -0.882 -0.725 0.040) 1.142 2.852 ( 1.833 2.185 -2.469) 3.772 2.860 ( 2.505 1.397 1.387) 3.186 2.875 ( 1.551 -1.312 -0.831) 2.195 2.890 ( 0.317 -1.872 -1.325) 2.315 2.937 ( -1.018 2.616 -0.441) 2.841 2.978 ( -0.651 -1.022 0.433) 1.286 3.006 ( 0.674 3.777 -2.913) 4.817 3.034 ( 1.111 1.368 -1.425) 2.266 3.081 ( 0.892 0.225 0.004) 0.920 3.113 ( -0.014 -1.967 -0.302) 1.990 3.167 ( -0.563 3.853 2.845) 4.823 3.208 ( -2.211 0.512 -0.193) 2.278 3.240 ( -0.387 0.796 -1.834) 2.036 3.279 ( -1.386 -3.480 0.999) 3.877 3.438 ( -2.616 4.215 0.581) 4.995 3.473 ( 0.717 5.225 0.813) 5.336 3.508 ( -1.829 -3.095 0.851) 3.694 3.568 ( -0.429 -4.366 0.270) 4.395 3.746 ( 0.013 1.664 -0.967) 1.925 3.775 ( 0.431 -1.454 -0.255) 1.538 4.346 ( -3.459 5.277 -4.873) 7.972 4.396 ( -2.541 0.887 0.294) 2.707 4.516 ( 0.648 2.016 0.330) 2.143 4.547 ( -0.328 -1.016 -0.348) 1.124 4.658 ( -5.108 3.078 -1.337) 6.111 4.716 ( -3.136 -1.838 -1.555) 3.954 4.782 ( -1.113 3.988 -0.994) 4.258 4.854 ( 1.019 -3.404 -0.368) 3.572 4.897 ( -0.999 6.904 2.511) 7.414 4.997 ( -0.464 -2.147 0.570) 2.270 5.044 ( -3.133 4.196 -0.491) 5.259 5.069 ( -2.008 4.291 -1.436) 4.950 5.122 ( 0.176 -0.524 -0.509) 0.751 5.153 ( -1.587 -3.973 1.334) 4.482 5.214 ( 2.390 1.482 2.275) 3.617 5.268 ( 2.101 -2.393 1.754) 3.636 5.430 ( -3.827 -0.921 -1.981) 4.407 5.435 ( -4.914 -0.814 -3.426) 6.046 5.498 ( -0.957 -0.470 1.420) 1.776 5.516 ( -0.608 -1.402 3.503) 3.821 5.591 ( 1.132 1.286 0.817) 1.898 5.646 ( 0.783 -3.859 0.096) 3.939 5.819 ( -0.293 2.066 1.401) 2.514 5.862 ( -0.103 -1.887 0.491) 1.953 5.946 ( -1.032 3.845 -0.410) 4.002 5.983 ( -1.004 1.294 -0.703) 1.782 6.036 ( -1.316 6.158 -0.352) 6.307 6.094 ( -0.019 3.102 -1.540) 3.463 6.139 ( -0.923 0.795 -0.123) 1.225 6.154 ( 0.869 -2.777 0.348) 2.930 6.179 ( -2.218 -0.252 -1.956) 2.968 6.197 ( -0.396 -2.075 -0.523) 2.177 6.293 ( -0.200 1.625 2.411) 2.914 6.301 ( -0.313 1.270 2.108) 2.481 6.395 ( 0.398 6.905 -0.433) 6.930 6.465 ( 1.055 -0.168 -0.046) 1.069 6.510 ( 0.630 -1.723 0.166) 1.843 6.540 ( 0.635 -3.236 -0.250) 3.308 6.619 ( -0.531 3.646 -1.783) 4.093 6.657 ( -0.383 2.622 -3.041) 4.033 6.704 ( -0.353 0.551 0.138) 0.669 6.744 ( -1.482 -3.165 0.950) 3.621 6.801 ( 0.623 6.116 2.593) 6.673 6.820 ( -3.332 0.383 0.520) 3.394 6.862 ( -3.222 -5.013 2.990) 6.667 6.972 ( -0.379 -9.075 0.717) 9.111 7.056 ( -1.039 7.031 0.892) 7.163 7.181 ( -3.178 -5.300 -0.119) 6.181 7.284 ( -1.352 9.248 1.101) 9.411 7.427 ( -0.002 -0.667 -3.760) 3.819 7.516 ( 3.830 8.701 7.515) 12.118 7.655 ( 4.138 0.065 0.232) 4.145 7.779 ( 5.016 2.514 -1.250) 5.748 7.977 ( 5.790 -18.065 0.466) 18.976 8.111 ( 5.965 0.940 -4.348) 7.441 8.189 ( 6.706 -7.582 -2.919) 10.535 ======================= Grid point 91 (49/84) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.320 12.748 0.449) 12.824 1.760 ( -3.795 10.561 0.076) 11.223 1.837 ( 5.784 2.639 -3.436) 7.227 1.934 ( -3.178 -5.035 -2.420) 6.427 1.973 ( 2.668 5.147 3.149) 6.597 2.117 ( -1.424 -5.539 -0.638) 5.755 2.167 ( -3.050 1.210 -1.953) 3.819 2.186 ( -4.239 1.747 -1.653) 4.873 2.246 ( 2.106 -5.047 1.682) 5.721 2.306 ( -4.544 -8.763 -4.598) 10.889 2.420 ( -2.390 2.832 4.035) 5.478 2.461 ( -5.867 1.746 2.950) 6.795 2.484 ( 0.289 -2.726 0.573) 2.800 2.503 ( -2.358 -1.447 -0.510) 2.814 2.581 ( 0.963 2.540 1.414) 3.063 2.637 ( 4.558 -0.259 1.571) 4.828 2.653 ( 2.554 -0.824 1.925) 3.303 2.692 ( 5.401 -2.299 2.792) 6.500 2.774 ( 2.174 1.731 1.996) 3.422 2.781 ( 2.255 1.948 0.884) 3.109 2.831 ( -0.562 0.957 -1.041) 1.521 2.849 ( 0.135 0.222 -1.711) 1.730 2.865 ( -1.461 -0.042 -2.477) 2.876 2.881 ( 0.375 -2.885 -0.573) 2.965 2.956 ( 2.881 2.041 1.289) 3.759 2.963 ( 1.052 2.178 0.457) 2.462 3.029 ( 3.494 3.229 0.159) 4.760 3.054 ( 2.296 2.254 0.863) 3.331 3.076 ( -0.638 -0.236 -1.075) 1.272 3.110 ( -0.290 -0.736 0.368) 0.873 3.171 ( -3.693 -0.609 0.561) 3.785 3.178 ( -1.305 -2.209 -0.248) 2.578 3.240 ( 2.566 2.016 -0.974) 3.405 3.256 ( -1.004 0.721 -0.807) 1.476 3.395 ( -2.831 4.513 -3.843) 6.569 3.471 ( -2.309 -1.055 -1.139) 2.782 3.492 ( 0.653 0.366 1.462) 1.642 3.554 ( -0.909 -3.997 0.100) 4.100 3.753 ( 1.687 1.662 0.069) 2.370 3.777 ( 0.438 -0.788 -0.093) 0.907 4.280 ( 2.115 7.449 -3.338) 8.432 4.391 ( 1.129 -3.310 -1.760) 3.915 4.497 ( -1.400 1.522 -2.836) 3.510 4.508 ( -1.704 -0.013 -1.479) 2.256 4.602 ( 0.811 3.327 0.283) 3.436 4.678 ( 0.585 -4.155 -1.191) 4.361 4.781 ( 1.281 5.118 0.002) 5.276 4.848 ( -1.308 -0.207 -1.068) 1.701 4.901 ( -0.161 5.315 -0.378) 5.331 4.988 ( -1.154 0.757 -4.598) 4.801 5.019 ( -1.224 0.568 -0.277) 1.377 5.044 ( 0.641 1.907 1.112) 2.298 5.106 ( -0.447 1.655 0.356) 1.751 5.143 ( -2.023 -2.229 -0.959) 3.159 5.178 ( -2.302 -0.896 -2.212) 3.316 5.218 ( -1.744 -1.887 -0.920) 2.729 5.461 ( 4.383 0.346 2.999) 5.322 5.486 ( 3.510 -1.632 3.510) 5.225 5.522 ( -1.018 0.614 3.932) 4.108 5.562 ( 0.455 -3.139 3.706) 4.878 5.639 ( 1.885 0.883 4.056) 4.559 5.666 ( 1.645 -1.668 2.027) 3.098 5.851 ( -0.496 1.437 0.132) 1.526 5.855 ( -0.246 0.380 2.076) 2.125 5.953 ( 0.746 2.071 0.549) 2.268 5.982 ( 0.848 -0.125 -0.026) 0.857 6.024 ( 0.512 6.961 -0.320) 6.987 6.067 ( 0.165 3.224 -2.590) 4.139 6.113 ( -2.340 -0.596 -2.788) 3.688 6.135 ( 0.490 -3.269 -2.589) 4.199 6.146 ( 0.193 1.746 1.275) 2.170 6.235 ( 2.248 -5.391 3.079) 6.603 6.294 ( -1.821 5.138 -0.181) 5.454 6.327 ( -0.669 0.900 2.512) 2.751 6.419 ( 2.030 4.570 1.233) 5.150 6.487 ( 1.289 0.487 1.067) 1.743 6.531 ( -0.462 -0.396 -0.785) 0.993 6.552 ( 1.292 -1.476 2.359) 3.069 6.579 ( -0.039 2.372 -2.956) 3.791 6.616 ( -0.526 0.944 -1.059) 1.513 6.681 ( -0.057 2.729 -1.159) 2.966 6.721 ( -2.047 -1.295 -0.380) 2.452 6.792 ( -1.941 -0.790 0.538) 2.164 6.854 ( -1.183 -2.514 1.696) 3.255 6.876 ( 0.948 3.706 4.112) 5.616 6.966 ( -1.683 0.358 -1.658) 2.389 7.040 ( -0.956 -0.051 -0.544) 1.101 7.072 ( -3.872 1.861 -4.935) 6.543 7.305 ( 0.208 4.350 2.425) 4.985 7.398 ( -1.463 -4.809 0.149) 5.029 7.602 ( -0.525 2.241 1.365) 2.676 7.679 ( -1.281 -3.104 -1.189) 3.562 7.820 ( 0.829 3.268 2.940) 4.473 8.018 ( -1.123 -15.636 -0.106) 15.676 8.123 ( 4.452 5.564 -3.373) 7.884 8.245 ( 4.215 -7.082 -1.532) 8.383 ======================= Grid point 92 (50/84) ======================= q-point: (-0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -9.147 16.196 1.249) 18.643 1.723 ( -11.381 5.457 -3.073) 12.991 1.804 ( -2.876 6.162 0.872) 6.855 1.876 ( 5.673 3.209 -3.242) 7.279 2.033 ( -6.984 -2.851 0.245) 7.548 2.077 ( -6.087 -6.602 0.729) 9.009 2.086 ( 2.519 -0.890 4.906) 5.586 2.155 ( -4.614 -9.601 0.582) 10.668 2.245 ( -0.510 0.000 2.844) 2.890 2.269 ( -0.238 -2.262 2.150) 3.130 2.388 ( -4.850 1.436 -1.780) 5.362 2.401 ( -6.260 0.553 -0.773) 6.332 2.460 ( -1.871 1.637 3.382) 4.197 2.506 ( 0.967 -3.446 0.515) 3.615 2.609 ( -0.949 1.244 1.811) 2.394 2.635 ( -2.426 -0.398 -0.763) 2.574 2.720 ( -0.276 1.543 0.347) 1.605 2.739 ( -0.204 -0.466 0.087) 0.516 2.772 ( -2.366 3.203 -0.549) 4.020 2.785 ( 0.957 3.013 1.204) 3.383 2.809 ( 0.860 1.536 -1.589) 2.372 2.822 ( -1.995 0.579 -1.176) 2.387 2.850 ( 0.408 -1.339 -1.327) 1.929 2.862 ( -1.357 -3.974 -2.926) 5.119 2.970 ( -5.378 3.369 -0.157) 6.348 2.998 ( -1.833 0.813 1.473) 2.488 3.014 ( -3.282 1.379 -1.322) 3.797 3.036 ( -1.322 -0.555 0.081) 1.436 3.095 ( -2.823 2.626 -0.645) 3.909 3.121 ( 0.944 1.468 0.528) 1.824 3.172 ( -4.312 5.098 -5.714) 8.788 3.216 ( 6.741 1.082 0.745) 6.868 3.228 ( 6.666 1.775 3.055) 7.544 3.287 ( 6.697 -2.821 0.802) 7.311 3.361 ( 3.633 -2.800 0.480) 4.612 3.369 ( -3.636 -3.666 -4.617) 6.926 3.542 ( 1.351 1.209 1.859) 2.597 3.584 ( 3.607 -2.516 1.807) 4.755 3.773 ( 0.016 1.058 -0.560) 1.197 3.778 ( 0.602 0.486 -0.078) 0.777 4.300 ( 3.137 3.781 -2.512) 5.518 4.351 ( 2.964 0.113 -4.350) 5.265 4.471 ( 1.193 0.697 -1.126) 1.782 4.521 ( 4.571 -2.185 0.062) 5.066 4.651 ( 2.413 2.873 2.005) 4.254 4.692 ( 1.932 -1.593 -0.639) 2.584 4.772 ( -2.108 6.723 -2.835) 7.594 4.822 ( 2.733 3.249 -0.896) 4.339 4.898 ( -1.260 1.621 -0.388) 2.090 4.935 ( -1.203 2.271 -1.863) 3.174 4.966 ( 2.314 -1.730 -1.272) 3.157 5.029 ( 2.437 -4.804 -2.884) 6.110 5.124 ( 1.056 1.760 0.617) 2.143 5.156 ( 1.552 1.607 1.394) 2.633 5.182 ( 2.180 -0.533 1.582) 2.745 5.229 ( 0.937 -2.097 0.897) 2.466 5.523 ( -0.377 0.073 1.711) 1.753 5.544 ( 0.143 -2.241 3.123) 3.847 5.568 ( 1.556 1.195 1.900) 2.731 5.601 ( 0.907 -2.289 1.364) 2.814 5.747 ( 2.096 0.066 5.216) 5.622 5.749 ( 2.640 -0.299 4.774) 5.463 5.820 ( -0.297 2.760 -2.236) 3.564 5.854 ( -1.749 -0.970 -1.603) 2.563 5.970 ( 0.724 1.953 -0.417) 2.124 5.989 ( 1.433 0.284 -1.075) 1.814 6.030 ( 0.334 3.366 -0.665) 3.447 6.039 ( -0.549 1.182 -2.526) 2.843 6.051 ( -0.316 0.433 -1.328) 1.432 6.109 ( 1.052 -3.054 -1.872) 3.734 6.200 ( 1.977 4.512 3.602) 6.102 6.253 ( -1.652 4.535 -1.083) 4.947 6.321 ( 3.101 -3.724 2.609) 5.504 6.332 ( -1.299 -0.255 0.512) 1.420 6.450 ( 1.273 0.434 -2.089) 2.485 6.470 ( -1.697 -1.086 -3.367) 3.924 6.514 ( -2.972 5.741 1.051) 6.549 6.567 ( 1.959 2.784 3.273) 4.723 6.610 ( 0.370 1.323 1.672) 2.164 6.644 ( 1.945 1.149 1.489) 2.706 6.695 ( 1.126 1.945 1.106) 2.504 6.704 ( 0.749 0.857 2.456) 2.707 6.762 ( -1.751 3.634 -2.543) 4.768 6.829 ( 1.000 -0.258 -2.067) 2.310 6.900 ( -1.441 1.657 0.121) 2.199 6.966 ( 2.502 1.769 1.911) 3.611 6.995 ( -1.477 3.406 -1.049) 3.858 7.025 ( 1.280 -1.086 -1.516) 2.262 7.363 ( 0.364 -2.923 5.574) 6.304 7.375 ( -3.444 -5.846 2.123) 7.109 7.562 ( -3.997 -4.245 -2.068) 6.186 7.578 ( -5.964 -5.054 -4.953) 9.255 7.863 ( -4.385 0.281 5.611) 7.127 7.942 ( -7.525 -8.595 -1.372) 11.506 8.145 ( 2.376 5.950 -1.621) 6.609 8.247 ( 0.497 -4.865 -3.572) 6.056 ======================= Grid point 93 (51/84) ======================= q-point: (-0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -15.712 14.519 -1.345) 21.435 1.542 ( -6.446 17.277 2.057) 18.555 1.750 ( -11.381 -8.047 0.811) 13.962 1.871 ( -1.951 -5.095 -0.625) 5.491 2.007 ( -2.996 0.987 3.599) 4.786 2.037 ( 1.375 -2.175 4.912) 5.545 2.158 ( 1.173 0.291 3.339) 3.551 2.170 ( -0.232 1.375 0.197) 1.408 2.243 ( -3.552 -0.107 -0.207) 3.560 2.270 ( -2.903 -2.552 1.182) 4.042 2.298 ( -3.553 0.608 -0.361) 3.623 2.337 ( -4.851 -2.680 4.546) 7.168 2.488 ( -0.721 3.824 3.142) 5.001 2.526 ( -0.409 1.766 -2.142) 2.806 2.554 ( -2.815 -0.468 0.533) 2.903 2.595 ( -2.139 -2.419 -1.591) 3.599 2.667 ( -4.392 3.346 -3.100) 6.332 2.702 ( -1.722 -0.141 -3.819) 4.191 2.754 ( -3.326 0.973 -2.132) 4.069 2.776 ( -0.582 0.288 -2.333) 2.422 2.780 ( -0.698 0.333 -1.540) 1.724 2.795 ( -1.690 -0.381 -1.302) 2.167 2.823 ( 0.535 0.005 1.572) 1.660 2.834 ( -1.588 -0.824 -0.359) 1.825 2.887 ( -2.826 2.861 1.425) 4.267 2.931 ( -3.040 1.297 -1.946) 3.835 2.960 ( -4.925 -0.554 -1.744) 5.254 2.973 ( -2.890 -2.418 -0.435) 3.793 3.066 ( -0.661 3.946 -0.316) 4.014 3.119 ( 0.037 -0.314 -0.939) 0.990 3.137 ( 1.252 1.328 0.655) 1.939 3.214 ( -0.588 -4.858 -1.770) 5.203 3.311 ( 2.368 1.903 -0.370) 3.061 3.336 ( 1.562 -0.087 0.341) 1.601 3.419 ( 6.512 1.558 1.453) 6.852 3.471 ( 6.058 -3.386 2.169) 7.271 3.582 ( 2.273 4.664 0.720) 5.238 3.660 ( 3.628 -3.386 0.938) 5.050 3.754 ( -0.076 1.533 -0.932) 1.796 3.782 ( 0.230 -1.314 -0.371) 1.385 4.294 ( 3.530 4.410 -2.544) 6.195 4.374 ( 3.452 -3.612 -0.870) 5.072 4.520 ( 2.794 2.662 0.886) 3.960 4.562 ( 1.475 -1.332 -0.857) 2.165 4.665 ( -1.659 4.525 -2.106) 5.260 4.690 ( -0.309 0.527 -0.786) 0.995 4.721 ( 1.837 5.227 -0.873) 5.609 4.857 ( 4.748 -6.211 -1.871) 8.039 4.940 ( 6.408 3.876 1.984) 7.747 4.961 ( 4.479 2.198 2.165) 5.439 5.029 ( 3.773 2.669 1.773) 4.951 5.080 ( 3.679 -2.420 2.407) 5.018 5.158 ( 0.314 2.473 0.123) 2.496 5.168 ( 2.628 1.000 1.168) 3.044 5.243 ( 3.022 -0.693 -0.639) 3.166 5.248 ( 1.745 -1.772 0.725) 2.590 5.521 ( -1.303 0.294 0.007) 1.336 5.545 ( -1.172 -2.201 -0.574) 2.559 5.604 ( 1.414 2.089 0.040) 2.523 5.639 ( 1.382 -1.829 0.941) 2.477 5.722 ( -3.682 0.947 -3.316) 5.044 5.746 ( -4.614 -1.242 -4.019) 6.244 5.835 ( 1.629 2.938 1.176) 3.559 5.870 ( 2.459 -1.313 2.094) 3.487 5.960 ( -0.351 1.674 -0.203) 1.723 5.991 ( -0.927 0.910 -1.053) 1.672 6.019 ( 2.715 1.737 0.374) 3.245 6.028 ( 0.676 0.834 0.222) 1.096 6.046 ( -0.229 0.641 -1.214) 1.392 6.120 ( 1.668 -4.261 -0.074) 4.577 6.222 ( -0.681 3.830 -1.017) 4.021 6.273 ( 1.261 0.544 1.137) 1.783 6.309 ( 0.000 5.072 -0.366) 5.086 6.361 ( -0.456 2.081 -0.656) 2.229 6.412 ( -0.633 -2.882 -0.308) 2.967 6.427 ( -0.427 -1.413 -0.148) 1.483 6.513 ( -0.977 3.005 0.696) 3.236 6.569 ( -2.242 -1.382 -0.558) 2.692 6.594 ( -0.855 5.474 -1.596) 5.765 6.689 ( 1.894 -2.377 -0.551) 3.089 6.694 ( -0.378 5.290 -1.574) 5.532 6.770 ( 2.482 -0.401 0.850) 2.654 6.804 ( 3.100 7.811 4.981) 9.769 6.823 ( 0.707 7.330 1.049) 7.438 6.919 ( 1.016 -2.012 1.670) 2.806 6.984 ( 1.602 -0.319 1.334) 2.109 7.014 ( 2.778 -3.871 0.332) 4.776 7.091 ( 5.400 1.200 2.539) 6.086 7.353 ( -3.279 -3.021 3.349) 5.576 7.399 ( -7.250 -2.321 -2.840) 8.125 7.465 ( -0.292 -8.890 0.403) 8.904 7.487 ( -3.477 -6.532 3.357) 8.126 7.765 ( -11.042 2.241 -2.444) 11.529 7.858 ( -8.054 -6.272 3.836) 10.905 8.123 ( -1.108 2.141 -3.799) 4.500 8.171 ( -1.785 -2.801 -6.175) 7.012 ======================= Grid point 94 (52/84) ======================= q-point: (-0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -13.577 16.726 1.418) 21.590 1.485 ( -3.515 20.380 -1.027) 20.706 1.577 ( -10.520 -12.537 -1.466) 16.431 1.824 ( -3.354 -8.739 -0.189) 9.362 2.014 ( -3.189 3.301 0.449) 4.612 2.090 ( -1.458 -5.823 -3.796) 7.102 2.129 ( -1.898 5.250 -0.461) 5.601 2.155 ( -2.852 0.976 -0.047) 3.015 2.199 ( -1.068 3.899 -0.386) 4.061 2.250 ( -3.462 -0.467 -0.987) 3.630 2.288 ( -4.549 0.411 1.342) 4.760 2.344 ( 0.814 -3.026 4.648) 5.605 2.470 ( -1.287 0.705 -0.412) 1.524 2.495 ( -1.356 -0.459 -4.139) 4.379 2.530 ( 0.954 4.185 2.699) 5.071 2.574 ( 0.340 1.267 1.768) 2.202 2.585 ( -2.180 3.436 -1.707) 4.413 2.649 ( 1.567 -1.932 0.406) 2.520 2.694 ( -1.531 -0.512 -0.523) 1.697 2.717 ( -2.084 -1.654 0.296) 2.677 2.773 ( -1.131 1.317 0.220) 1.749 2.799 ( 1.239 0.536 -0.258) 1.375 2.822 ( -0.647 -2.394 0.205) 2.488 2.839 ( 1.147 -1.645 -0.378) 2.040 2.876 ( -1.308 1.042 -0.221) 1.687 2.898 ( -1.867 -0.252 0.495) 1.948 2.916 ( -0.896 1.577 1.676) 2.469 2.959 ( -0.677 -1.960 2.223) 3.040 3.069 ( -0.597 1.747 1.548) 2.410 3.095 ( -0.451 -0.640 0.385) 0.873 3.165 ( 0.694 1.472 -0.378) 1.671 3.206 ( 0.607 -2.636 -0.007) 2.705 3.327 ( 1.231 1.171 -1.291) 2.134 3.349 ( 0.525 -1.278 -0.256) 1.405 3.490 ( 2.402 2.761 0.566) 3.703 3.536 ( 2.004 -2.055 -0.009) 2.870 3.607 ( 1.316 5.575 -1.617) 5.952 3.694 ( 1.317 -2.706 -0.450) 3.043 3.756 ( 1.216 0.265 -0.713) 1.435 3.784 ( 0.521 -2.243 -0.427) 2.342 4.348 ( 5.700 5.406 0.627) 7.881 4.426 ( 3.023 -2.345 1.540) 4.124 4.508 ( -3.086 2.772 -0.358) 4.163 4.552 ( -0.364 -2.417 -0.494) 2.494 4.647 ( -1.206 1.112 0.432) 1.697 4.657 ( -1.649 -0.225 1.961) 2.572 4.813 ( 8.844 5.909 0.522) 10.649 4.920 ( 5.194 -3.191 -0.908) 6.163 4.994 ( 0.760 3.247 -0.597) 3.388 5.055 ( 2.622 2.383 1.704) 3.932 5.085 ( -2.518 0.061 -1.610) 2.989 5.118 ( 4.132 0.992 1.781) 4.608 5.195 ( 2.204 5.312 0.349) 5.762 5.223 ( -0.226 1.909 -1.443) 2.404 5.253 ( 2.468 -0.618 1.943) 3.201 5.305 ( 2.170 -3.414 -0.001) 4.045 5.506 ( 0.931 0.270 -0.792) 1.252 5.534 ( 2.734 -1.820 -0.560) 3.332 5.595 ( -1.825 0.669 -1.819) 2.662 5.611 ( -0.977 -0.690 -2.753) 3.001 5.649 ( -0.847 1.055 -1.932) 2.359 5.669 ( -0.431 -0.958 -1.440) 1.782 5.866 ( 0.958 1.487 0.692) 1.899 5.886 ( -0.461 -1.304 -0.440) 1.451 5.946 ( -0.855 3.822 0.593) 3.961 5.992 ( -1.079 1.773 1.516) 2.570 6.025 ( 0.196 3.756 -0.439) 3.787 6.066 ( 2.586 -0.641 -0.199) 2.671 6.079 ( 3.485 0.691 2.480) 4.332 6.145 ( 1.165 -3.557 1.649) 4.090 6.186 ( -2.019 -0.221 -1.913) 2.790 6.222 ( -2.204 -2.507 -1.978) 3.880 6.346 ( -0.461 4.276 0.661) 4.351 6.370 ( 2.859 6.104 1.267) 6.859 6.408 ( -1.335 3.493 -1.919) 4.204 6.411 ( -0.694 -1.076 -0.345) 1.326 6.504 ( -0.221 -2.403 0.123) 2.417 6.541 ( -0.528 -4.597 -0.705) 4.681 6.581 ( -0.029 5.349 0.533) 5.376 6.669 ( 1.105 8.672 -2.018) 8.972 6.727 ( 1.898 -3.813 1.171) 4.417 6.759 ( -1.057 6.028 0.104) 6.121 6.851 ( 2.445 -4.508 1.043) 5.234 6.875 ( -0.523 4.072 -0.315) 4.117 6.972 ( 1.998 -7.940 1.994) 8.427 7.019 ( -1.953 -4.909 -0.929) 5.364 7.056 ( 1.771 4.876 3.921) 6.503 7.154 ( -0.538 8.465 0.634) 8.505 7.319 ( -2.348 -2.200 0.370) 3.239 7.380 ( 1.294 -10.390 2.756) 10.827 7.422 ( -0.435 -1.100 1.493) 1.904 7.555 ( -7.650 4.144 4.786) 9.930 7.590 ( -2.865 -2.639 -1.656) 4.233 7.772 ( -8.915 -10.176 1.717) 13.638 8.025 ( -0.881 1.361 -7.668) 7.837 8.071 ( 0.725 -3.170 -6.887) 7.616 ======================= Grid point 119 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 6.919 0.000 22.569) 23.605 1.099 ( 4.346 0.000 22.253) 22.673 1.467 ( -5.346 0.000 -19.837) 20.545 1.529 ( -5.729 0.000 -16.471) 17.439 1.708 ( -2.595 0.000 28.169) 28.289 1.886 ( 3.293 0.000 3.338) 4.689 1.925 ( 4.291 0.000 2.875) 5.166 2.023 ( 3.042 0.000 0.675) 3.116 2.121 ( -1.843 0.000 -1.575) 2.424 2.123 ( -1.320 0.000 -5.276) 5.438 2.182 ( -0.064 0.000 -3.106) 3.106 2.218 ( 2.848 0.000 1.460) 3.200 2.258 ( -3.894 0.000 -9.686) 10.439 2.396 ( -5.423 0.000 -8.930) 10.448 2.525 ( -0.767 0.000 1.101) 1.342 2.553 ( -0.861 0.000 2.651) 2.787 2.598 ( 0.793 0.000 -4.195) 4.269 2.637 ( -0.621 0.000 -3.761) 3.812 2.734 ( -0.334 0.000 3.663) 3.678 2.752 ( -0.161 0.000 1.139) 1.150 2.758 ( 1.637 0.000 -1.345) 2.119 2.803 ( 2.570 0.000 0.423) 2.604 2.847 ( -0.230 0.000 0.975) 1.001 2.851 ( -0.957 0.000 1.889) 2.117 2.896 ( -1.902 0.000 1.640) 2.511 2.924 ( 1.225 0.000 0.035) 1.226 2.985 ( -0.659 0.000 1.287) 1.445 2.990 ( -0.555 0.000 -1.005) 1.148 3.017 ( -1.478 0.000 -1.879) 2.390 3.080 ( -1.253 0.000 -1.812) 2.203 3.122 ( 1.110 0.000 -5.536) 5.646 3.128 ( 0.281 0.000 -3.354) 3.366 3.238 ( -0.393 0.000 0.410) 0.567 3.284 ( 1.495 0.000 -3.704) 3.994 3.502 ( 2.488 0.000 3.106) 3.980 3.542 ( 0.055 0.000 -0.183) 0.191 3.709 ( 0.299 0.000 1.496) 1.525 3.716 ( 1.452 0.000 0.122) 1.457 3.858 ( 2.078 0.000 3.620) 4.174 3.886 ( -0.975 0.000 0.329) 1.029 4.328 ( 1.675 0.000 4.889) 5.168 4.392 ( -0.521 0.000 -0.466) 0.700 4.422 ( -0.127 0.000 1.397) 1.402 4.474 ( -4.247 0.000 -2.034) 4.708 4.475 ( 1.659 0.000 0.421) 1.712 4.496 ( 0.079 0.000 -3.321) 3.322 4.600 ( -4.089 0.000 0.855) 4.178 4.626 ( 3.468 0.000 -1.997) 4.002 4.952 ( 0.517 0.000 3.272) 3.312 4.975 ( 2.214 0.000 1.365) 2.601 5.080 ( -0.441 0.000 -0.449) 0.629 5.093 ( -2.443 0.000 -1.552) 2.894 5.159 ( 2.704 0.000 4.861) 5.562 5.258 ( -2.198 0.000 -3.224) 3.902 5.341 ( 4.944 0.000 6.740) 8.359 5.436 ( 2.822 0.000 -2.139) 3.541 5.449 ( 0.828 0.000 1.774) 1.958 5.510 ( -2.639 0.000 -2.997) 3.993 5.598 ( 5.096 0.000 6.758) 8.464 5.644 ( 1.898 0.000 3.309) 3.814 5.729 ( 4.215 0.000 -0.276) 4.224 5.749 ( -3.828 0.000 -1.398) 4.076 5.766 ( 0.441 0.000 -1.780) 1.834 5.768 ( -2.749 0.000 -1.913) 3.349 5.859 ( -2.847 0.000 0.162) 2.852 5.878 ( 4.786 0.000 3.343) 5.838 5.898 ( 7.287 0.000 1.178) 7.381 5.997 ( -5.996 0.000 -2.497) 6.495 6.005 ( 2.881 0.000 -0.143) 2.885 6.056 ( -5.387 0.000 -6.169) 8.190 6.143 ( 1.294 0.000 0.305) 1.329 6.193 ( -4.455 0.000 -2.948) 5.342 6.260 ( 1.399 0.000 1.321) 1.924 6.298 ( -1.694 0.000 -1.721) 2.415 6.301 ( 1.103 0.000 1.995) 2.279 6.353 ( -4.443 0.000 -2.421) 5.060 6.460 ( -1.139 0.000 2.398) 2.655 6.468 ( -0.050 0.000 3.010) 3.010 6.515 ( 2.100 0.000 -1.737) 2.725 6.525 ( -2.179 0.000 -2.345) 3.201 6.558 ( -1.239 0.000 -1.025) 1.608 6.608 ( 0.391 0.000 -4.458) 4.475 6.623 ( -0.710 0.000 4.412) 4.469 6.681 ( -0.062 0.000 -1.390) 1.391 6.720 ( 1.116 0.000 0.417) 1.191 6.795 ( -1.932 0.000 -4.436) 4.838 6.970 ( 16.390 0.000 0.096) 16.390 6.982 ( -9.486 0.000 -1.113) 9.552 7.502 ( 8.434 0.000 3.337) 9.070 7.528 ( -1.817 0.000 1.823) 2.574 7.681 ( 10.046 0.000 1.779) 10.203 7.721 ( -9.780 0.000 -1.423) 9.883 7.824 ( -4.434 0.000 6.559) 7.917 8.005 ( 5.177 0.000 -8.791) 10.203 8.342 ( 8.363 0.000 8.449) 11.888 8.502 ( -11.923 0.000 -6.067) 13.378 ======================= Grid point 120 (54/84) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -2.322 0.000 -21.564) 21.688 1.233 ( -3.647 0.000 -17.963) 18.329 1.396 ( 10.410 0.000 20.473) 22.968 1.440 ( 5.762 0.000 19.195) 20.041 1.871 ( -3.121 0.000 -4.572) 5.536 1.902 ( -1.757 0.000 -7.471) 7.675 2.015 ( 1.486 0.000 0.659) 1.626 2.026 ( 8.030 0.000 -11.728) 14.213 2.085 ( 2.692 0.000 8.212) 8.642 2.170 ( 6.556 0.000 1.819) 6.804 2.191 ( 4.912 0.000 2.141) 5.358 2.226 ( 4.793 0.000 5.658) 7.416 2.268 ( 3.931 0.000 -5.540) 6.793 2.403 ( 9.896 0.000 11.268) 14.997 2.552 ( -0.108 0.000 3.438) 3.440 2.561 ( 1.453 0.000 -3.365) 3.666 2.606 ( 2.520 0.000 -1.899) 3.155 2.636 ( 4.601 0.000 3.680) 5.891 2.746 ( -0.320 0.000 -2.678) 2.698 2.746 ( -0.549 0.000 -1.330) 1.438 2.773 ( -0.494 0.000 1.351) 1.439 2.812 ( 3.170 0.000 -2.543) 4.064 2.851 ( -0.917 0.000 -0.794) 1.213 2.860 ( 0.959 0.000 1.121) 1.475 2.910 ( 0.386 0.000 0.985) 1.058 2.929 ( 0.900 0.000 -0.237) 0.931 2.977 ( -1.277 0.000 1.397) 1.893 3.014 ( 2.189 0.000 0.707) 2.300 3.036 ( 1.180 0.000 -2.164) 2.465 3.048 ( 0.741 0.000 6.365) 6.408 3.105 ( 1.163 0.000 -1.473) 1.877 3.106 ( 0.180 0.000 0.459) 0.493 3.243 ( -1.063 0.000 1.223) 1.621 3.258 ( 0.896 0.000 -2.049) 2.236 3.490 ( -3.743 0.000 -3.669) 5.241 3.535 ( -1.133 0.000 -0.282) 1.168 3.695 ( -2.531 0.000 -0.988) 2.716 3.711 ( -1.229 0.000 -1.204) 1.721 3.835 ( -4.774 0.000 -2.039) 5.191 3.875 ( -2.467 0.000 0.214) 2.476 4.304 ( -7.535 0.000 -4.322) 8.686 4.368 ( -0.815 0.000 3.846) 3.931 4.421 ( -1.664 0.000 -0.157) 1.671 4.478 ( -0.210 0.000 -0.094) 0.231 4.486 ( 2.012 0.000 -1.259) 2.374 4.503 ( 3.161 0.000 3.184) 4.487 4.556 ( -3.789 0.000 2.216) 4.390 4.658 ( 3.055 0.000 -1.125) 3.255 4.935 ( -4.549 0.000 -1.281) 4.726 4.938 ( -5.791 0.000 -2.166) 6.183 5.055 ( -2.460 0.000 0.973) 2.646 5.106 ( 1.483 0.000 1.399) 2.039 5.178 ( -1.357 0.000 -3.758) 3.995 5.250 ( 1.725 0.000 3.791) 4.165 5.302 ( -9.738 0.000 -6.955) 11.966 5.358 ( -6.921 0.000 -1.218) 7.027 5.454 ( -1.471 0.000 -2.828) 3.188 5.505 ( 0.070 0.000 2.958) 2.959 5.569 ( -7.239 0.000 -5.488) 9.084 5.644 ( -6.338 0.000 -1.111) 6.435 5.648 ( -1.839 0.000 -3.369) 3.838 5.753 ( 0.345 0.000 1.673) 1.708 5.781 ( 0.622 0.000 -1.247) 1.393 5.790 ( 5.232 0.000 4.824) 7.117 5.818 ( -7.833 0.000 -6.468) 10.158 5.868 ( -0.322 0.000 0.015) 0.322 5.899 ( 1.704 0.000 -1.072) 2.013 5.979 ( -0.970 0.000 0.456) 1.072 6.062 ( 6.218 0.000 5.335) 8.193 6.073 ( 3.831 0.000 1.144) 3.998 6.129 ( -0.558 0.000 0.340) 0.654 6.211 ( 2.739 0.000 3.422) 4.383 6.252 ( -1.002 0.000 -1.187) 1.553 6.286 ( -0.631 0.000 1.777) 1.886 6.305 ( -0.844 0.000 -0.923) 1.250 6.386 ( 1.275 0.000 1.468) 1.945 6.480 ( -0.729 0.000 -1.731) 1.879 6.492 ( 5.431 0.000 5.919) 8.033 6.525 ( 3.447 0.000 -2.260) 4.122 6.539 ( 2.030 0.000 1.345) 2.435 6.567 ( 1.255 0.000 0.192) 1.270 6.590 ( 2.208 0.000 2.716) 3.500 6.662 ( 0.757 0.000 -1.032) 1.280 6.670 ( 0.286 0.000 1.311) 1.342 6.713 ( -1.383 0.000 -3.101) 3.396 6.765 ( -1.254 0.000 2.915) 3.173 6.858 ( -1.194 0.000 0.981) 1.545 7.120 ( 6.745 0.000 -5.146) 8.484 7.418 ( -8.725 0.000 -4.809) 9.962 7.523 ( -9.127 0.000 -4.886) 10.352 7.618 ( 2.066 0.000 0.234) 2.079 7.833 ( 0.938 0.000 2.969) 3.113 7.876 ( 5.394 0.000 5.875) 7.976 7.959 ( 4.164 0.000 -8.515) 9.479 8.343 ( 0.054 0.000 -4.808) 4.808 8.608 ( 12.372 0.000 7.742) 14.595 ======================= Grid point 121 (55/84) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 7.967 0.000 -13.202) 15.419 1.004 ( 3.595 0.000 -15.944) 16.344 1.675 ( -9.865 0.000 -9.250) 13.523 1.711 ( -8.677 0.000 -5.639) 10.348 1.741 ( 5.333 0.000 14.462) 15.414 1.804 ( 12.320 0.000 17.782) 21.632 2.048 ( 22.885 0.000 -19.725) 30.213 2.075 ( 3.732 0.000 2.991) 4.782 2.189 ( 2.002 0.000 2.496) 3.200 2.192 ( 2.267 0.000 -2.375) 3.283 2.330 ( 7.778 0.000 2.533) 8.180 2.361 ( 8.996 0.000 2.786) 9.417 2.418 ( 4.037 0.000 7.928) 8.897 2.542 ( 1.187 0.000 -1.405) 1.840 2.592 ( 0.418 0.000 3.451) 3.476 2.621 ( 3.560 0.000 1.138) 3.737 2.668 ( -1.968 0.000 -1.552) 2.506 2.691 ( 0.868 0.000 -4.407) 4.492 2.729 ( 5.335 0.000 6.726) 8.585 2.746 ( 1.786 0.000 -0.213) 1.799 2.777 ( 1.226 0.000 -1.048) 1.613 2.808 ( -2.157 0.000 -1.347) 2.543 2.882 ( 7.908 0.000 -1.834) 8.118 2.883 ( 2.334 0.000 -0.932) 2.513 2.927 ( 3.418 0.000 1.501) 3.733 2.976 ( 4.798 0.000 2.305) 5.322 3.011 ( 0.717 0.000 4.798) 4.851 3.021 ( 1.979 0.000 -0.703) 2.100 3.060 ( 0.601 0.000 -0.931) 1.108 3.126 ( 2.093 0.000 1.494) 2.571 3.153 ( 0.484 0.000 5.637) 5.658 3.158 ( 2.750 0.000 4.677) 5.426 3.239 ( -1.128 0.000 2.189) 2.463 3.266 ( 1.026 0.000 1.172) 1.557 3.352 ( -7.232 0.000 -5.055) 8.824 3.427 ( -8.205 0.000 -5.323) 9.781 3.636 ( -6.700 0.000 -3.785) 7.695 3.669 ( -1.066 0.000 1.727) 2.029 3.744 ( -1.921 0.000 -2.428) 3.096 3.808 ( -5.702 0.000 -1.758) 5.967 4.141 ( -7.349 0.000 -3.022) 7.946 4.365 ( -3.891 0.000 -0.857) 3.985 4.397 ( -0.222 0.000 -0.925) 0.952 4.467 ( -2.198 0.000 2.230) 3.131 4.490 ( -0.142 0.000 -2.576) 2.579 4.560 ( 0.069 0.000 1.773) 1.775 4.596 ( 2.178 0.000 6.094) 6.472 4.657 ( 0.326 0.000 -3.665) 3.680 4.792 ( -8.706 0.000 -3.227) 9.285 4.861 ( -2.391 0.000 -0.093) 2.392 5.026 ( -2.978 0.000 0.018) 2.978 5.077 ( -7.833 0.000 -4.904) 9.241 5.114 ( -1.277 0.000 -0.813) 1.514 5.141 ( 0.334 0.000 -2.329) 2.353 5.229 ( -5.534 0.000 -1.641) 5.773 5.277 ( -0.666 0.000 -0.446) 0.802 5.415 ( -2.461 0.000 0.524) 2.516 5.415 ( -0.041 0.000 -0.131) 0.137 5.507 ( -2.896 0.000 0.641) 2.966 5.614 ( 0.529 0.000 -0.778) 0.940 5.620 ( -0.901 0.000 -0.081) 0.905 5.680 ( -2.336 0.000 -3.782) 4.445 5.762 ( 0.664 0.000 -2.665) 2.746 5.775 ( -0.202 0.000 3.695) 3.700 5.875 ( 0.836 0.000 0.081) 0.840 5.878 ( 1.711 0.000 1.832) 2.507 5.914 ( 1.429 0.000 0.677) 1.581 5.957 ( -1.542 0.000 -0.885) 1.778 6.097 ( 0.078 0.000 -1.739) 1.740 6.152 ( 0.167 0.000 1.635) 1.643 6.169 ( 1.496 0.000 1.996) 2.495 6.237 ( 0.160 0.000 -0.414) 0.444 6.255 ( 0.301 0.000 0.050) 0.305 6.282 ( -0.870 0.000 -1.147) 1.440 6.300 ( -1.295 0.000 1.590) 2.051 6.329 ( -3.760 0.000 -3.919) 5.431 6.442 ( -0.306 0.000 -2.102) 2.124 6.480 ( 1.577 0.000 -5.406) 5.631 6.565 ( -1.571 0.000 -1.280) 2.026 6.572 ( -0.041 0.000 0.124) 0.130 6.599 ( -0.107 0.000 0.084) 0.136 6.639 ( 2.318 0.000 -2.844) 3.669 6.727 ( 7.061 0.000 3.088) 7.706 6.739 ( -0.396 0.000 1.607) 1.656 6.752 ( 0.450 0.000 1.718) 1.776 6.880 ( 10.951 0.000 16.686) 19.958 6.975 ( 6.108 0.000 1.542) 6.300 7.039 ( -4.850 0.000 -3.711) 6.107 7.242 ( -5.967 0.000 0.011) 5.967 7.345 ( -6.771 0.000 -0.534) 6.792 7.632 ( 2.895 0.000 -4.674) 5.498 7.876 ( -1.055 0.000 4.735) 4.851 7.919 ( 5.676 0.000 -8.065) 9.862 8.012 ( 5.480 0.000 2.189) 5.901 8.339 ( 6.325 0.000 -5.067) 8.104 8.809 ( 5.549 0.000 2.126) 5.942 ======================= Grid point 122 (56/84) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 12.940 0.000 -8.563) 15.517 1.064 ( 20.174 0.000 1.133) 20.206 1.423 ( -15.548 0.000 -2.016) 15.678 1.468 ( -13.843 0.000 -6.844) 15.442 1.975 ( 7.624 0.000 4.490) 8.848 2.068 ( 14.364 0.000 -14.730) 20.574 2.151 ( 4.968 0.000 6.408) 8.108 2.192 ( 6.032 0.000 10.967) 12.517 2.259 ( 7.440 0.000 1.935) 7.688 2.262 ( 6.469 0.000 3.615) 7.411 2.414 ( 2.003 0.000 -1.714) 2.636 2.453 ( 3.919 0.000 -3.204) 5.062 2.532 ( 0.314 0.000 7.693) 7.700 2.563 ( -3.292 0.000 -3.588) 4.869 2.609 ( 4.072 0.000 2.281) 4.667 2.641 ( -0.745 0.000 0.790) 1.086 2.650 ( -2.750 0.000 2.087) 3.452 2.694 ( 1.880 0.000 -1.388) 2.337 2.724 ( -1.416 0.000 -2.141) 2.567 2.751 ( -2.824 0.000 -0.122) 2.827 2.779 ( 0.582 0.000 -0.782) 0.974 2.786 ( 2.807 0.000 -5.626) 6.288 2.873 ( 2.674 0.000 -3.021) 4.034 2.910 ( 0.813 0.000 0.311) 0.870 2.979 ( -0.963 0.000 -1.483) 1.768 2.989 ( -0.548 0.000 -4.044) 4.081 3.053 ( -0.550 0.000 0.127) 0.565 3.103 ( 1.699 0.000 3.238) 3.656 3.120 ( 1.034 0.000 -1.746) 2.029 3.149 ( -0.108 0.000 0.357) 0.373 3.214 ( -3.584 0.000 -0.652) 3.643 3.216 ( 2.520 0.000 -0.311) 2.539 3.231 ( -1.029 0.000 3.381) 3.534 3.248 ( -1.230 0.000 3.564) 3.770 3.336 ( 4.434 0.000 6.139) 7.573 3.368 ( 5.149 0.000 5.721) 7.697 3.484 ( -5.564 0.000 -3.470) 6.558 3.673 ( -4.027 0.000 0.079) 4.028 3.693 ( -0.488 0.000 -3.815) 3.846 3.701 ( -3.484 0.000 -1.250) 3.701 4.083 ( -0.078 0.000 2.535) 2.536 4.306 ( -5.939 0.000 -4.812) 7.644 4.310 ( -2.795 0.000 -1.339) 3.099 4.454 ( 0.568 0.000 -0.901) 1.066 4.455 ( -3.258 0.000 -1.628) 3.642 4.571 ( -1.165 0.000 1.880) 2.212 4.607 ( 1.331 0.000 -2.067) 2.459 4.675 ( -5.469 0.000 0.449) 5.487 4.719 ( 3.282 0.000 5.413) 6.330 4.862 ( -0.088 0.000 -0.789) 0.794 4.927 ( -1.934 0.000 -1.679) 2.562 5.072 ( 2.233 0.000 3.457) 4.115 5.078 ( -0.201 0.000 -0.666) 0.696 5.131 ( 1.481 0.000 -0.281) 1.508 5.223 ( -2.888 0.000 -4.034) 4.961 5.256 ( 1.286 0.000 4.582) 4.759 5.457 ( 2.554 0.000 3.156) 4.060 5.469 ( 3.196 0.000 8.080) 8.689 5.514 ( -1.573 0.000 3.572) 3.903 5.614 ( 1.667 0.000 -0.074) 1.668 5.636 ( 2.520 0.000 1.003) 2.712 5.639 ( 0.442 0.000 2.179) 2.223 5.739 ( 1.145 0.000 -2.584) 2.826 5.827 ( -0.112 0.000 2.062) 2.065 5.874 ( -0.603 0.000 -0.848) 1.041 5.897 ( -0.969 0.000 -0.248) 1.000 5.931 ( -3.364 0.000 -0.887) 3.479 5.940 ( 0.659 0.000 0.623) 0.907 6.015 ( -2.187 0.000 -3.264) 3.929 6.154 ( -1.964 0.000 0.308) 1.988 6.181 ( -0.223 0.000 -1.650) 1.665 6.222 ( -3.072 0.000 -2.840) 4.184 6.233 ( -0.216 0.000 -1.459) 1.475 6.238 ( -1.718 0.000 -3.006) 3.463 6.271 ( 1.413 0.000 0.678) 1.567 6.280 ( -0.221 0.000 -1.426) 1.443 6.416 ( -0.201 0.000 -2.483) 2.491 6.464 ( 2.480 0.000 -2.044) 3.214 6.523 ( -1.057 0.000 -0.960) 1.428 6.598 ( 0.800 0.000 0.514) 0.951 6.600 ( 1.186 0.000 1.614) 2.003 6.635 ( -0.197 0.000 -3.473) 3.479 6.694 ( -3.074 0.000 -6.427) 7.124 6.704 ( -2.022 0.000 -0.715) 2.145 6.779 ( -1.098 0.000 0.988) 1.477 6.874 ( -5.124 0.000 -3.380) 6.139 6.892 ( -4.959 0.000 -5.473) 7.385 7.339 ( 7.987 0.000 17.107) 18.880 7.391 ( 7.556 0.000 11.579) 13.826 7.451 ( 9.528 0.000 16.051) 18.666 7.559 ( 3.162 0.000 -10.719) 11.175 7.899 ( 4.243 0.000 -6.592) 7.840 7.908 ( -0.519 0.000 0.960) 1.091 8.083 ( 0.290 0.000 3.242) 3.255 8.351 ( 5.366 0.000 -6.186) 8.189 8.777 ( -4.706 0.000 -8.385) 9.615 ======================= Grid point 123 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 16.582 0.000 -1.097) 16.618 1.164 ( -17.592 0.000 -5.879) 18.548 1.210 ( -19.314 0.000 6.939) 20.523 1.383 ( 21.597 0.000 -1.913) 21.682 2.026 ( 9.529 0.000 -4.186) 10.408 2.126 ( -13.027 0.000 -7.501) 15.032 2.195 ( 4.011 0.000 7.598) 8.592 2.246 ( -7.178 0.000 1.623) 7.359 2.382 ( 3.977 0.000 1.961) 4.434 2.405 ( 3.363 0.000 1.753) 3.793 2.416 ( -1.112 0.000 -0.334) 1.161 2.464 ( 4.625 0.000 -3.111) 5.574 2.522 ( 2.101 0.000 1.883) 2.822 2.537 ( -5.628 0.000 -1.219) 5.759 2.610 ( -0.404 0.000 -0.215) 0.458 2.619 ( -3.909 0.000 0.234) 3.916 2.644 ( -2.643 0.000 2.485) 3.628 2.673 ( -0.561 0.000 0.892) 1.054 2.708 ( -2.919 0.000 1.234) 3.169 2.728 ( 1.849 0.000 0.630) 1.953 2.772 ( 2.970 0.000 0.355) 2.991 2.804 ( 0.232 0.000 0.649) 0.690 2.852 ( -1.299 0.000 -3.106) 3.367 2.883 ( -3.023 0.000 -2.116) 3.690 2.960 ( 3.228 0.000 -1.428) 3.530 2.989 ( -6.070 0.000 -1.295) 6.206 3.005 ( 1.404 0.000 -0.183) 1.416 3.030 ( 0.172 0.000 -0.155) 0.232 3.124 ( -2.368 0.000 0.841) 2.513 3.142 ( -2.106 0.000 -0.197) 2.116 3.170 ( 3.509 0.000 1.336) 3.755 3.216 ( -0.642 0.000 -1.949) 2.052 3.304 ( 1.064 0.000 3.925) 4.066 3.344 ( -0.521 0.000 1.070) 1.190 3.413 ( 6.137 0.000 1.446) 6.305 3.472 ( 0.272 0.000 -1.649) 1.671 3.542 ( 7.369 0.000 5.531) 9.213 3.606 ( -0.387 0.000 -0.139) 0.411 3.644 ( -4.257 0.000 -2.976) 5.194 3.650 ( 1.299 0.000 -3.463) 3.699 4.152 ( 4.084 0.000 1.438) 4.330 4.171 ( -4.773 0.000 -2.486) 5.382 4.278 ( 1.331 0.000 0.809) 1.557 4.350 ( -3.622 0.000 -4.438) 5.729 4.507 ( 4.323 0.000 3.024) 5.276 4.564 ( -3.560 0.000 -1.474) 3.854 4.625 ( -4.993 0.000 1.994) 5.376 4.637 ( 4.619 0.000 0.960) 4.718 4.782 ( 0.456 0.000 0.814) 0.933 4.815 ( -0.496 0.000 -3.238) 3.275 4.976 ( 4.041 0.000 4.419) 5.988 5.097 ( -3.211 0.000 -3.522) 4.766 5.121 ( 1.718 0.000 -0.642) 1.834 5.151 ( 1.295 0.000 0.159) 1.305 5.186 ( 5.712 0.000 3.123) 6.510 5.243 ( -4.525 0.000 -1.868) 4.895 5.537 ( 2.320 0.000 3.078) 3.854 5.559 ( 3.954 0.000 4.101) 5.696 5.589 ( 0.245 0.000 -0.789) 0.826 5.690 ( -4.265 0.000 -5.899) 7.279 5.697 ( 0.883 0.000 7.487) 7.539 5.719 ( 1.256 0.000 1.515) 1.968 5.757 ( 0.060 0.000 -0.644) 0.646 5.762 ( 0.121 0.000 5.864) 5.865 5.835 ( 3.385 0.000 2.355) 4.124 5.865 ( -0.114 0.000 4.497) 4.498 5.897 ( -2.075 0.000 -1.272) 2.434 5.990 ( 2.547 0.000 3.014) 3.946 6.046 ( 3.062 0.000 2.451) 3.922 6.092 ( -5.025 0.000 -6.054) 7.868 6.105 ( -2.961 0.000 -2.055) 3.604 6.105 ( -1.015 0.000 -8.538) 8.598 6.216 ( 0.478 0.000 -0.852) 0.977 6.218 ( -0.463 0.000 -0.514) 0.692 6.281 ( 1.800 0.000 0.344) 1.833 6.304 ( -0.413 0.000 -0.168) 0.446 6.386 ( 2.681 0.000 -0.714) 2.775 6.448 ( -5.607 0.000 -4.920) 7.460 6.495 ( -0.096 0.000 -1.275) 1.279 6.498 ( -1.615 0.000 -0.597) 1.722 6.611 ( -1.800 0.000 1.192) 2.159 6.638 ( 2.685 0.000 0.634) 2.759 6.675 ( 2.360 0.000 -1.400) 2.744 6.684 ( -2.469 0.000 -0.929) 2.638 6.790 ( -0.901 0.000 2.743) 2.887 6.813 ( -0.445 0.000 -0.528) 0.690 6.877 ( 4.096 0.000 8.828) 9.732 7.268 ( -2.902 0.000 -20.624) 20.827 7.606 ( 2.940 0.000 8.880) 9.354 7.645 ( 4.232 0.000 9.300) 10.217 7.813 ( 2.279 0.000 -5.540) 5.991 7.862 ( -2.146 0.000 -5.490) 5.895 7.957 ( 11.182 0.000 21.452) 24.191 8.113 ( -4.703 0.000 5.791) 7.460 8.329 ( 3.213 0.000 -5.670) 6.517 8.491 ( -10.866 0.000 -17.281) 20.413 ======================= Grid point 124 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -19.707 0.000 -0.544) 19.715 1.023 ( -22.751 0.000 8.108) 24.153 1.368 ( 16.337 0.000 2.545) 16.534 1.555 ( 17.328 0.000 -10.992) 20.521 1.723 ( -29.612 0.000 0.914) 29.626 2.167 ( 2.463 0.000 6.544) 6.992 2.178 ( -5.670 0.000 -2.642) 6.255 2.300 ( -0.995 0.000 1.286) 1.626 2.333 ( -6.860 0.000 -4.095) 7.989 2.353 ( -8.447 0.000 -4.160) 9.416 2.375 ( -3.850 0.000 1.493) 4.129 2.391 ( -1.780 0.000 -0.280) 1.802 2.506 ( -0.740 0.000 -0.284) 0.793 2.598 ( -3.283 0.000 2.589) 4.181 2.602 ( -1.157 0.000 3.247) 3.447 2.614 ( 3.745 0.000 1.104) 3.904 2.642 ( -1.239 0.000 5.686) 5.820 2.670 ( -4.794 0.000 -0.019) 4.794 2.695 ( 0.521 0.000 -1.400) 1.494 2.722 ( -2.328 0.000 0.758) 2.448 2.765 ( 0.440 0.000 -2.340) 2.380 2.775 ( -4.296 0.000 -1.329) 4.497 2.875 ( -4.087 0.000 -1.163) 4.249 2.892 ( 0.845 0.000 2.827) 2.950 2.896 ( 6.343 0.000 3.238) 7.122 2.994 ( -0.326 0.000 -2.590) 2.610 3.049 ( 1.045 0.000 0.640) 1.226 3.055 ( 4.444 0.000 3.542) 5.683 3.143 ( 1.029 0.000 1.296) 1.655 3.153 ( 2.531 0.000 1.622) 3.006 3.187 ( 2.601 0.000 -1.189) 2.860 3.205 ( -1.271 0.000 -0.577) 1.396 3.322 ( -0.393 0.000 -2.753) 2.781 3.363 ( -1.999 0.000 -6.346) 6.653 3.391 ( 3.288 0.000 3.157) 4.559 3.465 ( -1.597 0.000 -2.905) 3.315 3.505 ( -5.846 0.000 -6.231) 8.544 3.618 ( -0.352 0.000 0.969) 1.031 3.647 ( 5.614 0.000 0.368) 5.626 3.696 ( 5.568 0.000 1.065) 5.668 4.131 ( -0.442 0.000 -0.830) 0.940 4.238 ( 6.982 0.000 1.052) 7.061 4.287 ( 1.324 0.000 -0.842) 1.569 4.371 ( 5.407 0.000 4.619) 7.111 4.482 ( -3.114 0.000 -2.765) 4.165 4.568 ( -4.293 0.000 0.799) 4.367 4.619 ( 4.786 0.000 1.118) 4.915 4.698 ( 3.592 0.000 -0.718) 3.663 4.786 ( -0.514 0.000 -1.346) 1.441 4.801 ( 1.067 0.000 2.024) 2.288 4.976 ( -2.360 0.000 -5.334) 5.833 5.094 ( 0.298 0.000 2.184) 2.204 5.128 ( 2.936 0.000 -0.295) 2.951 5.139 ( -1.679 0.000 -0.147) 1.686 5.148 ( -2.991 0.000 -3.348) 4.490 5.310 ( 6.709 0.000 0.569) 6.733 5.529 ( -2.877 0.000 -2.787) 4.006 5.533 ( -3.851 0.000 -2.923) 4.835 5.588 ( 0.891 0.000 1.227) 1.517 5.656 ( -3.623 0.000 -0.653) 3.682 5.718 ( -1.571 0.000 -1.086) 1.910 5.735 ( -1.708 0.000 -5.034) 5.316 5.789 ( 8.274 0.000 6.900) 10.773 5.802 ( -1.540 0.000 -4.288) 4.556 5.827 ( 1.875 0.000 1.189) 2.220 5.928 ( 3.379 0.000 0.220) 3.386 5.940 ( -1.854 0.000 -13.681) 13.806 5.977 ( -2.568 0.000 -2.647) 3.688 6.003 ( -0.689 0.000 5.818) 5.859 6.042 ( 0.185 0.000 4.158) 4.162 6.129 ( 6.532 0.000 5.036) 8.248 6.136 ( 4.173 0.000 2.479) 4.854 6.209 ( 0.060 0.000 0.082) 0.102 6.222 ( 0.592 0.000 0.151) 0.611 6.268 ( -1.107 0.000 -1.210) 1.640 6.305 ( -1.780 0.000 -1.896) 2.601 6.350 ( -0.059 0.000 2.142) 2.143 6.446 ( -2.105 0.000 0.196) 2.115 6.507 ( 5.614 0.000 5.016) 7.529 6.521 ( 2.395 0.000 0.742) 2.507 6.598 ( -2.454 0.000 1.323) 2.788 6.639 ( -2.052 0.000 -0.294) 2.073 6.658 ( 2.355 0.000 -3.093) 3.887 6.709 ( 2.000 0.000 0.331) 2.027 6.813 ( 1.405 0.000 2.338) 2.727 6.824 ( 1.834 0.000 -0.595) 1.928 6.922 ( -5.755 0.000 -17.483) 18.406 7.137 ( 3.553 0.000 17.724) 18.076 7.632 ( -6.044 0.000 -10.345) 11.981 7.632 ( -6.926 0.000 -3.975) 7.986 7.758 ( -3.611 0.000 -2.464) 4.372 7.812 ( -0.291 0.000 7.220) 7.226 7.972 ( -11.547 0.000 -15.295) 19.164 8.219 ( 2.780 0.000 -5.021) 5.740 8.219 ( -6.444 0.000 2.123) 6.785 8.467 ( 9.249 0.000 18.659) 20.825 ======================= Grid point 125 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -14.583 0.000 12.024) 18.900 0.756 ( -22.746 0.000 3.190) 22.969 1.467 ( -31.143 0.000 24.901) 39.874 1.611 ( 12.724 0.000 3.449) 13.183 1.644 ( 12.773 0.000 -6.234) 14.213 2.017 ( -6.329 0.000 -8.540) 10.629 2.087 ( -11.771 0.000 -7.121) 13.757 2.160 ( -7.967 0.000 -4.537) 9.168 2.207 ( -4.664 0.000 -1.934) 5.049 2.250 ( -0.740 0.000 -2.066) 2.195 2.348 ( -6.065 0.000 2.692) 6.636 2.377 ( -2.744 0.000 -2.387) 3.637 2.524 ( -5.982 0.000 -4.168) 7.291 2.560 ( -1.164 0.000 4.184) 4.343 2.571 ( -5.885 0.000 5.134) 7.810 2.606 ( -2.830 0.000 0.849) 2.955 2.656 ( 0.728 0.000 -0.102) 0.735 2.676 ( -2.483 0.000 6.401) 6.866 2.713 ( 0.385 0.000 -3.783) 3.803 2.723 ( 1.076 0.000 1.446) 1.802 2.746 ( -0.416 0.000 2.090) 2.131 2.781 ( 1.564 0.000 3.453) 3.791 2.839 ( -0.329 0.000 -0.454) 0.561 2.927 ( 0.076 0.000 -5.679) 5.680 2.939 ( -2.242 0.000 4.025) 4.607 2.993 ( -0.728 0.000 -1.816) 1.957 3.030 ( -3.185 0.000 -0.795) 3.283 3.069 ( -3.638 0.000 -3.265) 4.888 3.135 ( -0.306 0.000 1.999) 2.023 3.145 ( 1.459 0.000 -4.483) 4.715 3.226 ( 1.598 0.000 -1.582) 2.249 3.255 ( 2.038 0.000 -1.472) 2.514 3.284 ( 3.076 0.000 -0.966) 3.224 3.313 ( 2.774 0.000 -2.466) 3.712 3.359 ( -0.890 0.000 -6.094) 6.159 3.369 ( -0.996 0.000 -2.743) 2.919 3.507 ( 4.317 0.000 6.571) 7.863 3.664 ( 0.973 0.000 4.927) 5.022 3.731 ( 2.435 0.000 -3.046) 3.900 3.760 ( 6.317 0.000 2.040) 6.639 4.114 ( 1.990 0.000 -0.660) 2.096 4.343 ( 3.656 0.000 2.057) 4.195 4.349 ( 3.958 0.000 0.886) 4.056 4.439 ( -0.222 0.000 1.233) 1.253 4.491 ( 3.540 0.000 1.442) 3.822 4.558 ( 0.875 0.000 4.308) 4.396 4.638 ( 1.571 0.000 -5.064) 5.302 4.720 ( -3.256 0.000 -4.654) 5.680 4.740 ( 3.945 0.000 0.601) 3.991 4.859 ( 1.213 0.000 1.848) 2.211 4.948 ( 3.230 0.000 2.275) 3.951 5.077 ( 0.754 0.000 1.107) 1.339 5.079 ( -0.446 0.000 -1.880) 1.933 5.113 ( -0.817 0.000 -0.386) 0.903 5.236 ( 3.668 0.000 3.210) 4.875 5.291 ( -2.666 0.000 -8.910) 9.301 5.447 ( -2.709 0.000 -2.602) 3.756 5.482 ( -3.102 0.000 -4.527) 5.488 5.560 ( -1.559 0.000 -3.522) 3.851 5.605 ( -2.339 0.000 0.197) 2.348 5.611 ( -0.434 0.000 -4.006) 4.030 5.658 ( 0.874 0.000 -1.460) 1.702 5.707 ( -0.506 0.000 1.618) 1.695 5.843 ( -0.326 0.000 -1.390) 1.428 5.873 ( -0.224 0.000 -0.165) 0.278 5.906 ( 0.340 0.000 -0.393) 0.520 5.945 ( 0.860 0.000 -0.201) 0.883 5.949 ( -1.158 0.000 -1.616) 1.988 6.046 ( 5.385 0.000 2.535) 5.952 6.165 ( 2.549 0.000 6.131) 6.639 6.189 ( 1.630 0.000 -1.378) 2.135 6.214 ( -0.211 0.000 1.643) 1.656 6.226 ( 0.731 0.000 1.544) 1.709 6.245 ( 1.025 0.000 0.457) 1.123 6.256 ( -1.081 0.000 -0.107) 1.086 6.291 ( 3.583 0.000 2.443) 4.337 6.393 ( -0.224 0.000 2.198) 2.209 6.406 ( -3.031 0.000 1.486) 3.376 6.539 ( 0.313 0.000 -1.653) 1.682 6.584 ( -1.360 0.000 1.593) 2.094 6.603 ( -0.241 0.000 -1.606) 1.624 6.608 ( -1.450 0.000 -0.505) 1.536 6.678 ( 3.087 0.000 6.229) 6.952 6.727 ( 2.287 0.000 0.892) 2.455 6.798 ( 0.144 0.000 -0.985) 0.996 6.905 ( 3.445 0.000 4.192) 5.426 6.905 ( 4.366 0.000 4.573) 6.323 7.307 ( -13.013 0.000 3.176) 13.395 7.369 ( -6.389 0.000 -11.148) 12.849 7.386 ( -7.344 0.000 -10.045) 12.443 7.569 ( 0.343 0.000 -7.622) 7.630 7.797 ( -4.609 0.000 2.007) 5.027 7.862 ( -3.286 0.000 4.258) 5.378 8.148 ( 0.870 0.000 -7.846) 7.894 8.204 ( -6.609 0.000 6.754) 9.450 8.759 ( 3.922 0.000 8.222) 9.109 ======================= Grid point 126 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -5.042 0.000 19.127) 19.781 0.788 ( -2.197 0.000 21.802) 21.913 1.471 ( -21.269 0.000 32.114) 38.519 1.752 ( 6.007 0.000 -0.980) 6.087 1.793 ( 1.144 0.000 -4.443) 4.588 1.796 ( -7.066 0.000 -12.385) 14.258 1.806 ( 1.556 0.000 -5.026) 5.262 2.042 ( -3.473 0.000 -1.953) 3.984 2.154 ( -2.223 0.000 0.670) 2.322 2.202 ( -1.263 0.000 -3.506) 3.726 2.248 ( -7.233 0.000 -1.670) 7.423 2.270 ( -4.603 0.000 -4.371) 6.348 2.423 ( -4.239 0.000 -3.322) 5.386 2.504 ( -6.189 0.000 3.021) 6.887 2.557 ( -0.561 0.000 -4.262) 4.298 2.618 ( -3.589 0.000 0.409) 3.612 2.655 ( -2.507 0.000 -2.512) 3.549 2.675 ( 0.560 0.000 0.757) 0.942 2.720 ( 2.352 0.000 1.576) 2.831 2.722 ( -1.958 0.000 -0.514) 2.025 2.765 ( -2.935 0.000 0.882) 3.065 2.799 ( 0.061 0.000 -3.940) 3.941 2.838 ( -2.427 0.000 3.886) 4.581 2.839 ( -0.330 0.000 -2.780) 2.799 2.902 ( -3.221 0.000 1.597) 3.595 2.909 ( -0.386 0.000 -0.419) 0.570 3.005 ( -1.504 0.000 -0.224) 1.521 3.039 ( -0.827 0.000 -2.768) 2.889 3.070 ( -0.434 0.000 -4.737) 4.757 3.115 ( -1.646 0.000 -2.009) 2.597 3.188 ( 0.331 0.000 -3.988) 4.002 3.193 ( -1.317 0.000 -5.775) 5.923 3.273 ( -1.539 0.000 -4.638) 4.886 3.294 ( 3.134 0.000 -2.751) 4.170 3.397 ( 5.286 0.000 4.102) 6.691 3.471 ( 5.243 0.000 5.202) 7.386 3.656 ( 2.438 0.000 5.223) 5.764 3.707 ( 1.357 0.000 -2.882) 3.186 3.746 ( 3.172 0.000 5.405) 6.267 3.857 ( 3.377 0.000 1.640) 3.754 4.199 ( 5.648 0.000 4.510) 7.227 4.385 ( -0.000 0.000 1.711) 1.711 4.412 ( 3.712 0.000 0.602) 3.760 4.463 ( -1.468 0.000 0.878) 1.711 4.515 ( 0.715 0.000 -2.383) 2.488 4.575 ( -0.968 0.000 -4.093) 4.206 4.619 ( -1.322 0.000 2.431) 2.767 4.635 ( 0.680 0.000 -4.515) 4.566 4.858 ( 5.836 0.000 4.567) 7.411 4.897 ( 3.700 0.000 1.493) 3.990 5.061 ( 3.324 0.000 3.710) 4.982 5.101 ( -0.613 0.000 0.695) 0.927 5.116 ( 0.416 0.000 1.172) 1.243 5.152 ( 7.459 0.000 5.458) 9.243 5.280 ( 0.703 0.000 0.620) 0.937 5.325 ( 12.747 0.000 4.019) 13.365 5.414 ( 0.411 0.000 0.446) 0.606 5.448 ( 2.171 0.000 0.824) 2.322 5.559 ( 4.829 0.000 0.419) 4.847 5.596 ( -0.476 0.000 1.557) 1.628 5.634 ( 2.020 0.000 0.614) 2.112 5.693 ( 3.900 0.000 2.679) 4.731 5.734 ( 0.188 0.000 2.496) 2.504 5.809 ( 0.439 0.000 -2.430) 2.469 5.866 ( -3.156 0.000 -2.847) 4.250 5.869 ( 0.390 0.000 0.131) 0.411 5.902 ( -1.513 0.000 -1.623) 2.219 5.971 ( 1.618 0.000 0.787) 1.800 6.074 ( -2.503 0.000 -0.224) 2.513 6.166 ( -0.586 0.000 -2.301) 2.374 6.171 ( -1.699 0.000 -3.179) 3.605 6.238 ( 0.623 0.000 0.152) 0.641 6.247 ( -0.791 0.000 0.306) 0.848 6.278 ( 0.241 0.000 1.635) 1.653 6.323 ( -0.040 0.000 -0.319) 0.322 6.336 ( 3.860 0.000 6.340) 7.423 6.422 ( 0.528 0.000 2.936) 2.983 6.429 ( 0.711 0.000 3.037) 3.119 6.557 ( -5.449 0.000 0.691) 5.493 6.582 ( 2.839 0.000 1.064) 3.032 6.590 ( 1.738 0.000 -0.819) 1.921 6.610 ( 0.146 0.000 1.150) 1.159 6.663 ( -6.022 0.000 -3.422) 6.926 6.744 ( -3.416 0.000 -4.163) 5.385 6.778 ( 4.110 0.000 0.770) 4.181 6.859 ( -11.844 0.000 -12.930) 17.535 6.913 ( -4.690 0.000 -2.119) 5.146 7.047 ( -0.513 0.000 0.930) 1.062 7.327 ( 7.753 0.000 2.139) 8.043 7.408 ( 5.729 0.000 5.331) 7.826 7.597 ( 2.761 0.000 1.369) 3.082 7.792 ( -3.138 0.000 5.562) 6.386 7.833 ( -6.467 0.000 1.562) 6.653 8.062 ( 2.542 0.000 -8.772) 9.132 8.213 ( -3.186 0.000 6.772) 7.484 8.739 ( -9.029 0.000 -4.216) 9.965 ======================= Grid point 127 (61/84) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 7.658 4.128 19.844) 21.667 1.183 ( -2.583 5.725 22.074) 22.950 1.450 ( -6.846 -0.297 -18.343) 19.581 1.624 ( -0.425 6.217 -17.362) 18.446 1.816 ( -0.131 10.109 18.224) 20.841 1.923 ( 3.271 3.468 2.910) 5.585 1.988 ( 3.231 -3.031 0.201) 4.435 2.007 ( 1.111 5.579 0.708) 5.733 2.073 ( 0.111 -2.604 1.195) 2.867 2.124 ( 1.903 1.489 0.488) 2.465 2.194 ( -3.105 2.304 -3.200) 5.019 2.262 ( -3.791 1.628 -7.548) 8.602 2.291 ( -0.306 3.327 0.989) 3.485 2.396 ( -3.679 1.370 -4.099) 5.675 2.526 ( -1.107 0.153 -0.553) 1.247 2.571 ( 0.475 -0.461 -3.725) 3.783 2.600 ( 0.714 1.527 -1.780) 2.452 2.629 ( -0.823 0.335 -2.438) 2.594 2.715 ( -0.037 -0.803 1.715) 1.894 2.745 ( 1.659 0.284 -1.507) 2.259 2.789 ( -0.506 1.686 1.902) 2.591 2.808 ( 2.423 0.562 1.278) 2.797 2.850 ( 0.203 -0.057 1.054) 1.075 2.868 ( -0.624 0.314 0.699) 0.989 2.906 ( 1.314 1.159 1.039) 2.037 2.915 ( -2.519 -1.331 -0.673) 2.927 2.953 ( 0.034 0.545 1.969) 2.043 2.989 ( -0.149 -0.857 -2.230) 2.394 3.017 ( -1.154 -0.479 1.508) 1.958 3.061 ( 0.148 -0.169 -2.424) 2.435 3.114 ( -1.774 1.571 -0.147) 2.374 3.189 ( 1.007 2.839 -4.858) 5.716 3.249 ( -1.394 1.436 -0.523) 2.069 3.294 ( 1.846 0.825 -3.243) 3.822 3.516 ( 3.433 -0.324 3.216) 4.715 3.546 ( -0.405 0.257 0.435) 0.648 3.660 ( 1.663 -2.972 1.858) 3.879 3.704 ( -1.003 -2.132 -1.891) 3.021 3.824 ( 2.545 -2.952 3.437) 5.196 3.868 ( -1.747 -2.025 -0.863) 2.810 4.333 ( -0.077 1.307 3.080) 3.347 4.387 ( 2.133 -0.675 -1.625) 2.765 4.463 ( 0.955 4.791 3.114) 5.793 4.518 ( -0.124 6.078 0.767) 6.127 4.556 ( -3.517 5.977 -2.855) 7.500 4.569 ( -0.482 5.428 -1.415) 5.631 4.611 ( -0.852 2.129 2.215) 3.188 4.680 ( -0.116 4.749 -3.231) 5.745 4.967 ( -0.197 1.355 3.153) 3.437 4.986 ( 2.799 0.796 1.428) 3.242 5.090 ( -0.063 -0.269 -0.646) 0.703 5.098 ( -3.139 1.192 -0.340) 3.375 5.170 ( 3.128 0.822 3.174) 4.532 5.249 ( -2.524 -1.066 -3.017) 4.075 5.304 ( 4.267 -3.143 5.841) 7.887 5.382 ( 1.637 -3.277 -0.166) 3.667 5.477 ( 0.186 1.216 -0.965) 1.564 5.492 ( -2.628 -1.492 -2.894) 4.184 5.643 ( 2.659 0.030 2.728) 3.810 5.651 ( 1.938 2.853 2.907) 4.510 5.702 ( 3.136 -1.318 0.524) 3.442 5.741 ( -1.870 -1.400 -1.739) 2.912 5.778 ( 2.681 2.920 3.467) 5.267 5.843 ( -1.305 4.104 -1.340) 4.511 5.873 ( 2.068 2.139 1.959) 3.562 5.892 ( 3.023 2.141 1.940) 4.182 5.957 ( 1.248 2.885 1.021) 3.305 6.008 ( -5.629 1.310 -2.007) 6.117 6.039 ( 0.984 4.160 -2.832) 5.128 6.078 ( -1.367 0.685 -5.433) 5.644 6.169 ( -2.031 3.719 0.052) 4.238 6.210 ( -2.219 1.323 -1.479) 2.977 6.271 ( 0.831 0.695 1.476) 1.831 6.295 ( -0.463 0.232 -0.364) 0.633 6.335 ( 1.052 2.726 -0.477) 2.960 6.351 ( -3.604 0.483 -1.109) 3.802 6.474 ( 0.714 2.258 2.713) 3.601 6.478 ( -0.955 0.660 -0.019) 1.161 6.514 ( -0.433 -0.250 -2.422) 2.473 6.555 ( -1.942 2.860 -1.316) 3.699 6.589 ( -1.407 4.321 0.338) 4.557 6.616 ( 1.224 0.518 1.792) 2.231 6.655 ( -1.874 1.054 -2.368) 3.199 6.669 ( -0.744 3.081 -1.421) 3.473 6.752 ( 1.614 2.127 -0.934) 2.829 6.810 ( -3.445 1.630 -4.246) 5.706 7.060 ( -7.762 7.996 0.068) 11.144 7.085 ( 15.164 11.558 -2.656) 19.251 7.449 ( 8.127 -5.006 4.381) 10.503 7.490 ( -1.664 -4.167 1.336) 4.681 7.644 ( 0.145 -5.989 1.199) 6.110 7.667 ( 1.526 -4.129 -0.269) 4.410 7.823 ( -5.855 -0.483 4.735) 7.545 7.970 ( 5.199 -3.353 -7.591) 9.792 8.231 ( 7.095 -11.116 6.754) 14.816 8.352 ( -10.203 -14.447 -4.040) 18.142 ======================= Grid point 128 (62/84) ======================= q-point: ( 0.12 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -1.539 3.614 -18.447) 18.861 1.385 ( 5.472 1.530 15.028) 16.067 1.421 ( 4.541 10.270 -13.267) 17.381 1.501 ( 8.982 5.200 19.114) 21.750 1.895 ( -5.153 3.316 -4.585) 7.653 1.961 ( 4.455 2.330 -3.642) 6.208 1.992 ( 3.951 -2.409 -0.428) 4.647 2.054 ( 3.579 4.014 -4.526) 7.029 2.105 ( 1.406 -4.668 -2.560) 5.506 2.119 ( 0.214 4.292 -1.152) 4.449 2.233 ( 6.298 1.075 5.027) 8.130 2.254 ( 6.621 6.680 6.838) 11.628 2.338 ( 3.211 4.502 -3.006) 6.295 2.419 ( 8.582 1.849 8.066) 11.922 2.531 ( 0.204 -2.874 3.047) 4.194 2.564 ( 2.258 -0.638 -1.566) 2.821 2.589 ( 0.821 0.691 -1.103) 1.539 2.649 ( 4.259 1.691 1.627) 4.863 2.712 ( -1.573 -1.643 -0.317) 2.297 2.741 ( 0.904 -0.117 -2.122) 2.309 2.772 ( -2.220 0.122 -0.479) 2.274 2.847 ( 3.291 1.839 -0.944) 3.886 2.858 ( 0.121 0.545 -1.476) 1.578 2.872 ( -0.844 -1.781 -0.358) 2.003 2.888 ( 0.845 0.328 1.015) 1.361 2.934 ( 0.399 -0.350 0.750) 0.919 2.961 ( -0.299 0.295 0.958) 1.046 3.005 ( 3.255 1.638 -0.489) 3.676 3.031 ( -0.649 -0.359 1.235) 1.440 3.043 ( 0.722 -1.159 -0.119) 1.371 3.122 ( -0.913 2.507 3.357) 4.288 3.164 ( 2.621 3.529 -0.764) 4.461 3.244 ( -1.624 0.291 1.849) 2.478 3.271 ( 0.601 1.292 -2.062) 2.506 3.492 ( -4.678 -0.808 -3.736) 6.041 3.551 ( -0.724 0.855 -0.888) 1.430 3.639 ( -3.288 -3.258 -1.492) 4.863 3.704 ( 0.161 -2.331 0.669) 2.431 3.799 ( -4.341 -2.791 -1.988) 5.530 3.865 ( -1.149 -1.515 0.715) 2.031 4.329 ( -3.478 0.194 0.167) 3.487 4.353 ( -3.120 1.789 -2.861) 4.595 4.456 ( -2.835 5.803 -1.486) 6.627 4.512 ( -0.534 2.636 3.306) 4.262 4.531 ( 0.192 3.250 0.084) 3.257 4.583 ( -1.077 5.851 2.062) 6.296 4.625 ( 2.385 6.940 0.828) 7.385 4.691 ( 2.900 3.525 0.237) 4.571 4.937 ( -4.664 0.457 -0.657) 4.732 4.964 ( -5.753 2.135 -2.798) 6.744 5.063 ( -0.997 -0.102 2.047) 2.279 5.115 ( -0.120 1.181 0.547) 1.307 5.174 ( -1.059 -0.350 -2.559) 2.792 5.252 ( 1.562 -0.257 2.442) 2.910 5.272 ( -7.486 -2.509 -5.563) 9.658 5.337 ( -4.884 -2.007 -0.889) 5.355 5.467 ( -1.108 1.088 -0.467) 1.622 5.493 ( 1.111 -1.144 2.811) 3.232 5.613 ( -5.695 0.713 -2.294) 6.181 5.643 ( -3.401 0.775 -4.380) 5.600 5.654 ( -3.332 1.778 -0.972) 3.900 5.749 ( 0.813 -0.496 1.443) 1.729 5.774 ( -3.127 0.843 -4.828) 5.814 5.845 ( -1.636 2.498 -0.988) 3.145 5.861 ( 0.038 3.037 0.474) 3.074 5.881 ( -1.743 1.966 -2.325) 3.508 5.942 ( -0.475 4.984 0.886) 5.085 5.994 ( -1.882 2.109 -0.493) 2.870 6.052 ( 2.610 -0.695 5.013) 5.695 6.077 ( 4.141 0.555 2.070) 4.663 6.174 ( 0.466 4.342 1.094) 4.502 6.221 ( 1.467 0.616 2.201) 2.716 6.273 ( -0.547 0.134 -0.709) 0.906 6.295 ( -0.177 0.938 -0.033) 0.955 6.315 ( -1.132 2.173 0.419) 2.485 6.397 ( 3.093 0.514 0.306) 3.150 6.489 ( -0.381 0.849 0.450) 1.034 6.499 ( 1.721 1.809 -0.280) 2.512 6.516 ( 4.527 0.288 1.151) 4.680 6.571 ( 2.072 3.918 2.641) 5.160 6.602 ( -1.351 -0.317 -0.087) 1.390 6.614 ( 1.211 3.632 0.016) 3.829 6.638 ( 3.209 2.654 4.960) 6.476 6.689 ( 0.461 2.421 -1.539) 2.906 6.735 ( -0.340 1.108 -0.167) 1.171 6.830 ( 5.141 3.293 4.326) 7.483 6.920 ( -7.078 8.451 -0.819) 11.054 7.197 ( 4.836 7.762 -5.938) 10.904 7.379 ( -8.172 -3.783 -5.544) 10.575 7.503 ( -5.769 -3.129 -3.768) 7.568 7.575 ( 0.194 -4.488 1.030) 4.609 7.772 ( 7.432 -7.790 -2.729) 11.107 7.814 ( -5.546 -3.974 7.039) 9.802 7.961 ( 6.397 -0.711 -4.629) 7.928 8.249 ( 2.770 -9.038 -3.848) 10.206 8.470 ( 12.637 -13.893 6.030) 19.725 ======================= Grid point 129 (63/84) ======================= q-point: ( 0.25 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 9.649 9.528 -9.602) 16.616 1.242 ( 3.897 18.483 -15.111) 24.190 1.697 ( -4.969 1.645 2.236) 5.691 1.731 ( 0.115 0.996 9.684) 9.736 1.849 ( -4.845 11.533 -7.463) 14.567 1.872 ( 11.395 6.709 12.221) 18.006 2.034 ( 16.967 0.562 -13.234) 21.525 2.095 ( 5.463 0.693 1.658) 5.751 2.153 ( 5.362 -1.465 2.809) 6.228 2.224 ( 5.086 -0.942 2.265) 5.647 2.321 ( 2.819 2.883 0.033) 4.032 2.416 ( 9.208 1.907 -0.642) 9.426 2.421 ( 4.508 1.012 7.695) 8.975 2.537 ( 2.131 -0.554 -1.465) 2.644 2.575 ( 0.391 -3.852 2.096) 4.403 2.605 ( 2.406 0.440 1.080) 2.674 2.627 ( 1.975 -3.832 -1.234) 4.484 2.693 ( 0.784 1.778 -0.087) 1.945 2.720 ( 1.770 -1.193 -0.313) 2.157 2.751 ( 0.482 -0.130 2.158) 2.215 2.755 ( 0.433 -0.288 -0.491) 0.715 2.835 ( 1.708 0.691 -2.102) 2.795 2.875 ( 2.375 -1.901 1.963) 3.620 2.892 ( 4.239 0.873 -0.939) 4.429 2.942 ( 4.637 1.728 1.839) 5.280 2.956 ( 0.285 -3.138 2.634) 4.107 2.964 ( 0.936 -1.744 -2.164) 2.933 3.028 ( 1.124 0.699 1.941) 2.349 3.045 ( 1.735 -1.067 -1.826) 2.735 3.083 ( 1.828 -0.833 2.438) 3.159 3.153 ( 0.549 1.314 2.965) 3.290 3.201 ( 0.204 1.443 0.699) 1.617 3.237 ( -2.086 -0.559 -0.499) 2.217 3.285 ( 0.169 1.825 2.941) 3.465 3.356 ( -4.975 -0.772 -2.077) 5.446 3.471 ( -6.019 2.997 -3.368) 7.520 3.561 ( -5.974 -3.006 -2.464) 7.127 3.692 ( -1.582 -0.776 0.946) 1.999 3.733 ( -1.731 -0.979 -2.211) 2.974 3.813 ( -4.451 0.989 -1.392) 4.768 4.203 ( -6.381 3.106 -4.222) 8.258 4.328 ( -2.470 0.574 2.117) 3.303 4.408 ( -2.195 3.176 -0.793) 3.941 4.521 ( 0.138 2.755 -1.108) 2.973 4.554 ( -1.303 4.612 1.509) 5.025 4.601 ( -0.009 1.831 1.535) 2.389 4.657 ( 0.187 7.458 -0.333) 7.467 4.711 ( 0.279 5.042 0.544) 5.079 4.821 ( -7.687 3.044 -2.774) 8.721 4.888 ( -1.314 2.803 0.769) 3.190 5.032 ( -6.405 -0.286 -3.313) 7.217 5.086 ( -4.117 0.241 -0.785) 4.199 5.104 ( -0.263 -0.755 -0.888) 1.195 5.156 ( -1.010 1.275 -1.694) 2.348 5.249 ( -4.575 1.517 -0.224) 4.826 5.288 ( -0.725 0.813 -0.609) 1.247 5.431 ( -1.898 3.285 1.308) 4.013 5.475 ( -1.614 2.587 0.845) 3.164 5.535 ( -2.850 2.824 -1.189) 4.185 5.600 ( 0.728 -1.349 -0.147) 1.540 5.619 ( -0.754 -0.659 -0.632) 1.184 5.675 ( -1.869 1.185 -1.950) 2.949 5.756 ( -0.712 -0.366 1.121) 1.378 5.825 ( -0.173 2.287 0.059) 2.294 5.861 ( 0.316 -0.139 0.061) 0.351 5.898 ( 1.723 1.291 1.258) 2.493 5.948 ( -0.489 1.787 -0.371) 1.889 5.961 ( -1.423 2.878 0.865) 3.325 6.111 ( -0.691 -0.660 1.641) 1.899 6.158 ( 2.047 1.074 2.441) 3.362 6.184 ( -0.988 3.580 0.000) 3.714 6.242 ( -0.403 -1.795 0.182) 1.848 6.251 ( -0.827 -0.144 -0.947) 1.266 6.292 ( -0.850 0.887 -0.632) 1.382 6.309 ( -0.723 1.174 0.444) 1.448 6.349 ( -2.354 3.868 -4.231) 6.198 6.457 ( 0.155 -0.078 -2.706) 2.711 6.500 ( 0.539 2.398 -2.408) 3.441 6.551 ( 0.498 1.763 -0.978) 2.077 6.588 ( -1.048 0.440 0.045) 1.138 6.628 ( 1.352 2.432 1.178) 3.022 6.673 ( 0.506 2.264 -0.092) 2.322 6.716 ( 0.055 -0.722 0.749) 1.042 6.770 ( 1.658 3.080 1.497) 3.805 6.778 ( 5.351 4.935 3.369) 8.021 6.951 ( 7.078 6.450 12.050) 15.391 7.005 ( 6.736 3.457 2.203) 7.885 7.088 ( -6.101 4.692 -3.469) 8.442 7.190 ( -5.776 -4.501 -2.892) 7.873 7.361 ( -5.659 0.152 0.427) 5.677 7.600 ( 3.307 -2.966 -3.269) 5.515 7.798 ( 3.974 -7.507 -2.701) 8.914 7.857 ( 0.239 -5.811 4.057) 7.092 8.015 ( 6.199 -0.422 -2.855) 6.838 8.279 ( 7.335 -5.949 -4.172) 10.325 8.664 ( 7.000 -14.591 1.008) 16.214 ======================= Grid point 130 (64/84) ======================= q-point: ( 0.38 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 17.765 9.107 0.686) 19.975 1.177 ( 9.838 18.846 -8.489) 22.891 1.486 ( -14.874 6.770 -0.951) 16.369 1.617 ( -12.241 14.014 -7.261) 19.974 1.988 ( 5.394 -0.020 11.351) 12.568 2.070 ( 15.143 1.530 -13.174) 20.130 2.161 ( 4.524 0.792 4.398) 6.359 2.220 ( 9.920 0.922 4.489) 10.927 2.261 ( 0.458 4.019 2.556) 4.785 2.312 ( 8.175 2.638 5.414) 10.154 2.383 ( 3.096 -2.514 -0.315) 4.001 2.469 ( 3.121 1.308 -2.644) 4.295 2.540 ( -1.970 1.098 -0.113) 2.258 2.563 ( -0.738 -1.190 3.340) 3.621 2.582 ( 3.423 -2.493 -0.046) 4.235 2.616 ( 1.658 -1.370 0.882) 2.325 2.662 ( -1.079 0.937 -0.443) 1.496 2.668 ( -1.010 -3.326 -2.232) 4.131 2.730 ( 3.601 0.068 0.005) 3.601 2.743 ( 1.127 0.700 -0.566) 1.443 2.777 ( -0.469 2.153 -0.053) 2.204 2.848 ( -0.919 2.734 -3.724) 4.711 2.861 ( 2.476 0.133 -1.173) 2.743 2.915 ( -2.472 -1.853 -0.581) 3.143 2.951 ( 1.976 -2.318 -1.667) 3.472 2.996 ( -0.069 -0.598 -1.398) 1.523 3.019 ( 1.883 -5.296 2.489) 6.147 3.042 ( 0.827 -5.591 2.578) 6.212 3.084 ( -0.844 0.988 -0.377) 1.353 3.127 ( 1.713 -1.403 -0.958) 2.413 3.159 ( 0.738 -0.968 -0.393) 1.280 3.199 ( -0.907 -1.047 0.977) 1.695 3.240 ( 0.058 2.445 -0.195) 2.454 3.276 ( -1.008 -4.698 1.462) 5.022 3.325 ( -5.349 0.927 0.769) 5.483 3.420 ( -0.042 0.901 2.946) 3.081 3.468 ( 1.120 3.374 1.519) 3.866 3.668 ( -1.879 0.231 -2.471) 3.113 3.685 ( -1.464 -1.030 -0.039) 1.791 3.754 ( -2.413 3.439 -0.861) 4.288 4.103 ( -2.273 0.306 -1.347) 2.659 4.306 ( -2.458 5.370 1.140) 6.015 4.401 ( -2.640 4.246 -2.070) 5.411 4.441 ( -2.855 0.549 -1.365) 3.212 4.499 ( -1.901 3.587 -2.399) 4.715 4.632 ( 0.397 2.900 -1.840) 3.457 4.648 ( -0.590 4.384 1.591) 4.701 4.717 ( -4.437 5.069 -0.031) 6.737 4.753 ( 1.165 3.977 3.462) 5.400 4.884 ( -1.562 0.427 -3.544) 3.897 4.923 ( -0.701 1.475 0.786) 1.812 5.063 ( -1.155 -1.072 -0.320) 1.608 5.101 ( 1.254 0.792 2.271) 2.712 5.133 ( 0.062 0.428 -0.031) 0.434 5.228 ( -2.303 0.493 -3.014) 3.825 5.247 ( -0.150 -0.223 1.359) 1.385 5.490 ( 1.381 1.627 5.287) 5.702 5.508 ( 1.567 3.270 3.160) 4.810 5.534 ( 0.541 0.755 2.726) 2.880 5.614 ( 3.080 1.209 2.784) 4.324 5.646 ( 2.725 0.183 2.336) 3.593 5.651 ( -0.712 2.416 0.786) 2.639 5.762 ( -0.014 -1.167 0.041) 1.168 5.847 ( 0.200 3.458 2.231) 4.120 5.857 ( -0.855 -0.176 -0.438) 0.977 5.919 ( -0.938 0.723 -0.528) 1.297 5.939 ( 1.675 0.446 1.405) 2.231 5.975 ( -2.184 4.629 0.673) 5.163 6.044 ( -4.752 0.359 -3.401) 5.855 6.154 ( -3.214 2.001 -0.539) 3.824 6.181 ( -1.363 -0.542 -2.272) 2.704 6.203 ( -1.711 -1.809 -3.086) 3.965 6.225 ( -0.376 0.933 0.313) 1.053 6.285 ( 0.886 2.636 1.302) 3.071 6.291 ( -0.039 4.435 -0.872) 4.520 6.319 ( 0.906 3.731 -0.579) 3.883 6.432 ( 0.491 1.058 -3.180) 3.387 6.477 ( 1.513 1.305 -1.940) 2.785 6.559 ( -2.043 1.311 -1.029) 2.637 6.566 ( 0.485 1.473 2.320) 2.791 6.642 ( 0.586 2.303 -1.184) 2.655 6.681 ( -1.469 -0.017 -1.274) 1.944 6.695 ( 0.533 3.138 -0.157) 3.187 6.735 ( -5.041 4.036 -6.909) 9.457 6.777 ( -0.056 1.670 0.249) 1.690 6.900 ( -6.036 1.995 -5.014) 8.096 6.934 ( -4.355 4.106 -3.504) 6.935 7.300 ( 5.067 -4.596 10.841) 12.819 7.324 ( 6.340 -5.566 9.715) 12.867 7.477 ( 8.899 1.592 13.654) 16.375 7.593 ( 6.235 3.592 -2.264) 7.544 7.826 ( 3.771 -6.478 -2.156) 7.799 7.888 ( 0.453 -3.059 -1.929) 3.644 8.045 ( 0.603 -3.810 1.394) 4.102 8.313 ( 5.808 -3.801 -5.377) 8.780 8.653 ( -2.616 -12.468 -7.851) 14.964 ======================= Grid point 131 (65/84) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -1.087 12.020 0.962) 12.107 1.293 ( -2.802 11.110 1.731) 11.588 1.338 ( -14.151 15.431 -4.041) 21.323 1.433 ( 17.937 5.539 -1.727) 18.852 2.083 ( 6.467 5.835 -2.102) 8.960 2.169 ( -8.907 3.932 -5.987) 11.430 2.195 ( 1.780 -0.506 8.563) 8.761 2.288 ( 0.904 -1.099 3.128) 3.436 2.331 ( -0.811 -3.392 -0.617) 3.541 2.346 ( -0.853 1.217 -2.406) 2.828 2.421 ( -2.831 -3.473 -1.125) 4.620 2.468 ( 1.562 2.168 0.219) 2.681 2.519 ( -0.784 -1.372 -1.703) 2.323 2.549 ( 1.224 0.898 0.090) 1.521 2.603 ( -3.289 0.278 -0.150) 3.304 2.627 ( 3.919 -0.538 0.683) 4.014 2.658 ( 0.404 0.550 3.150) 3.223 2.667 ( -2.051 2.129 2.139) 3.649 2.720 ( -1.639 1.518 0.521) 2.294 2.767 ( 0.171 1.741 3.141) 3.595 2.782 ( -0.062 1.214 -3.278) 3.496 2.831 ( 1.973 -0.443 1.013) 2.262 2.846 ( -0.720 2.933 -0.261) 3.032 2.922 ( -3.710 2.502 -3.444) 5.647 2.963 ( 5.799 0.859 1.135) 5.971 2.977 ( -2.483 -0.968 -0.464) 2.705 3.014 ( -0.742 -1.365 -0.027) 1.553 3.036 ( -3.063 1.094 -3.109) 4.500 3.077 ( -0.083 -5.941 1.878) 6.232 3.109 ( -0.212 -4.677 -0.219) 4.687 3.145 ( -0.640 -1.702 0.696) 1.947 3.173 ( 0.834 -1.858 -0.285) 2.056 3.215 ( 0.259 -3.637 0.269) 3.656 3.252 ( -2.391 -5.929 -1.550) 6.578 3.414 ( 6.847 -0.938 3.148) 7.594 3.457 ( 1.508 -0.550 0.187) 1.616 3.569 ( 4.654 0.646 2.198) 5.187 3.616 ( -3.432 -0.410 -1.481) 3.760 3.672 ( 1.164 2.808 -0.610) 3.100 3.702 ( -1.396 3.575 -2.333) 4.491 4.119 ( 4.207 -0.108 2.749) 5.027 4.230 ( -5.826 2.757 -6.744) 9.328 4.339 ( 1.740 6.895 3.673) 8.004 4.427 ( -1.845 6.178 -3.877) 7.523 4.520 ( 4.351 1.986 4.549) 6.601 4.603 ( -4.345 3.254 -1.892) 5.749 4.640 ( -0.299 1.404 0.642) 1.572 4.669 ( -0.950 2.809 -0.698) 3.047 4.788 ( 1.616 0.786 0.510) 1.868 4.826 ( -0.989 1.536 -3.123) 3.618 4.976 ( 2.324 -0.034 4.464) 5.033 5.083 ( 2.920 -3.146 -2.002) 4.736 5.104 ( -1.698 0.603 -1.357) 2.255 5.134 ( -0.978 -1.748 -1.032) 2.253 5.209 ( 2.362 1.774 2.743) 4.031 5.250 ( -0.683 0.584 -0.234) 0.929 5.531 ( 1.503 0.247 1.919) 2.450 5.557 ( -0.141 -1.050 -0.061) 1.061 5.635 ( 5.013 3.883 3.798) 7.391 5.685 ( 1.138 1.234 4.186) 4.510 5.704 ( 2.291 -0.241 0.921) 2.481 5.734 ( -2.055 -0.815 0.308) 2.232 5.766 ( -0.569 0.047 -0.137) 0.587 5.812 ( -2.138 0.205 -3.528) 4.130 5.828 ( -1.632 5.071 3.378) 6.308 5.898 ( 0.967 4.904 2.727) 5.694 5.939 ( 0.441 1.433 2.718) 3.104 5.991 ( 2.184 -0.164 2.121) 3.049 6.042 ( -1.306 -0.864 0.910) 1.811 6.073 ( -1.291 0.913 -2.526) 2.979 6.103 ( -2.025 1.087 -4.733) 5.262 6.145 ( -1.165 2.050 -3.837) 4.503 6.233 ( 0.782 1.851 0.759) 2.148 6.270 ( -1.274 4.930 -1.525) 5.315 6.322 ( 0.492 3.665 0.986) 3.827 6.339 ( 1.480 4.085 1.253) 4.522 6.415 ( 3.045 2.791 -0.150) 4.133 6.487 ( -1.203 2.861 -1.987) 3.685 6.501 ( -2.394 1.274 -1.710) 3.206 6.533 ( -3.597 3.868 -5.036) 7.298 6.613 ( 0.848 -0.877 2.900) 3.147 6.633 ( -1.434 0.495 0.136) 1.523 6.660 ( -0.522 -0.213 -1.384) 1.495 6.676 ( -0.066 0.339 -2.554) 2.577 6.833 ( -0.024 3.234 1.754) 3.680 6.849 ( -0.184 3.500 0.866) 3.610 6.899 ( 3.051 2.188 7.709) 8.574 7.223 ( -2.655 -4.798 -15.424) 16.370 7.543 ( 4.827 -4.417 10.047) 11.990 7.677 ( 1.186 0.250 6.528) 6.639 7.788 ( -0.948 -2.640 -9.328) 9.740 7.827 ( -0.144 -4.230 -3.507) 5.496 7.925 ( 12.286 -2.112 19.669) 23.287 8.080 ( -4.063 -3.235 6.334) 8.191 8.294 ( 2.285 -3.641 -6.208) 7.551 8.412 ( -8.717 -7.790 -15.052) 19.059 ======================= Grid point 132 (66/84) ======================= q-point: (-0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -14.988 17.838 -0.184) 23.300 1.115 ( -19.885 10.389 6.262) 23.293 1.486 ( 13.652 10.146 1.260) 17.056 1.614 ( 15.863 6.947 -6.353) 18.446 1.829 ( -25.506 11.172 0.400) 27.848 2.181 ( -1.872 1.130 3.359) 4.008 2.219 ( -4.062 1.458 -2.679) 5.080 2.247 ( -3.832 -3.812 -1.118) 5.520 2.265 ( -6.536 -3.371 -0.313) 7.360 2.386 ( 3.624 1.971 2.663) 4.910 2.402 ( -1.939 -0.075 2.685) 3.313 2.422 ( -6.414 2.919 -3.193) 7.737 2.508 ( 0.080 -0.693 -0.319) 0.767 2.549 ( -5.752 -0.625 0.866) 5.850 2.558 ( -1.215 -2.354 1.559) 3.074 2.640 ( -0.813 1.163 0.742) 1.601 2.654 ( 1.149 -0.725 -0.312) 1.394 2.678 ( -3.320 0.616 -2.248) 4.056 2.711 ( -1.934 3.188 5.045) 6.273 2.767 ( -3.888 0.252 -0.666) 3.953 2.784 ( -1.324 3.406 -1.553) 3.970 2.791 ( 0.284 0.762 -1.591) 1.787 2.856 ( 1.431 -1.119 3.781) 4.195 2.875 ( -4.151 -0.182 -1.946) 4.588 2.940 ( 1.157 2.409 3.127) 4.113 2.996 ( -0.518 -0.766 -3.306) 3.433 3.017 ( 0.072 -2.318 0.915) 2.493 3.064 ( 1.157 -6.422 0.546) 6.548 3.084 ( 3.262 1.286 3.544) 4.985 3.133 ( 1.001 -3.648 -2.077) 4.315 3.152 ( 0.538 -8.104 0.964) 8.179 3.187 ( 3.584 1.106 1.940) 4.223 3.219 ( 0.901 -0.646 -1.652) 1.990 3.299 ( 4.534 -4.447 1.171) 6.458 3.390 ( -1.522 -1.362 -5.469) 5.838 3.460 ( -1.040 0.641 -2.901) 3.148 3.541 ( -2.459 0.889 -2.348) 3.514 3.651 ( -0.897 2.393 -0.369) 2.582 3.668 ( 5.485 0.635 0.749) 5.572 3.733 ( 4.412 3.159 0.809) 5.487 4.115 ( -0.201 -0.107 -3.050) 3.059 4.277 ( 8.865 2.860 5.495) 10.815 4.360 ( -0.248 6.763 -3.592) 7.662 4.425 ( 2.982 5.153 3.941) 7.140 4.505 ( -3.351 2.287 -3.349) 5.260 4.599 ( -2.718 2.449 0.666) 3.719 4.652 ( 5.468 3.224 2.682) 6.890 4.722 ( 4.445 1.813 1.308) 4.975 4.777 ( -0.919 0.654 -1.728) 2.064 4.824 ( 1.350 2.150 1.099) 2.767 4.986 ( -2.274 0.277 -4.206) 4.789 5.053 ( 0.549 -2.150 0.625) 2.306 5.129 ( 3.388 0.221 0.835) 3.496 5.142 ( 0.418 0.013 -0.001) 0.418 5.205 ( -1.856 2.698 -2.841) 4.335 5.273 ( 2.913 -1.964 -0.093) 3.514 5.521 ( -1.719 0.887 -0.834) 2.106 5.554 ( -0.679 -1.373 -0.741) 1.701 5.603 ( -3.700 3.526 -2.584) 5.728 5.670 ( -3.979 1.700 -1.899) 4.725 5.704 ( -0.253 0.066 -2.326) 2.340 5.756 ( 1.439 -1.328 0.872) 2.144 5.780 ( -2.415 -0.479 -4.678) 5.286 5.824 ( 3.340 -0.713 2.945) 4.509 5.867 ( 3.745 6.090 2.932) 7.727 5.926 ( 1.295 1.772 -1.515) 2.666 5.959 ( -0.999 -0.582 -2.728) 2.963 5.992 ( -0.435 1.406 -3.036) 3.374 6.022 ( -0.254 1.320 4.235) 4.443 6.096 ( 1.594 4.292 2.107) 5.040 6.106 ( 5.293 -1.279 1.634) 5.685 6.142 ( 2.701 0.980 2.759) 3.983 6.233 ( -0.519 1.809 -1.050) 2.155 6.272 ( 1.381 4.101 2.166) 4.839 6.324 ( -0.636 4.364 -1.524) 4.666 6.358 ( 1.432 5.902 -2.879) 6.721 6.374 ( -2.819 3.273 -0.312) 4.331 6.460 ( -2.874 1.585 -0.097) 3.283 6.531 ( 3.455 0.488 2.432) 4.253 6.542 ( 4.510 3.638 5.413) 7.929 6.611 ( -1.421 1.057 0.536) 1.850 6.638 ( -0.138 1.605 1.018) 1.906 6.669 ( 2.266 0.136 -0.933) 2.454 6.680 ( 2.402 -1.141 0.970) 2.830 6.844 ( 0.971 2.218 0.569) 2.487 6.871 ( 2.391 4.526 0.569) 5.150 6.955 ( -3.268 3.036 -15.944) 16.556 7.129 ( 3.812 -1.309 14.916) 15.451 7.557 ( -7.588 -4.464 -11.883) 14.789 7.652 ( -4.893 -0.445 2.579) 5.548 7.751 ( -2.664 -1.916 -3.525) 4.816 7.770 ( -1.952 -4.527 4.595) 6.740 7.927 ( -11.207 -4.134 -15.075) 19.234 8.176 ( -0.062 -3.691 0.373) 3.710 8.189 ( -3.639 -3.357 -1.613) 5.207 8.383 ( 6.621 -8.121 14.749) 18.092 ======================= Grid point 133 (67/84) ======================= q-point: (-0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -18.787 13.540 2.104) 23.253 0.951 ( -11.360 20.467 9.579) 25.292 1.567 ( -24.944 11.387 18.842) 33.270 1.667 ( 8.201 6.147 1.359) 10.339 1.770 ( 12.907 12.170 -1.715) 17.823 2.019 ( -7.914 -3.178 -8.892) 12.320 2.108 ( -9.175 4.404 -5.915) 11.771 2.143 ( -5.084 -0.768 -1.782) 5.442 2.241 ( -5.813 0.899 -1.678) 6.117 2.260 ( -4.472 1.638 -2.827) 5.538 2.344 ( -6.224 0.731 -0.377) 6.278 2.396 ( -1.935 0.891 -2.092) 2.985 2.498 ( -7.878 -5.123 2.140) 9.638 2.530 ( -4.654 -0.206 -1.887) 5.026 2.550 ( 1.392 -0.279 4.389) 4.612 2.613 ( -2.500 -0.972 1.030) 2.874 2.638 ( 0.850 -1.994 2.987) 3.690 2.671 ( -1.922 1.050 -1.209) 2.501 2.709 ( 1.727 -0.515 1.148) 2.137 2.733 ( -1.480 1.226 -1.558) 2.474 2.779 ( -2.968 2.268 2.641) 4.575 2.804 ( 1.381 1.787 1.299) 2.605 2.845 ( 0.354 0.432 0.825) 0.996 2.907 ( -1.791 -3.113 2.198) 4.211 2.938 ( -1.058 -1.055 -2.845) 3.214 2.968 ( -1.974 -2.656 1.040) 3.469 3.020 ( -0.193 -0.498 -0.810) 0.970 3.070 ( -0.929 -7.688 -4.633) 9.024 3.081 ( -1.671 -0.315 -2.552) 3.067 3.102 ( -0.883 -2.073 -2.763) 3.565 3.143 ( 0.758 -1.454 1.410) 2.163 3.239 ( 3.278 -2.123 0.109) 3.907 3.257 ( 0.409 1.740 -2.592) 3.149 3.311 ( 2.642 -2.892 0.502) 3.949 3.402 ( 3.807 1.930 -0.800) 4.343 3.453 ( 0.562 3.401 -3.605) 4.987 3.483 ( 2.881 1.005 3.031) 4.301 3.656 ( 0.839 0.837 2.764) 3.007 3.742 ( 3.923 -0.747 -1.965) 4.451 3.791 ( 3.886 2.547 0.571) 4.681 4.136 ( 4.053 0.821 1.308) 4.337 4.348 ( 2.253 4.488 -0.435) 5.040 4.420 ( 0.272 2.611 -1.028) 2.820 4.464 ( 3.015 3.541 3.459) 5.796 4.524 ( 5.376 2.738 2.574) 6.559 4.604 ( -0.033 3.486 2.198) 4.121 4.682 ( 0.188 3.219 -3.871) 5.038 4.767 ( 0.524 5.043 -1.779) 5.373 4.774 ( 2.761 4.245 0.253) 5.070 4.878 ( 2.543 1.238 3.838) 4.767 4.948 ( 2.165 1.308 0.019) 2.529 5.078 ( 1.018 -0.135 1.136) 1.532 5.114 ( 1.339 1.881 -0.799) 2.443 5.141 ( 0.385 0.908 -1.959) 2.193 5.238 ( 3.440 0.092 3.266) 4.744 5.271 ( 0.525 0.582 -2.482) 2.603 5.505 ( -0.482 2.857 -1.441) 3.236 5.508 ( -2.397 2.514 -2.871) 4.506 5.546 ( -1.410 -0.687 -2.284) 2.771 5.609 ( -0.473 1.701 -0.857) 1.962 5.627 ( -3.264 0.080 -3.109) 4.508 5.676 ( 0.897 2.490 -2.184) 3.431 5.764 ( -0.065 -1.328 -0.479) 1.414 5.862 ( 0.142 0.166 -0.477) 0.525 5.872 ( -0.135 3.105 -2.595) 4.049 5.924 ( 0.189 0.792 0.259) 0.854 5.934 ( -0.449 -0.383 -1.022) 1.180 6.020 ( 1.966 5.579 -3.305) 6.776 6.093 ( 6.032 1.037 2.886) 6.767 6.160 ( 1.337 -1.264 5.176) 5.494 6.193 ( 2.363 1.039 0.096) 2.583 6.207 ( 1.768 -0.835 2.385) 3.084 6.251 ( 2.871 2.606 -0.080) 3.878 6.270 ( -3.349 2.516 -2.926) 5.109 6.299 ( 1.698 3.610 0.269) 3.999 6.316 ( 0.048 5.334 -0.501) 5.358 6.395 ( -0.448 0.327 3.434) 3.479 6.447 ( 0.072 2.715 0.865) 2.850 6.566 ( 0.020 -0.705 -0.984) 1.211 6.601 ( 1.742 4.948 -0.502) 5.270 6.635 ( 0.976 6.117 -2.116) 6.546 6.684 ( -0.532 4.918 -1.077) 5.063 6.696 ( 2.404 0.486 3.041) 3.907 6.740 ( 3.239 2.284 3.996) 5.628 6.792 ( 1.133 4.156 -2.176) 4.826 6.919 ( 3.943 1.734 5.278) 6.813 6.967 ( 4.639 5.260 3.736) 7.946 7.284 ( -7.510 -5.551 -6.549) 11.406 7.320 ( -2.480 -3.085 6.218) 7.371 7.388 ( -16.023 2.161 -17.493) 23.821 7.588 ( -0.641 0.848 -6.340) 6.428 7.726 ( -5.926 -6.795 1.552) 9.148 7.842 ( -1.930 -2.578 4.512) 5.543 8.098 ( 0.365 -4.881 -7.710) 9.132 8.167 ( -7.036 -3.696 5.656) 9.755 8.597 ( -0.371 -15.255 7.996) 17.227 ======================= Grid point 134 (68/84) ======================= q-point: (-0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -6.872 12.000 13.245) 19.149 1.002 ( -8.552 13.765 18.522) 24.611 1.591 ( -12.714 14.023 25.411) 31.686 1.757 ( -6.105 -1.918 -11.053) 12.772 1.806 ( 5.129 3.763 0.283) 6.368 1.870 ( -6.017 6.339 -12.707) 15.422 1.917 ( 6.998 10.539 1.652) 12.758 2.038 ( -5.404 -0.587 -3.094) 6.255 2.124 ( -2.700 -4.054 -2.398) 5.429 2.170 ( -5.019 -1.265 -3.315) 6.146 2.270 ( -5.227 3.851 0.614) 6.521 2.325 ( -3.349 2.347 -2.098) 4.596 2.400 ( -4.937 -2.778 -2.843) 6.339 2.474 ( -4.026 -1.116 0.878) 4.269 2.562 ( -2.056 -1.298 -0.291) 2.449 2.627 ( 0.174 -0.545 -0.525) 0.776 2.631 ( 0.056 0.470 -3.996) 4.023 2.673 ( -2.295 -0.721 0.801) 2.535 2.697 ( -1.421 -1.016 0.845) 1.940 2.725 ( 1.421 0.425 0.218) 1.499 2.776 ( -1.957 0.874 2.560) 3.339 2.798 ( 0.298 0.171 -3.535) 3.552 2.854 ( -0.719 1.401 0.009) 1.575 2.878 ( -1.602 -0.221 -2.491) 2.970 2.896 ( -2.696 1.646 0.684) 3.232 2.918 ( -0.792 0.269 2.825) 2.946 2.969 ( -2.055 -2.383 -2.114) 3.791 3.021 ( -0.470 -2.097 -0.832) 2.304 3.039 ( -0.727 -1.866 -3.081) 3.675 3.085 ( -0.091 -2.286 -1.059) 2.521 3.157 ( -0.932 1.426 -1.686) 2.397 3.229 ( -0.112 1.671 -3.390) 3.781 3.274 ( 3.594 -0.407 -0.017) 3.617 3.318 ( -0.637 1.809 -5.009) 5.363 3.399 ( 4.498 -2.077 3.214) 5.906 3.507 ( 3.105 3.285 1.902) 4.904 3.600 ( 3.607 -2.785 3.700) 5.870 3.723 ( 2.140 -0.470 0.542) 2.257 3.737 ( 1.328 -0.409 0.995) 1.709 3.857 ( 3.063 -0.212 0.814) 3.176 4.243 ( 4.932 2.170 4.324) 6.909 4.370 ( 1.759 -0.125 -0.413) 1.811 4.426 ( 0.948 4.310 0.574) 4.450 4.505 ( -0.142 4.200 1.518) 4.468 4.592 ( 0.475 3.699 -3.235) 4.937 4.600 ( -0.089 0.625 0.493) 0.801 4.650 ( -1.635 7.509 -1.162) 7.773 4.722 ( -0.413 6.367 -2.658) 6.912 4.875 ( 5.235 1.923 4.561) 7.204 4.919 ( 2.604 2.155 0.648) 3.442 5.072 ( 4.350 0.253 6.333) 7.687 5.098 ( 0.415 -1.079 0.636) 1.320 5.125 ( 1.108 0.790 -1.240) 1.841 5.167 ( 3.639 1.351 2.192) 4.458 5.283 ( 0.201 0.319 0.500) 0.626 5.323 ( 5.171 -0.361 0.804) 5.245 5.459 ( 1.336 3.864 -0.682) 4.145 5.516 ( 4.000 5.215 1.496) 6.740 5.567 ( 1.973 -0.071 0.849) 2.149 5.587 ( 1.621 -0.659 1.921) 2.598 5.633 ( 1.543 0.081 0.430) 1.603 5.687 ( 2.061 0.616 1.098) 2.415 5.767 ( 0.495 -0.950 0.019) 1.072 5.844 ( 1.168 2.088 -1.416) 2.780 5.855 ( -0.625 0.864 -0.315) 1.112 5.887 ( -1.621 1.799 -1.492) 2.845 5.952 ( 0.505 0.385 0.243) 0.680 6.006 ( 2.842 5.004 -2.259) 6.182 6.131 ( -1.720 1.195 -2.211) 3.045 6.149 ( -2.726 1.997 -3.998) 5.235 6.201 ( 1.191 2.892 -0.343) 3.147 6.228 ( -1.006 -0.865 1.488) 1.993 6.257 ( 0.626 0.296 0.333) 0.768 6.303 ( 0.329 0.567 -0.825) 1.054 6.323 ( 1.509 0.969 1.823) 2.557 6.351 ( 2.674 3.343 2.647) 5.033 6.429 ( -0.116 0.778 2.904) 3.009 6.472 ( -0.676 -1.189 2.582) 2.922 6.537 ( -0.209 5.982 -0.325) 5.994 6.606 ( 0.148 0.469 -2.230) 2.284 6.635 ( -0.184 4.108 -2.144) 4.638 6.660 ( -2.894 2.884 -1.059) 4.221 6.693 ( -3.346 1.236 -2.198) 4.190 6.741 ( -2.117 0.284 -1.938) 2.884 6.828 ( 4.816 9.806 -5.428) 12.199 6.918 ( -6.054 5.371 -4.132) 9.087 6.963 ( -5.270 7.099 -6.264) 10.836 7.111 ( 0.431 6.296 1.472) 6.480 7.250 ( 8.062 -6.326 5.171) 11.478 7.400 ( 3.766 -2.891 5.319) 7.130 7.588 ( 3.384 -1.136 -0.629) 3.624 7.687 ( -4.167 -9.076 3.798) 10.685 7.847 ( -4.587 -0.539 3.472) 5.778 8.014 ( 2.612 -4.623 -8.182) 9.754 8.146 ( -4.744 -6.644 5.330) 9.750 8.555 ( -10.612 -17.490 -1.313) 20.500 ======================= Grid point 135 (69/84) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 2.435 7.198 13.386) 15.392 1.294 ( -1.982 7.242 16.831) 18.430 1.444 ( -3.923 -1.003 -13.628) 14.217 1.686 ( 0.505 0.323 -17.542) 17.552 1.887 ( -2.005 -2.974 -0.729) 3.660 1.893 ( -0.656 -4.936 -1.761) 5.282 2.029 ( 3.830 3.010 0.152) 4.873 2.045 ( 2.800 -3.568 3.340) 5.632 2.058 ( -2.353 1.204 -0.239) 2.654 2.167 ( -0.622 -0.263 -3.696) 3.758 2.272 ( -1.909 7.138 3.188) 8.047 2.321 ( -0.024 2.561 -2.172) 3.358 2.383 ( 2.134 9.702 5.924) 11.567 2.451 ( -5.362 5.106 0.886) 7.457 2.543 ( 1.592 4.473 2.433) 5.335 2.627 ( 0.831 1.316 -0.674) 1.696 2.641 ( 0.123 1.664 -1.243) 2.081 2.667 ( -0.761 7.794 -5.683) 9.676 2.717 ( -0.547 0.678 1.692) 1.903 2.756 ( 1.457 0.768 -1.399) 2.161 2.809 ( 1.846 0.138 1.567) 2.425 2.814 ( -0.718 -0.621 1.041) 1.408 2.848 ( 1.173 0.611 1.449) 1.962 2.858 ( 0.449 -1.175 0.887) 1.539 2.897 ( -1.973 -0.327 -0.056) 2.001 2.915 ( 0.942 -0.889 0.308) 1.332 2.956 ( -0.075 0.632 0.609) 0.881 3.004 ( -0.307 1.996 -1.725) 2.656 3.022 ( -0.137 0.629 2.517) 2.598 3.092 ( -0.410 3.050 -2.116) 3.734 3.165 ( -1.118 4.108 2.397) 4.886 3.243 ( 0.344 2.841 -1.222) 3.112 3.283 ( -1.486 1.757 -2.440) 3.354 3.312 ( 1.796 1.135 -1.577) 2.646 3.451 ( 3.305 -4.548 4.483) 7.191 3.535 ( -0.796 -2.601 -2.087) 3.429 3.620 ( 0.291 -2.329 1.321) 2.693 3.666 ( -0.548 -1.287 -3.318) 3.601 3.770 ( 1.833 -2.184 1.954) 3.456 3.809 ( -1.875 -3.745 -1.537) 4.461 4.392 ( 1.500 4.782 2.357) 5.538 4.421 ( 0.760 3.605 0.056) 3.684 4.534 ( -0.262 2.534 2.845) 3.819 4.596 ( 1.349 1.191 -2.653) 3.206 4.654 ( -1.946 4.158 2.354) 5.159 4.677 ( 2.231 7.685 1.166) 8.087 4.725 ( -2.829 7.441 -0.119) 7.962 4.786 ( -2.400 6.073 -4.053) 7.685 4.988 ( -0.177 0.513 1.634) 1.722 5.003 ( 0.929 0.947 0.911) 1.610 5.073 ( 0.673 -1.208 1.524) 2.058 5.112 ( 0.006 -0.734 -0.479) 0.877 5.173 ( 1.188 -0.297 1.457) 1.903 5.215 ( -2.534 -2.444 -2.213) 4.159 5.251 ( 2.624 -1.993 2.210) 3.967 5.315 ( -1.094 -4.260 -2.353) 4.988 5.477 ( -0.738 0.318 -0.950) 1.244 5.497 ( -1.026 1.174 -2.598) 3.030 5.629 ( 2.547 -1.913 1.910) 3.714 5.656 ( -1.715 -1.842 0.028) 2.517 5.677 ( 3.579 -1.171 0.964) 3.887 5.700 ( 0.687 -2.461 -0.563) 2.616 5.829 ( 1.267 1.133 1.188) 2.073 5.875 ( -0.899 -0.878 -2.455) 2.758 5.943 ( 3.682 5.826 3.681) 7.814 5.971 ( 1.751 4.373 2.895) 5.529 6.031 ( 2.022 5.848 3.527) 7.123 6.047 ( -3.027 2.831 -0.426) 4.166 6.077 ( -0.096 1.490 -2.583) 2.983 6.135 ( -1.590 4.336 -3.275) 5.661 6.198 ( -1.560 -0.848 0.068) 1.777 6.221 ( -1.919 -0.704 -1.618) 2.607 6.299 ( -0.827 2.008 0.830) 2.325 6.329 ( 2.090 2.390 -0.993) 3.326 6.366 ( -0.026 2.562 1.998) 3.249 6.373 ( 2.348 0.277 1.430) 2.763 6.497 ( -1.914 -0.153 -2.611) 3.241 6.500 ( -1.348 1.480 -1.668) 2.606 6.577 ( 3.870 6.214 3.223) 7.999 6.624 ( -1.873 3.776 0.140) 4.218 6.634 ( -3.084 2.795 -1.045) 4.291 6.680 ( -0.759 3.432 -2.411) 4.262 6.711 ( -0.221 5.093 3.104) 5.968 6.776 ( -3.651 8.609 0.301) 9.356 6.796 ( 0.850 3.021 -2.545) 4.041 6.890 ( -4.496 7.839 -6.840) 11.334 7.227 ( -9.774 5.975 2.606) 11.748 7.273 ( 10.017 -0.927 0.426) 10.069 7.368 ( 4.698 0.001 1.767) 5.019 7.403 ( 1.832 -2.414 -0.656) 3.100 7.491 ( 0.019 -5.671 1.114) 5.780 7.547 ( 4.227 -8.171 -2.369) 9.500 7.786 ( -4.881 -4.348 3.532) 7.430 7.871 ( 0.710 -8.835 -3.741) 9.621 7.978 ( 0.752 -14.168 3.404) 14.590 8.060 ( 1.251 -13.025 -4.032) 13.692 ======================= Grid point 136 (70/84) ======================= q-point: ( 0.12 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 3.196 8.519 -11.876) 14.961 1.400 ( 6.678 1.811 14.806) 16.343 1.546 ( 10.790 2.083 -16.432) 19.768 1.585 ( 11.407 2.954 17.284) 20.918 1.917 ( 5.833 -4.327 1.728) 7.466 1.951 ( 6.231 -2.903 1.178) 6.974 1.979 ( -3.120 2.903 -1.666) 4.575 2.051 ( 0.148 -4.438 -1.040) 4.561 2.119 ( 3.032 3.701 -3.382) 5.859 2.171 ( 4.634 -2.898 2.772) 6.128 2.275 ( -1.261 6.465 1.791) 6.826 2.351 ( 5.558 2.375 0.577) 6.071 2.400 ( -0.528 4.147 -1.019) 4.303 2.523 ( 4.252 6.416 1.291) 7.804 2.556 ( -1.552 6.089 -4.895) 7.965 2.587 ( 0.164 3.720 4.473) 5.820 2.641 ( 0.260 5.623 0.836) 5.691 2.660 ( 1.801 0.001 -0.176) 1.809 2.722 ( -0.355 2.087 0.518) 2.179 2.745 ( 0.420 0.607 -1.180) 1.392 2.785 ( -1.959 0.835 0.034) 2.130 2.819 ( -1.492 -2.079 -0.042) 2.559 2.857 ( 0.290 -0.521 -3.438) 3.489 2.878 ( 1.650 1.201 -1.165) 2.350 2.900 ( 1.925 0.107 2.220) 2.940 2.943 ( 1.992 0.548 -0.641) 2.163 2.976 ( 0.599 -1.863 -2.171) 2.923 2.990 ( 1.395 1.444 3.534) 4.065 3.038 ( -1.199 1.296 -2.183) 2.808 3.076 ( 0.944 2.825 2.652) 3.988 3.187 ( -0.849 4.395 -0.719) 4.533 3.231 ( 0.768 3.602 0.322) 3.697 3.269 ( -1.283 2.245 2.381) 3.515 3.296 ( 0.154 1.132 -1.470) 1.862 3.436 ( -4.915 -4.264 -4.506) 7.915 3.522 ( -0.779 -3.342 0.961) 3.564 3.618 ( -1.665 -1.150 -1.503) 2.520 3.645 ( -0.447 -2.938 2.041) 3.605 3.758 ( -1.728 -1.185 -1.199) 2.414 3.811 ( 0.233 -3.665 1.177) 3.857 4.383 ( -3.154 5.097 -2.259) 6.406 4.406 ( -1.844 3.982 -1.156) 4.538 4.541 ( -3.471 1.482 0.627) 3.826 4.556 ( -0.615 2.023 -1.183) 2.423 4.639 ( -1.559 7.811 2.841) 8.457 4.688 ( -1.802 5.143 -3.242) 6.341 4.741 ( 3.191 5.794 3.188) 7.343 4.798 ( 2.593 6.245 2.409) 7.179 4.953 ( -3.084 1.609 0.160) 3.482 4.996 ( -7.564 0.087 -2.010) 7.827 5.045 ( 2.249 -1.033 0.751) 2.586 5.131 ( -1.929 -0.101 -1.085) 2.215 5.167 ( -0.676 -0.446 -1.309) 1.539 5.220 ( -4.687 -2.292 -2.510) 5.790 5.228 ( 2.450 -2.752 2.175) 4.279 5.289 ( -1.747 -3.308 1.729) 4.121 5.477 ( 0.418 0.489 1.288) 1.440 5.488 ( 0.274 0.814 1.708) 1.911 5.603 ( -3.173 -1.134 -1.260) 3.597 5.630 ( -5.031 -1.226 -3.151) 6.061 5.676 ( -1.213 -1.213 -1.911) 2.568 5.696 ( 0.188 -4.019 -0.728) 4.089 5.819 ( -1.056 1.035 -0.579) 1.588 5.870 ( 0.160 -0.510 0.991) 1.126 5.918 ( -3.858 6.054 -3.027) 7.791 5.953 ( -4.076 4.604 -2.163) 6.518 6.034 ( -1.584 3.123 -1.716) 3.899 6.051 ( -1.914 5.235 -1.592) 5.797 6.080 ( 2.824 2.503 2.069) 4.303 6.130 ( 2.373 5.084 4.180) 6.996 6.195 ( -0.758 -1.014 1.284) 1.803 6.222 ( 0.453 -1.263 1.788) 2.236 6.281 ( -2.057 1.820 0.119) 2.749 6.316 ( -1.208 0.334 -0.533) 1.362 6.361 ( -1.477 1.434 -2.700) 3.395 6.402 ( 2.473 1.240 -0.786) 2.876 6.503 ( 2.443 -0.156 1.848) 3.067 6.524 ( 2.561 1.187 0.593) 2.884 6.560 ( -1.780 4.067 -1.875) 4.819 6.636 ( 0.770 2.782 3.458) 4.505 6.649 ( -0.405 2.145 -2.480) 3.304 6.700 ( 4.659 5.572 2.461) 7.669 6.729 ( -0.076 4.849 0.609) 4.888 6.770 ( 0.122 6.264 1.109) 6.363 6.799 ( 1.923 7.828 3.700) 8.869 6.910 ( 7.114 6.971 5.722) 11.486 7.114 ( -8.964 8.279 1.835) 12.340 7.300 ( -6.231 -0.887 -4.747) 7.883 7.348 ( -9.167 -2.805 -3.042) 10.057 7.390 ( 4.025 -3.399 -3.623) 6.393 7.465 ( 0.659 -4.630 0.349) 4.690 7.585 ( 6.488 -9.176 -1.935) 11.403 7.745 ( -7.011 -3.884 3.379) 8.698 7.912 ( 8.741 -4.602 -1.121) 9.942 8.056 ( 7.662 -12.007 -2.646) 14.487 8.151 ( 12.399 -16.893 0.962) 20.977 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.25 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 9.560 15.388 -4.846) 18.753 1.513 ( 11.705 8.622 -13.611) 19.916 1.678 ( 6.634 -1.306 12.392) 14.117 1.843 ( -7.922 8.455 -1.415) 11.673 1.983 ( 13.818 3.490 12.253) 18.795 2.033 ( 2.026 1.150 -1.749) 2.913 2.062 ( 8.754 -0.680 0.639) 8.804 2.125 ( 3.077 5.542 -4.046) 7.520 2.145 ( 8.613 0.925 4.873) 9.939 2.203 ( 3.854 1.064 1.678) 4.336 2.353 ( 3.308 -1.722 3.744) 5.284 2.392 ( 3.344 -0.391 -2.470) 4.175 2.445 ( 6.208 1.863 -1.354) 6.622 2.512 ( -0.231 -2.456 0.389) 2.497 2.527 ( 1.567 0.522 -0.189) 1.663 2.612 ( -0.764 0.875 -1.116) 1.611 2.634 ( -2.301 2.192 0.076) 3.179 2.711 ( 3.189 0.193 -0.272) 3.207 2.728 ( 2.098 1.241 -0.530) 2.495 2.744 ( 0.511 1.162 -2.044) 2.407 2.778 ( -2.010 0.927 1.970) 2.963 2.811 ( 0.998 -1.237 0.248) 1.609 2.844 ( 3.129 0.002 0.186) 3.135 2.891 ( 2.273 -0.734 -1.657) 2.907 2.924 ( 0.272 -1.081 -1.116) 1.577 2.961 ( 0.807 0.645 -1.918) 2.178 2.971 ( 0.220 0.021 0.955) 0.981 3.004 ( 1.964 -0.922 -1.856) 2.855 3.056 ( 2.170 1.112 1.876) 3.076 3.114 ( 0.804 2.264 0.562) 2.467 3.174 ( -5.345 -3.147 -3.439) 7.092 3.190 ( 0.774 2.400 1.425) 2.896 3.221 ( -2.897 0.904 -0.915) 3.170 3.327 ( 0.546 2.128 1.880) 2.891 3.389 ( 0.211 3.847 2.554) 4.622 3.466 ( -6.090 -1.538 -1.105) 6.378 3.562 ( -2.727 0.232 -2.125) 3.465 3.660 ( -1.724 -2.214 2.355) 3.664 3.724 ( -1.664 0.354 -1.708) 2.411 3.806 ( -1.100 -1.954 -0.051) 2.243 4.256 ( -5.746 4.284 -5.578) 9.082 4.387 ( -1.758 4.384 2.522) 5.354 4.487 ( -2.477 2.730 -1.105) 3.849 4.558 ( -0.402 0.830 0.047) 0.923 4.638 ( -3.125 4.262 -1.565) 5.512 4.657 ( 0.646 4.993 0.158) 5.038 4.760 ( -3.902 3.607 -2.355) 5.812 4.829 ( 1.676 5.955 3.551) 7.133 4.885 ( -4.826 2.158 -0.683) 5.331 4.958 ( 0.434 4.102 1.296) 4.324 5.036 ( -7.303 1.005 -4.756) 8.773 5.066 ( -1.980 0.117 -0.362) 2.016 5.097 ( 0.236 -0.333 0.517) 0.659 5.177 ( -1.684 0.779 -0.767) 2.008 5.271 ( -2.531 0.066 1.627) 3.009 5.290 ( 0.745 -0.829 0.509) 1.225 5.480 ( -3.573 0.956 0.560) 3.741 5.495 ( -4.523 0.172 0.175) 4.529 5.553 ( -0.912 -0.820 0.095) 1.230 5.560 ( 2.010 -2.379 0.919) 3.248 5.601 ( -1.580 -1.072 0.649) 2.017 5.689 ( -0.218 -1.869 -1.360) 2.321 5.828 ( -0.465 4.173 1.185) 4.363 5.839 ( -1.886 3.631 -1.130) 4.245 5.881 ( -0.227 2.259 1.039) 2.496 5.914 ( 0.716 1.377 0.528) 1.640 5.983 ( -1.805 3.593 -2.159) 4.563 6.018 ( -1.086 1.816 -0.197) 2.125 6.141 ( 1.701 2.138 1.668) 3.201 6.180 ( -1.727 0.024 0.689) 1.860 6.197 ( -1.381 -0.144 0.737) 1.572 6.224 ( -0.125 -0.634 -0.856) 1.073 6.250 ( -2.006 1.497 0.037) 2.503 6.304 ( -0.987 0.578 1.288) 1.723 6.330 ( 0.707 1.300 0.030) 1.480 6.428 ( 2.218 1.677 -0.745) 2.879 6.504 ( -0.671 5.461 -2.091) 5.886 6.548 ( 1.276 1.087 -1.706) 2.392 6.570 ( -1.965 0.728 -4.023) 4.536 6.575 ( 1.165 -1.025 3.508) 3.836 6.699 ( 0.585 2.921 1.348) 3.270 6.712 ( -1.521 1.951 -0.020) 2.473 6.733 ( 0.760 3.802 0.836) 3.966 6.878 ( 0.373 7.157 2.811) 7.698 6.913 ( 2.819 6.946 6.338) 9.817 7.041 ( -3.237 -2.499 1.840) 4.484 7.099 ( 4.571 5.698 1.595) 7.478 7.139 ( -5.187 2.736 -5.387) 7.963 7.180 ( -6.107 5.827 -0.283) 8.446 7.328 ( -1.529 -2.711 2.090) 3.749 7.538 ( 6.444 -3.083 0.062) 7.144 7.662 ( 8.322 -4.387 -4.847) 10.583 7.731 ( -3.489 -6.707 8.209) 11.160 7.986 ( 6.653 -2.553 -6.068) 9.359 8.138 ( 9.122 -9.031 -2.143) 13.014 8.320 ( 9.337 -20.362 -0.419) 22.404 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.38 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 12.790 13.973 -0.159) 18.944 1.505 ( 8.788 14.295 -8.368) 18.751 1.662 ( -11.472 11.319 -0.609) 16.128 1.896 ( -9.852 12.903 -6.705) 17.564 1.952 ( 5.573 -1.998 11.136) 12.612 2.142 ( 5.767 0.058 0.369) 5.779 2.165 ( 5.055 2.086 0.366) 5.481 2.220 ( 4.682 -1.051 -0.809) 4.866 2.291 ( 4.835 -2.800 -0.916) 5.662 2.330 ( 3.765 1.084 2.868) 4.856 2.418 ( 8.127 4.974 5.600) 11.052 2.446 ( 1.036 -4.288 -1.180) 4.566 2.514 ( 3.159 -1.577 0.954) 3.658 2.556 ( -0.495 0.510 1.193) 1.389 2.572 ( -0.464 -1.950 -0.664) 2.112 2.578 ( 2.102 0.801 -0.454) 2.295 2.631 ( 7.370 -0.869 1.750) 7.625 2.683 ( 0.251 0.086 -1.665) 1.686 2.731 ( 1.046 0.303 -1.666) 1.990 2.758 ( -0.108 0.289 1.470) 1.502 2.815 ( 0.325 0.611 -0.563) 0.892 2.825 ( 0.359 -2.644 -0.647) 2.746 2.868 ( 2.468 -0.022 -0.971) 2.652 2.877 ( 0.238 1.348 -2.437) 2.795 2.931 ( 0.130 -3.493 -0.546) 3.538 2.937 ( -0.047 -0.613 2.116) 2.203 2.974 ( -1.183 -0.434 0.298) 1.294 3.007 ( 2.753 -0.950 -0.682) 2.991 3.067 ( 0.623 -0.891 -0.634) 1.258 3.119 ( -0.622 1.332 -1.699) 2.246 3.143 ( 1.315 0.415 -0.315) 1.414 3.200 ( 0.674 0.501 0.460) 0.958 3.227 ( -0.558 -0.202 2.536) 2.604 3.314 ( -2.899 1.410 -0.526) 3.266 3.330 ( -8.234 2.662 -2.893) 9.125 3.443 ( -0.287 2.449 2.362) 3.415 3.521 ( 0.367 0.382 0.092) 0.538 3.647 ( -3.358 -2.249 0.939) 4.149 3.694 ( 0.887 1.725 -0.731) 2.073 3.787 ( -1.274 0.084 -0.607) 1.414 4.134 ( -2.709 4.152 -2.584) 5.590 4.408 ( -0.625 2.319 1.555) 2.862 4.464 ( -6.289 2.575 -5.412) 8.688 4.477 ( 0.793 3.522 2.181) 4.218 4.568 ( -1.636 3.237 -1.226) 3.829 4.679 ( 1.293 2.343 -1.112) 2.898 4.716 ( -2.125 2.533 0.158) 3.310 4.823 ( -2.575 4.990 0.601) 5.647 4.851 ( -4.105 -0.927 -4.346) 6.050 4.889 ( -1.475 9.156 -0.269) 9.278 4.999 ( 0.524 -1.460 -0.152) 1.559 5.026 ( -2.036 4.027 -0.100) 4.513 5.104 ( -0.656 -0.310 1.303) 1.492 5.151 ( -1.144 1.147 0.425) 1.675 5.227 ( -2.626 -0.899 -4.152) 4.995 5.254 ( -2.028 0.425 0.625) 2.165 5.480 ( 1.521 -2.567 3.446) 4.558 5.515 ( 1.180 -1.342 3.416) 3.855 5.563 ( -0.330 1.480 1.315) 2.007 5.619 ( 1.523 -0.681 3.318) 3.714 5.640 ( 2.918 -0.392 4.138) 5.078 5.695 ( 0.745 -2.172 1.960) 3.019 5.781 ( -1.159 5.420 -2.009) 5.895 5.886 ( 1.019 0.094 4.207) 4.329 5.900 ( -0.086 5.599 -0.290) 5.607 5.935 ( -0.315 2.170 -0.378) 2.225 5.946 ( 1.135 0.409 1.042) 1.594 6.014 ( -0.381 -0.253 0.659) 0.802 6.106 ( -5.433 4.770 -2.968) 7.815 6.145 ( -0.942 -2.094 -3.909) 4.533 6.174 ( -0.381 -0.771 0.743) 1.137 6.199 ( -1.814 2.712 -0.129) 3.265 6.258 ( 0.380 2.671 1.056) 2.898 6.328 ( -0.004 1.417 2.313) 2.713 6.360 ( 2.751 1.195 1.003) 3.163 6.445 ( 0.577 4.618 -0.259) 4.661 6.472 ( -0.643 6.454 -0.968) 6.557 6.502 ( 0.921 1.895 -2.537) 3.298 6.550 ( -0.363 -0.564 -1.280) 1.445 6.620 ( -0.591 0.257 2.896) 2.967 6.655 ( -2.503 -0.639 -1.839) 3.171 6.700 ( -0.411 3.613 -0.292) 3.648 6.779 ( 0.797 4.788 1.319) 5.030 6.844 ( -4.632 7.595 -6.385) 10.950 6.879 ( -4.367 6.162 -0.644) 7.580 6.927 ( -5.073 0.381 -3.776) 6.336 7.019 ( -4.946 4.393 -3.041) 7.281 7.153 ( -0.412 -8.816 1.928) 9.034 7.263 ( 6.362 0.002 7.798) 10.064 7.482 ( 4.865 -1.924 9.858) 11.160 7.643 ( 6.151 -3.535 2.235) 7.439 7.708 ( 5.316 -1.306 0.243) 5.479 7.820 ( 3.117 -2.562 1.717) 4.384 7.965 ( 1.894 -3.443 -2.961) 4.920 8.218 ( 6.271 -6.604 -3.308) 9.689 8.361 ( 1.729 -17.004 -5.582) 17.980 ======================= Grid point 139 (73/84) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -13.089 13.647 2.229) 19.040 1.553 ( 11.807 11.137 -3.937) 16.701 1.583 ( 11.119 12.678 1.892) 16.968 1.649 ( -12.693 14.188 -5.313) 19.764 2.146 ( 3.129 -3.651 7.578) 8.975 2.189 ( -1.548 -3.780 0.804) 4.163 2.201 ( -0.952 1.990 2.159) 3.087 2.235 ( 1.250 -0.390 0.023) 1.310 2.304 ( 2.336 -1.870 -4.929) 5.766 2.334 ( -4.450 -0.720 -3.827) 5.914 2.425 ( -2.257 1.190 1.034) 2.753 2.486 ( -0.853 -1.765 -0.683) 2.076 2.503 ( -3.726 1.422 2.028) 4.474 2.552 ( 0.864 -3.763 -2.661) 4.689 2.601 ( 2.299 2.248 2.396) 4.010 2.632 ( 0.725 1.083 -0.001) 1.303 2.685 ( 3.097 0.795 1.706) 3.624 2.712 ( 0.648 3.191 -0.249) 3.266 2.740 ( -2.491 -0.336 -1.556) 2.956 2.758 ( -1.241 -0.786 0.276) 1.495 2.799 ( 0.933 -1.205 2.325) 2.780 2.824 ( 0.429 2.032 -0.306) 2.099 2.886 ( 0.354 -3.320 2.677) 4.279 2.922 ( 1.086 -1.250 -0.421) 1.709 2.958 ( -0.486 1.605 2.494) 3.005 2.970 ( 4.036 -0.639 -0.415) 4.107 2.982 ( 2.310 2.280 0.457) 3.277 3.027 ( -3.579 -0.419 -2.459) 4.363 3.042 ( 0.360 2.635 -0.926) 2.816 3.090 ( -2.448 2.241 -2.314) 4.046 3.125 ( 2.433 0.850 0.850) 2.713 3.168 ( -5.623 0.613 -1.923) 5.974 3.192 ( 2.851 0.018 -0.367) 2.874 3.214 ( -3.412 0.280 -1.170) 3.618 3.374 ( 6.457 -2.989 3.864) 8.097 3.452 ( -3.002 -0.938 -2.192) 3.833 3.546 ( 4.169 -2.018 1.567) 4.890 3.594 ( -3.422 -1.536 -1.859) 4.186 3.722 ( 2.395 2.398 0.820) 3.487 3.753 ( -1.677 1.892 -1.529) 2.954 4.156 ( 5.383 3.756 3.256) 7.327 4.275 ( -5.660 2.132 -6.953) 9.215 4.463 ( 2.314 4.052 2.658) 5.370 4.513 ( -1.559 1.267 -1.204) 2.342 4.584 ( 3.739 4.080 4.600) 7.196 4.660 ( -2.280 4.020 -0.666) 4.669 4.678 ( 0.835 0.134 -1.826) 2.012 4.706 ( -4.595 3.638 -5.479) 8.023 4.845 ( 1.708 4.824 1.416) 5.310 4.875 ( -0.965 3.510 -0.863) 3.741 4.989 ( -2.684 1.329 -0.092) 2.996 5.014 ( 4.105 -3.413 -1.167) 5.464 5.109 ( -0.206 -0.518 -0.172) 0.583 5.116 ( -1.926 0.339 -1.829) 2.678 5.217 ( 1.878 -1.026 2.853) 3.567 5.257 ( -0.323 -0.261 0.344) 0.539 5.535 ( 1.035 -1.081 0.991) 1.795 5.547 ( 0.190 1.171 0.755) 1.406 5.621 ( 2.821 -2.866 4.203) 5.816 5.671 ( -0.727 -3.562 0.136) 3.638 5.726 ( 1.521 0.964 2.504) 3.084 5.747 ( 0.989 2.741 0.990) 3.078 5.767 ( 1.209 0.943 3.660) 3.968 5.857 ( -1.047 2.697 -3.233) 4.338 5.936 ( 0.766 2.793 1.435) 3.233 5.950 ( -1.955 2.138 -0.985) 3.060 5.969 ( 0.150 -0.959 0.370) 1.038 5.979 ( -0.197 4.168 -0.276) 4.181 6.050 ( -0.523 1.411 1.575) 2.179 6.089 ( 0.238 0.750 -2.767) 2.877 6.167 ( -1.097 3.452 0.042) 3.622 6.176 ( -0.424 1.986 -0.436) 2.076 6.282 ( 1.105 4.034 0.997) 4.299 6.330 ( -0.408 0.788 -2.369) 2.530 6.419 ( 2.274 2.513 1.579) 3.739 6.433 ( -1.859 6.631 1.316) 7.011 6.482 ( 1.506 3.644 1.536) 4.231 6.508 ( -0.156 -0.947 -1.218) 1.551 6.541 ( 1.882 5.409 1.687) 5.971 6.614 ( -1.138 0.661 -1.303) 1.852 6.631 ( -1.825 3.975 -0.164) 4.378 6.667 ( -4.054 5.529 -3.563) 7.727 6.688 ( -0.896 2.871 -1.585) 3.400 6.725 ( -0.925 4.510 -3.729) 5.925 6.889 ( 1.185 2.973 1.928) 3.737 6.920 ( -0.549 2.914 2.076) 3.620 6.945 ( -0.493 2.635 2.601) 3.735 7.100 ( -1.526 -7.559 -6.340) 9.983 7.464 ( 4.634 -3.689 10.220) 11.812 7.603 ( -1.299 -7.955 4.519) 9.240 7.697 ( 2.069 -8.917 -1.699) 9.311 7.708 ( -3.782 -5.790 -7.305) 10.059 7.943 ( 10.992 3.664 6.537) 13.304 8.016 ( -3.034 -2.706 7.306) 8.360 8.181 ( -4.512 -8.945 -6.537) 11.962 8.263 ( 1.127 -6.144 -8.568) 10.603 ======================= Grid point 140 (74/84) ======================= q-point: (-0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -13.572 15.116 3.038) 20.541 1.425 ( -13.077 16.041 -0.530) 20.703 1.672 ( 9.930 9.946 -1.707) 14.158 1.794 ( 12.353 9.431 3.583) 15.949 2.087 ( -14.879 10.018 2.191) 18.070 2.134 ( -8.203 -1.775 -5.225) 9.886 2.185 ( -3.836 -1.732 -0.303) 4.219 2.220 ( -2.963 -1.761 2.888) 4.496 2.239 ( -0.058 -1.436 -2.196) 2.624 2.355 ( 3.410 -3.952 4.622) 6.972 2.386 ( -4.366 -1.712 -0.053) 4.691 2.482 ( -3.670 1.805 3.235) 5.214 2.507 ( 0.273 -1.074 -0.267) 1.140 2.527 ( -1.427 0.049 1.903) 2.379 2.582 ( -5.003 1.741 -3.048) 6.111 2.630 ( -0.173 -0.670 -2.324) 2.424 2.672 ( -1.577 -0.767 -1.709) 2.449 2.681 ( -3.285 1.880 0.446) 3.811 2.738 ( -3.025 -1.720 -2.263) 4.151 2.770 ( -1.941 1.789 0.389) 2.668 2.792 ( 2.502 -0.247 1.969) 3.193 2.800 ( -1.566 0.385 -0.520) 1.695 2.863 ( -5.254 0.010 -1.092) 5.366 2.890 ( -4.453 0.867 1.664) 4.832 2.926 ( -1.696 -2.212 -2.422) 3.693 2.942 ( -1.374 -2.055 1.050) 2.686 2.990 ( -0.188 0.577 -1.728) 1.831 3.024 ( -0.356 -0.431 -0.274) 0.623 3.049 ( 0.889 1.378 1.973) 2.566 3.067 ( -1.333 -1.758 0.171) 2.213 3.128 ( 1.811 1.296 1.001) 2.442 3.206 ( 4.014 0.158 -0.476) 4.045 3.233 ( 6.168 2.398 3.409) 7.444 3.291 ( 4.900 1.243 -0.313) 5.065 3.350 ( -0.319 -2.321 -3.900) 4.550 3.485 ( 2.043 1.677 -0.638) 2.719 3.511 ( -1.296 -3.078 -0.389) 3.363 3.646 ( 5.241 -1.490 1.172) 5.574 3.710 ( -0.722 2.443 -1.638) 3.029 3.772 ( 2.507 0.986 0.761) 2.800 4.152 ( -0.310 3.818 -4.203) 5.687 4.323 ( 8.843 1.803 5.079) 10.356 4.462 ( -0.667 2.168 -2.094) 3.087 4.524 ( 1.839 3.455 1.521) 4.199 4.565 ( -4.551 4.763 -3.421) 7.423 4.646 ( 0.216 2.770 1.112) 2.992 4.704 ( 2.216 -1.412 0.998) 2.811 4.740 ( 6.363 5.753 3.972) 9.453 4.857 ( 2.094 3.554 -1.406) 4.358 4.886 ( 1.333 5.841 0.434) 6.007 4.972 ( 0.543 -2.828 1.810) 3.401 5.027 ( 1.156 1.076 -2.132) 2.653 5.129 ( 2.741 -0.578 0.897) 2.942 5.137 ( 3.402 -0.034 1.422) 3.688 5.219 ( -1.665 -0.367 -3.105) 3.542 5.265 ( 1.093 -0.393 0.408) 1.231 5.531 ( -0.844 -0.271 -0.911) 1.271 5.553 ( 0.234 1.376 -0.447) 1.466 5.604 ( -3.828 -2.130 -3.087) 5.359 5.678 ( 0.324 -2.639 -0.005) 2.659 5.731 ( -0.872 -0.583 -1.330) 1.694 5.748 ( -1.394 4.068 -1.980) 4.735 5.779 ( -2.229 0.515 -3.568) 4.238 5.848 ( 2.695 2.482 2.824) 4.626 5.932 ( -0.888 1.541 -0.167) 1.786 5.958 ( 0.237 0.086 -0.080) 0.265 5.979 ( -0.428 2.277 -0.518) 2.374 5.998 ( 3.476 0.782 1.298) 3.792 6.052 ( -0.012 1.573 1.286) 2.032 6.102 ( 3.403 1.036 -0.504) 3.592 6.165 ( 0.517 2.521 1.534) 2.996 6.186 ( 1.008 3.333 0.691) 3.550 6.274 ( -1.668 3.081 -1.306) 3.739 6.324 ( 1.107 1.291 1.132) 2.043 6.391 ( -2.659 4.024 -0.819) 4.892 6.456 ( -2.848 2.189 -1.097) 3.756 6.483 ( 2.672 4.251 -0.368) 5.035 6.509 ( -0.557 1.454 -1.355) 2.064 6.533 ( -1.859 6.097 -2.100) 6.711 6.611 ( 0.575 0.331 1.820) 1.938 6.651 ( 3.599 3.910 4.702) 7.096 6.682 ( 2.807 5.064 3.813) 6.933 6.701 ( 1.201 2.276 -2.081) 3.310 6.713 ( 2.819 4.881 4.407) 7.155 6.887 ( -0.597 2.367 -0.552) 2.503 6.959 ( 4.303 4.465 2.274) 6.605 6.999 ( 1.718 0.882 -7.397) 7.644 7.069 ( 3.117 -5.203 7.448) 9.605 7.484 ( -6.584 -3.338 -11.303) 13.500 7.605 ( -4.693 -7.222 2.823) 9.064 7.637 ( -0.590 -6.946 6.510) 9.538 7.674 ( -1.593 -6.454 -0.769) 6.692 7.862 ( -12.103 -1.300 -11.152) 16.509 8.108 ( 0.464 -3.028 0.646) 3.130 8.111 ( -4.501 -4.728 1.391) 6.674 8.216 ( 2.344 -8.247 2.966) 9.073 ======================= Grid point 141 (75/84) ======================= q-point: (-0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -11.778 18.399 1.155) 21.876 1.270 ( -15.688 13.850 7.091) 22.095 1.768 ( 3.349 7.142 1.312) 7.996 1.911 ( -5.853 0.329 -0.782) 5.914 1.933 ( -12.551 14.695 6.026) 20.243 2.024 ( 7.760 10.246 -1.854) 12.986 2.113 ( -5.468 -1.839 -2.052) 6.123 2.183 ( -3.437 -1.437 -5.230) 6.421 2.207 ( -4.460 -1.019 2.141) 5.051 2.298 ( -7.005 1.113 -4.531) 8.417 2.379 ( -7.186 -1.207 -2.561) 7.724 2.399 ( -4.779 -3.954 0.793) 6.253 2.414 ( -3.544 4.925 -3.048) 6.790 2.521 ( -3.874 -1.034 -0.630) 4.059 2.563 ( -1.791 -2.434 1.867) 3.552 2.568 ( -0.977 0.922 0.104) 1.347 2.607 ( 0.345 -1.429 1.358) 2.001 2.685 ( 1.372 -1.193 0.786) 1.981 2.703 ( -0.977 0.077 0.347) 1.040 2.758 ( -1.720 0.587 -0.854) 2.008 2.797 ( -3.318 -1.407 0.410) 3.628 2.819 ( -0.724 -1.105 1.284) 1.842 2.826 ( 0.829 1.301 1.013) 1.846 2.847 ( -0.639 -0.461 1.686) 1.861 2.912 ( -0.666 -1.596 0.431) 1.782 2.948 ( -1.720 -0.475 0.768) 1.943 2.956 ( -3.736 -3.142 -0.809) 4.948 2.997 ( 2.253 -3.007 -0.430) 3.782 3.063 ( 1.569 0.144 2.424) 2.891 3.102 ( -1.592 0.981 -0.731) 2.008 3.131 ( -0.321 0.156 -0.699) 0.785 3.209 ( 1.171 0.189 -0.901) 1.490 3.267 ( 1.400 0.528 -2.470) 2.888 3.342 ( 0.884 2.666 -1.818) 3.346 3.412 ( 6.655 0.328 4.243) 7.900 3.478 ( 1.618 2.668 -2.195) 3.815 3.529 ( 1.454 0.548 -0.230) 1.571 3.685 ( 0.683 1.533 0.727) 1.828 3.718 ( 3.969 -1.363 -2.073) 4.681 3.806 ( 1.796 -1.001 -0.021) 2.056 4.173 ( 5.290 4.173 1.289) 6.860 4.430 ( 1.781 1.480 0.635) 2.401 4.468 ( -2.163 3.131 -1.911) 4.258 4.528 ( 5.393 2.897 2.429) 6.586 4.583 ( 3.750 3.824 2.469) 5.897 4.661 ( 0.286 1.971 0.310) 2.015 4.725 ( -0.212 0.924 1.275) 1.589 4.841 ( 1.893 3.329 1.667) 4.177 4.892 ( 2.728 5.109 -0.950) 5.869 4.938 ( 7.013 7.248 2.262) 10.336 5.006 ( 0.184 0.838 -1.430) 1.668 5.060 ( 3.696 1.508 1.448) 4.247 5.122 ( -0.301 0.233 -2.248) 2.280 5.170 ( 0.435 1.919 -1.277) 2.346 5.237 ( 4.249 -0.155 4.089) 5.899 5.294 ( 3.160 0.479 -0.085) 3.197 5.499 ( 0.614 -1.249 -2.135) 2.549 5.528 ( -1.510 -1.823 -2.575) 3.498 5.571 ( 1.157 2.344 0.737) 2.716 5.625 ( -2.796 0.146 -3.583) 4.547 5.641 ( -2.233 0.020 -4.034) 4.611 5.696 ( -1.464 -2.503 -1.704) 3.363 5.782 ( 1.584 5.658 1.731) 6.125 5.895 ( -0.853 4.072 -0.874) 4.251 5.908 ( -0.065 0.293 -1.409) 1.440 5.936 ( -1.069 0.656 -1.273) 1.786 5.944 ( 0.479 2.756 -0.261) 2.809 6.043 ( 2.114 -1.111 -1.322) 2.729 6.116 ( 1.023 -2.715 4.341) 5.222 6.157 ( 3.414 3.015 0.859) 4.635 6.192 ( 1.387 0.740 -0.375) 1.617 6.220 ( 1.812 -0.511 0.655) 1.993 6.259 ( 0.509 3.689 0.766) 3.802 6.335 ( -2.486 1.353 -1.422) 3.167 6.342 ( 0.052 0.942 -0.169) 0.959 6.419 ( -2.542 3.139 0.179) 4.043 6.463 ( -0.251 7.896 0.378) 7.909 6.487 ( -0.301 3.620 0.278) 3.643 6.548 ( 0.715 -1.400 0.564) 1.671 6.642 ( 0.642 -3.303 0.000) 3.365 6.683 ( 0.659 1.008 -0.934) 1.524 6.710 ( 2.598 3.265 0.537) 4.207 6.785 ( 0.080 5.226 -1.192) 5.360 6.831 ( 2.418 8.762 6.751) 11.322 6.942 ( 5.145 -1.470 6.336) 8.293 6.991 ( 7.397 7.678 -3.673) 11.276 7.072 ( 6.755 4.817 3.097) 8.855 7.162 ( 0.075 -9.715 0.620) 9.735 7.257 ( -3.935 4.160 -8.625) 10.353 7.471 ( -10.951 0.197 -9.393) 14.429 7.569 ( -10.099 -1.117 2.627) 10.495 7.588 ( -4.126 -4.395 -3.871) 7.164 7.765 ( -0.789 -5.439 6.102) 8.212 7.999 ( -0.403 -4.797 -8.694) 9.937 8.078 ( -8.252 -5.634 3.470) 10.577 8.273 ( -4.627 -17.585 3.822) 18.581 ======================= Grid point 142 (76/84) ======================= q-point: (-0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -9.900 17.155 5.471) 20.548 1.201 ( -12.234 9.599 13.410) 20.534 1.676 ( -7.516 -5.748 -9.190) 13.191 1.880 ( -1.046 6.834 6.089) 9.212 1.958 ( -2.091 10.719 -1.788) 11.067 1.971 ( -3.297 5.640 -6.147) 8.970 1.985 ( -6.315 -4.215 -5.045) 9.116 2.049 ( -6.873 -1.455 -4.555) 8.373 2.098 ( -1.175 2.690 -1.087) 3.130 2.187 ( -0.136 3.416 -0.849) 3.522 2.290 ( -5.386 0.354 0.655) 5.437 2.365 ( -1.753 0.779 -0.971) 2.150 2.380 ( -2.232 3.130 -0.906) 3.950 2.485 ( -1.392 1.875 2.213) 3.217 2.517 ( -1.626 0.001 -0.758) 1.794 2.602 ( 1.254 -0.197 2.382) 2.699 2.646 ( -1.220 -1.419 2.462) 3.093 2.682 ( -0.022 0.669 0.098) 0.677 2.726 ( 1.795 4.073 -0.482) 4.477 2.735 ( 0.100 0.535 0.002) 0.544 2.784 ( -1.014 -0.121 1.700) 1.983 2.811 ( -0.407 0.670 -1.208) 1.439 2.841 ( 1.367 -1.798 -1.054) 2.492 2.853 ( -1.266 -1.872 0.636) 2.348 2.896 ( -1.519 -1.899 0.810) 2.563 2.930 ( -1.355 -0.204 1.454) 1.998 2.944 ( -1.765 1.643 2.641) 3.577 3.004 ( 1.132 0.015 -2.093) 2.380 3.048 ( -2.048 1.516 -1.435) 2.924 3.095 ( -0.451 2.486 1.191) 2.793 3.193 ( -0.745 1.691 -2.644) 3.226 3.204 ( 4.105 -2.890 4.951) 7.051 3.264 ( 2.753 -0.297 -0.630) 2.840 3.334 ( -0.604 1.330 -1.295) 1.952 3.422 ( 0.054 3.680 -4.279) 5.644 3.522 ( 3.456 -1.167 0.915) 3.760 3.577 ( 2.255 -0.781 2.360) 3.356 3.707 ( 1.407 -1.385 -2.677) 3.326 3.731 ( 1.061 0.345 0.846) 1.400 3.825 ( 1.137 -3.228 -0.398) 3.445 4.292 ( 5.729 4.328 3.950) 8.194 4.417 ( -0.134 4.166 -1.009) 4.288 4.493 ( 1.217 1.615 2.813) 3.465 4.576 ( 2.003 1.440 0.232) 2.478 4.627 ( -0.458 2.573 1.153) 2.857 4.683 ( 0.803 6.282 -1.380) 6.482 4.776 ( 0.786 4.203 2.970) 5.206 4.831 ( -0.667 4.812 -2.647) 5.532 4.934 ( 3.349 4.429 1.879) 5.861 4.975 ( 0.283 3.489 -1.422) 3.778 5.066 ( 2.020 -2.211 0.319) 3.012 5.088 ( 1.297 1.002 1.647) 2.323 5.126 ( 3.714 0.992 0.467) 3.873 5.196 ( 1.987 1.283 0.879) 2.523 5.278 ( -1.914 -1.419 -1.282) 2.705 5.320 ( 1.801 -0.559 -1.317) 2.300 5.531 ( 0.866 1.613 -1.789) 2.560 5.534 ( -2.375 0.431 -1.664) 2.931 5.559 ( 5.800 -0.828 2.326) 6.303 5.582 ( 4.687 -0.916 1.255) 4.938 5.633 ( 1.571 -0.404 -0.916) 1.863 5.674 ( -0.393 -2.894 1.357) 3.221 5.833 ( 0.317 7.414 0.894) 7.475 5.860 ( 1.228 1.116 0.160) 1.667 5.895 ( 0.574 0.754 -0.783) 1.230 5.914 ( 0.293 3.055 0.022) 3.069 5.980 ( 1.155 3.593 1.965) 4.255 6.050 ( 2.048 0.536 -1.147) 2.407 6.129 ( -1.903 0.686 -1.129) 2.317 6.194 ( 0.003 -0.319 0.638) 0.713 6.206 ( -1.922 -0.300 -1.844) 2.680 6.235 ( 2.918 -0.664 1.061) 3.175 6.279 ( 1.874 3.640 -0.506) 4.125 6.314 ( 0.775 1.952 1.211) 2.425 6.332 ( -0.935 -1.599 -1.271) 2.246 6.388 ( -2.395 1.840 0.566) 3.072 6.498 ( 1.641 6.318 1.960) 6.815 6.511 ( -0.270 3.678 3.240) 4.909 6.563 ( 0.414 -0.923 0.779) 1.277 6.599 ( -0.839 -2.960 -3.699) 4.812 6.688 ( -0.947 2.855 1.245) 3.256 6.730 ( -0.915 3.255 -2.846) 4.419 6.743 ( -1.037 3.980 -2.445) 4.785 6.824 ( -5.394 9.039 -1.442) 10.625 6.947 ( -7.457 3.488 -5.489) 9.894 7.064 ( -4.108 4.555 -9.089) 10.966 7.114 ( 7.507 -4.053 4.770) 9.774 7.222 ( 10.602 8.772 0.788) 13.783 7.259 ( 3.900 10.344 2.535) 11.342 7.316 ( 1.185 -3.563 2.792) 4.679 7.488 ( -4.125 -7.421 -0.376) 8.499 7.535 ( -0.580 -5.528 0.277) 5.566 7.801 ( -2.852 -4.366 3.525) 6.295 7.918 ( 2.189 -5.132 -6.174) 8.322 7.993 ( -7.974 -9.182 2.422) 12.400 8.181 ( -10.119 -20.427 -0.785) 22.809 ======================= Grid point 143 (77/84) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -0.132 7.367 5.262) 9.054 1.389 ( -0.869 -4.057 -4.115) 5.843 1.470 ( -0.063 9.899 4.904) 11.047 1.639 ( -0.305 -6.166 -8.704) 10.671 1.813 ( -0.808 -2.423 -3.077) 3.999 1.822 ( -2.694 -3.056 -3.646) 5.467 1.947 ( -0.050 -2.818 -3.243) 4.297 1.967 ( -0.484 -4.207 -4.399) 6.107 2.146 ( 0.864 4.389 1.827) 4.832 2.183 ( -0.839 0.295 -1.231) 1.518 2.334 ( -1.774 1.544 0.423) 2.389 2.348 ( -0.658 0.305 -0.656) 0.979 2.528 ( -2.324 1.902 1.577) 3.392 2.544 ( 1.866 1.186 1.058) 2.451 2.642 ( 0.060 7.068 4.073) 8.158 2.678 ( -0.036 4.106 1.043) 4.237 2.705 ( 1.897 1.480 1.649) 2.917 2.719 ( -0.081 0.314 0.963) 1.016 2.771 ( -0.414 1.919 -1.464) 2.449 2.777 ( 0.293 1.933 0.103) 1.958 2.795 ( 1.060 -0.821 1.408) 1.944 2.804 ( 1.351 0.271 0.464) 1.454 2.827 ( 1.886 -1.581 2.187) 3.292 2.849 ( 0.966 -2.207 1.174) 2.680 2.889 ( 0.640 0.851 1.881) 2.161 2.908 ( -0.812 -0.238 1.459) 1.687 2.989 ( -0.814 1.883 -0.828) 2.212 3.009 ( -1.662 -0.486 -1.167) 2.088 3.088 ( 1.030 5.012 1.984) 5.488 3.146 ( 0.058 1.293 -1.314) 1.844 3.248 ( 0.682 4.038 1.708) 4.437 3.260 ( 1.366 0.062 4.276) 4.489 3.301 ( -0.120 -1.152 -1.296) 1.739 3.310 ( 2.497 -1.751 1.742) 3.512 3.426 ( -1.268 2.003 -2.846) 3.704 3.473 ( -2.882 -2.704 -4.464) 5.962 3.576 ( 0.331 -0.904 0.754) 1.223 3.620 ( -0.708 -3.979 -3.194) 5.151 3.753 ( 0.576 0.184 0.427) 0.740 3.764 ( 0.064 -1.019 -0.577) 1.172 4.484 ( 0.458 3.745 1.433) 4.036 4.491 ( -0.056 3.480 1.093) 3.648 4.555 ( 0.509 0.228 2.379) 2.443 4.588 ( 2.510 -2.036 -0.320) 3.247 4.733 ( -0.117 3.793 4.192) 5.655 4.767 ( 0.282 1.122 2.469) 2.726 4.857 ( -2.049 6.261 -1.042) 6.670 4.887 ( -1.951 3.815 -3.822) 5.742 4.989 ( -1.245 -0.253 0.310) 1.307 5.007 ( -0.086 -0.317 -0.928) 0.985 5.049 ( 4.265 -3.165 -0.175) 5.314 5.061 ( -2.776 -1.625 -0.266) 3.227 5.163 ( -0.260 -0.588 0.043) 0.645 5.186 ( 0.067 -0.768 -0.045) 0.772 5.230 ( 0.307 -0.584 -2.003) 2.109 5.237 ( -1.225 -2.717 -2.949) 4.193 5.504 ( -1.015 2.485 0.304) 2.701 5.532 ( -0.567 2.446 -2.175) 3.322 5.570 ( 0.112 -3.525 1.047) 3.679 5.599 ( -0.357 -3.715 -1.166) 3.910 5.665 ( 3.388 -0.241 0.377) 3.417 5.670 ( 2.073 -0.811 0.072) 2.228 5.836 ( -0.134 0.251 -0.839) 0.886 5.850 ( -0.772 -1.304 -1.813) 2.363 6.037 ( -0.044 3.610 2.319) 4.291 6.044 ( 2.263 3.063 1.423) 4.066 6.074 ( 0.110 1.147 1.889) 2.213 6.089 ( -0.634 0.387 0.422) 0.854 6.139 ( 0.346 -0.649 1.320) 1.511 6.146 ( -0.170 -0.781 0.352) 0.873 6.230 ( -0.244 4.570 0.600) 4.616 6.260 ( -1.030 4.921 -2.419) 5.579 6.299 ( 0.530 -1.946 1.333) 2.418 6.327 ( -0.425 -2.172 -1.941) 2.944 6.410 ( 2.930 3.688 1.503) 4.944 6.433 ( 1.409 3.780 2.725) 4.869 6.477 ( -1.127 -2.211 -1.622) 2.965 6.500 ( 0.101 -2.049 -0.647) 2.151 6.664 ( -0.688 2.156 0.288) 2.282 6.688 ( -0.701 0.788 -1.609) 1.924 6.707 ( 2.214 6.483 1.132) 6.944 6.759 ( -2.789 4.018 -2.155) 5.345 6.813 ( 1.121 5.227 1.424) 5.532 6.848 ( -2.187 3.114 -1.338) 4.034 6.954 ( 0.860 4.566 2.502) 5.277 7.024 ( -3.486 3.795 -2.317) 5.650 7.133 ( -0.672 -9.814 2.583) 10.171 7.173 ( -1.059 -5.253 -0.543) 5.386 7.325 ( 3.184 1.879 1.850) 4.134 7.368 ( -3.959 2.429 -1.890) 5.015 7.482 ( -5.528 -9.133 3.672) 11.289 7.536 ( 4.650 3.245 -0.298) 5.679 7.624 ( -9.410 -7.769 2.820) 12.524 7.719 ( 1.467 -4.858 -2.677) 5.737 7.807 ( 2.099 0.137 -0.968) 2.316 7.907 ( 10.430 -6.331 -6.722) 13.930 ======================= Grid point 144 (78/84) ======================= q-point: ( 0.12 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 11.330 6.086 -2.179) 13.044 1.452 ( 13.018 2.328 3.131) 13.590 1.562 ( 5.094 1.381 -6.301) 8.220 1.603 ( 7.391 -1.166 7.163) 10.358 1.849 ( 7.202 -1.910 2.009) 7.717 1.881 ( 9.996 -4.275 3.331) 11.371 1.944 ( 1.993 -3.429 0.493) 3.997 1.955 ( 2.157 -3.915 1.647) 4.764 2.154 ( -0.518 4.442 -1.132) 4.614 2.204 ( 3.150 0.457 1.041) 3.349 2.347 ( 1.066 1.804 1.758) 2.735 2.367 ( 3.285 -0.359 0.834) 3.408 2.499 ( -3.762 3.889 0.811) 5.471 2.548 ( -1.631 -1.053 -0.093) 1.943 2.638 ( -1.340 2.139 -0.628) 2.601 2.661 ( -4.614 1.404 -1.745) 5.128 2.718 ( 1.484 3.731 -0.898) 4.115 2.740 ( -2.861 1.607 -1.297) 3.529 2.750 ( 1.085 2.955 0.121) 3.151 2.778 ( -0.439 0.680 -1.004) 1.290 2.791 ( 0.212 0.706 0.043) 0.739 2.807 ( 0.690 1.060 -0.251) 1.289 2.831 ( 0.346 -1.133 -3.441) 3.639 2.878 ( 1.981 -2.637 -1.131) 3.487 2.911 ( 1.193 2.081 -1.585) 2.875 2.937 ( 2.139 -0.487 0.314) 2.216 2.988 ( 0.566 1.841 0.862) 2.111 3.007 ( 1.239 -0.066 2.990) 3.237 3.094 ( -1.704 4.563 -3.160) 5.806 3.131 ( 0.159 2.500 1.749) 3.055 3.245 ( -1.472 0.598 -1.105) 1.936 3.274 ( -3.241 -1.421 -4.482) 5.710 3.287 ( -0.214 0.261 0.629) 0.714 3.299 ( -1.908 0.071 -1.844) 2.654 3.415 ( 0.945 2.883 2.468) 3.911 3.467 ( 1.943 -1.952 3.929) 4.798 3.565 ( -2.559 -2.065 -0.943) 3.420 3.592 ( -0.892 -3.610 1.945) 4.196 3.753 ( -0.076 0.344 -0.694) 0.778 3.764 ( 0.364 -1.089 -0.142) 1.156 4.478 ( -2.407 4.188 -1.732) 5.132 4.494 ( -0.806 4.695 -0.233) 4.770 4.540 ( -3.889 -1.393 -0.248) 4.138 4.563 ( -1.505 -1.524 -2.218) 3.084 4.754 ( -1.598 4.076 0.757) 4.443 4.769 ( -0.548 2.542 -1.856) 3.195 4.849 ( -0.267 4.881 3.346) 5.924 4.877 ( -0.424 1.542 0.529) 1.684 4.967 ( -5.135 -0.969 -0.523) 5.252 5.003 ( 2.180 1.360 2.874) 3.855 5.018 ( -0.176 -0.190 -1.493) 1.515 5.107 ( 2.642 -3.491 -0.923) 4.474 5.156 ( -0.763 -0.861 0.824) 1.415 5.171 ( -2.202 -0.634 -0.397) 2.326 5.200 ( -1.526 -0.434 1.451) 2.150 5.219 ( -0.641 -3.345 1.250) 3.628 5.509 ( -0.488 1.684 1.164) 2.105 5.515 ( -0.333 2.798 1.530) 3.207 5.566 ( -0.550 -1.971 -0.460) 2.098 5.608 ( 1.163 -4.160 0.396) 4.338 5.622 ( -4.669 -0.193 -2.919) 5.510 5.641 ( -4.375 -1.838 -3.439) 5.860 5.828 ( -0.236 0.612 0.464) 0.804 5.849 ( 0.722 -1.453 0.909) 1.860 6.016 ( -2.878 3.665 -1.020) 4.771 6.043 ( -2.174 2.638 -2.061) 3.992 6.090 ( -0.367 1.722 -0.710) 1.898 6.095 ( 0.240 2.930 0.464) 2.977 6.136 ( -0.499 -0.581 -0.627) 0.990 6.148 ( -0.021 -2.538 0.194) 2.546 6.222 ( -1.712 5.303 0.621) 5.607 6.253 ( 0.582 3.499 0.662) 3.608 6.297 ( -0.819 -1.411 -0.348) 1.669 6.307 ( -1.714 -1.525 0.769) 2.420 6.399 ( -0.686 4.533 -1.797) 4.924 6.449 ( -0.153 2.947 -2.622) 3.948 6.485 ( 1.610 -2.318 0.564) 2.878 6.509 ( 1.441 -2.350 -0.079) 2.758 6.664 ( -0.528 3.309 0.633) 3.410 6.677 ( -0.886 4.052 2.175) 4.683 6.683 ( -1.125 1.923 -1.352) 2.606 6.767 ( 0.548 1.129 1.042) 1.631 6.809 ( -0.788 4.602 -0.197) 4.673 6.875 ( 3.547 1.324 2.043) 4.302 6.927 ( -4.186 4.047 -1.042) 5.915 7.012 ( -2.856 -1.443 2.290) 3.935 7.126 ( -3.028 -7.617 0.389) 8.206 7.173 ( 1.323 -2.639 4.146) 5.089 7.318 ( 1.683 6.681 -2.314) 7.268 7.416 ( 0.105 5.897 3.171) 6.697 7.452 ( -0.693 0.637 1.077) 1.430 7.571 ( -1.757 0.897 4.546) 4.956 7.631 ( 3.517 -8.710 -0.799) 9.427 7.736 ( 4.938 -14.434 1.854) 15.367 7.866 ( 10.762 1.323 -4.284) 11.659 7.963 ( 10.391 -6.913 -7.426) 14.523 ======================= Grid point 145 (79/84) ======================= q-point: ( 0.25 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 7.517 14.942 -1.032) 16.758 1.617 ( 16.056 5.142 -6.323) 18.006 1.656 ( 9.676 -1.762 3.527) 10.449 1.846 ( 12.076 -13.171 3.821) 18.273 1.971 ( 4.548 0.758 4.075) 6.154 2.007 ( 1.161 -0.658 4.181) 4.389 2.100 ( 5.338 4.996 2.455) 7.713 2.141 ( 12.189 0.094 4.221) 12.899 2.151 ( 10.734 0.444 6.764) 12.695 2.234 ( -0.752 -3.162 0.233) 3.259 2.376 ( 0.368 2.981 0.186) 3.009 2.413 ( -1.848 -0.908 -1.677) 2.656 2.474 ( 2.848 2.495 0.436) 3.811 2.502 ( -2.915 1.449 -0.635) 3.317 2.577 ( -2.218 2.955 -1.889) 4.149 2.616 ( -0.256 -2.063 -1.742) 2.712 2.640 ( -4.301 2.155 -1.855) 5.156 2.705 ( -2.423 -3.239 -1.926) 4.480 2.734 ( 0.481 1.392 -1.632) 2.198 2.757 ( 0.458 -0.832 -0.612) 1.130 2.795 ( 1.241 2.383 -3.225) 4.198 2.831 ( 2.755 0.740 0.900) 2.992 2.838 ( 2.435 -0.704 -0.882) 2.684 2.858 ( 1.726 -3.036 -2.054) 4.052 2.916 ( 1.750 2.349 -1.914) 3.499 2.960 ( 2.134 -1.351 -1.028) 2.727 3.006 ( -2.149 2.713 -1.056) 3.619 3.013 ( 0.165 1.463 -1.945) 2.440 3.076 ( 0.699 1.247 1.414) 2.010 3.115 ( -1.496 -2.273 -1.280) 3.007 3.187 ( -0.594 3.603 -1.400) 3.911 3.225 ( -1.079 0.279 -1.031) 1.518 3.243 ( -1.433 2.143 0.625) 2.653 3.313 ( -1.159 -3.736 1.778) 4.297 3.466 ( -0.049 3.366 1.057) 3.528 3.497 ( -1.956 5.014 2.227) 5.825 3.531 ( -1.511 -2.640 -0.508) 3.084 3.600 ( -2.229 -4.543 2.562) 5.672 3.741 ( -0.580 1.215 -0.713) 1.523 3.767 ( 0.364 -1.704 0.008) 1.742 4.362 ( -5.299 6.129 -4.986) 9.514 4.441 ( -4.485 -0.791 -1.310) 4.739 4.510 ( 0.510 1.849 -0.272) 1.937 4.552 ( -0.365 -1.526 0.472) 1.639 4.717 ( -1.048 3.625 -1.959) 4.252 4.727 ( -4.733 2.102 -2.775) 5.875 4.802 ( -3.260 0.320 -3.513) 4.803 4.850 ( -3.350 -3.937 -0.909) 5.249 4.935 ( -0.337 5.804 3.076) 6.578 5.012 ( -0.033 0.095 1.767) 1.770 5.071 ( -2.170 1.940 -1.196) 3.147 5.108 ( 2.304 1.701 2.411) 3.743 5.118 ( -5.245 4.018 -0.833) 6.660 5.188 ( -0.705 0.530 1.002) 1.335 5.221 ( -0.284 -4.169 3.630) 5.535 5.253 ( 2.710 -3.200 2.687) 4.980 5.477 ( -6.192 -0.934 -3.059) 6.969 5.485 ( -6.890 -1.190 -3.987) 8.049 5.529 ( -0.185 1.359 3.218) 3.499 5.562 ( -0.554 -0.273 4.002) 4.050 5.582 ( 0.892 0.293 1.147) 1.482 5.630 ( 1.144 -3.636 -0.529) 3.848 5.839 ( -0.173 0.963 1.929) 2.163 5.867 ( 0.119 -1.651 0.700) 1.797 5.964 ( -2.166 4.378 -0.751) 4.942 5.997 ( -1.533 2.783 -0.171) 3.182 6.047 ( -1.287 3.330 -2.017) 4.101 6.085 ( -0.704 5.875 -1.222) 6.042 6.129 ( 0.497 -3.172 -1.689) 3.627 6.159 ( -0.787 -1.378 0.395) 1.635 6.191 ( -2.258 -0.320 -2.524) 3.401 6.205 ( -0.945 -1.387 -0.197) 1.690 6.318 ( 0.545 1.262 2.982) 3.283 6.328 ( -0.673 1.895 2.305) 3.058 6.384 ( 0.246 5.514 -0.761) 5.572 6.439 ( 2.143 -0.215 -0.529) 2.217 6.505 ( 0.776 -1.932 0.855) 2.251 6.527 ( 0.910 -3.041 -0.025) 3.174 6.618 ( -1.592 5.688 -1.863) 6.193 6.644 ( -1.223 4.122 -2.297) 4.874 6.717 ( -1.041 0.486 0.482) 1.246 6.764 ( -0.995 0.162 0.123) 1.016 6.819 ( 0.123 5.294 2.346) 5.792 6.864 ( -2.441 -3.899 -0.836) 4.676 6.939 ( -2.076 -5.854 3.467) 7.113 6.991 ( -0.763 -7.100 1.782) 7.359 7.086 ( -2.453 5.545 0.558) 6.089 7.227 ( -3.993 -4.816 -1.046) 6.343 7.334 ( 1.980 9.665 0.579) 9.883 7.360 ( -1.428 8.563 -1.637) 8.834 7.542 ( 4.182 3.010 2.008) 5.530 7.631 ( -0.709 -4.375 5.627) 7.163 7.676 ( 7.708 5.092 0.709) 9.265 7.885 ( 8.769 -17.116 3.168) 19.491 7.947 ( 9.424 -0.477 -6.791) 11.625 8.028 ( 11.170 -8.876 -4.162) 14.862 ======================= Grid point 146 (80/84) ======================= q-point: ( 0.38 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 8.787 12.537 -0.890) 15.335 1.719 ( 7.698 9.147 -3.665) 12.505 1.801 ( 3.409 0.216 1.464) 3.716 1.963 ( 0.937 -9.431 -1.155) 9.548 1.993 ( -3.189 9.146 4.317) 10.604 2.112 ( -0.163 0.481 -1.767) 1.839 2.140 ( 6.028 -0.789 4.208) 7.394 2.211 ( 2.103 -2.865 -0.831) 3.650 2.245 ( -5.538 -1.767 -3.054) 6.566 2.293 ( 0.131 -4.477 -3.409) 5.629 2.434 ( 4.369 1.730 1.881) 5.062 2.456 ( 4.977 -1.328 2.280) 5.633 2.511 ( 2.302 2.558 3.625) 4.999 2.545 ( 2.410 -0.987 2.502) 3.611 2.584 ( 2.235 1.524 2.406) 3.621 2.589 ( 1.493 0.135 -0.415) 1.556 2.612 ( 4.728 -0.697 0.242) 4.786 2.641 ( -0.562 -2.641 -1.603) 3.140 2.755 ( 2.703 1.812 1.431) 3.555 2.770 ( 0.466 0.747 0.683) 1.114 2.801 ( 3.673 0.245 -0.124) 3.683 2.833 ( -0.212 -0.503 -2.696) 2.751 2.854 ( 0.438 -0.945 -2.083) 2.329 2.864 ( 1.156 -0.925 -0.683) 1.631 2.923 ( 1.913 2.151 0.054) 2.879 2.959 ( 0.611 -0.512 -0.468) 0.924 2.988 ( 2.165 2.586 0.475) 3.406 3.014 ( 3.725 0.907 -0.307) 3.846 3.080 ( -1.020 1.427 -0.229) 1.769 3.117 ( 0.133 -1.687 0.413) 1.742 3.174 ( 1.201 2.089 -1.895) 3.066 3.198 ( -0.816 -0.645 -0.775) 1.297 3.241 ( -2.224 2.067 1.522) 3.397 3.292 ( -3.888 -2.403 0.188) 4.574 3.412 ( -4.381 4.239 -3.173) 6.872 3.485 ( -2.289 -3.368 -2.705) 4.889 3.513 ( -1.434 4.561 2.559) 5.423 3.593 ( -3.101 -3.608 1.784) 5.081 3.734 ( 0.832 2.183 0.049) 2.337 3.770 ( 0.283 -1.607 -0.039) 1.632 4.252 ( -2.240 7.665 -2.795) 8.461 4.377 ( -1.769 -4.685 -2.211) 5.475 4.512 ( -4.313 1.227 -2.702) 5.236 4.518 ( -0.594 0.852 0.179) 1.054 4.616 ( -2.703 2.819 -0.425) 3.929 4.682 ( -2.490 -3.405 -1.214) 4.390 4.752 ( 1.949 3.937 -1.033) 4.513 4.833 ( 1.942 -3.716 -1.136) 4.343 4.920 ( -4.011 6.006 -1.266) 7.332 4.985 ( -4.305 0.645 -4.039) 5.938 5.033 ( -2.195 4.730 -0.626) 5.252 5.074 ( -0.103 -0.191 3.375) 3.382 5.131 ( -2.811 2.353 0.199) 3.671 5.171 ( -2.299 0.600 -0.347) 2.401 5.196 ( -4.374 -1.185 -3.365) 5.645 5.236 ( -1.959 -2.408 -0.669) 3.176 5.447 ( 1.853 -0.016 3.738) 4.173 5.476 ( 2.569 -2.449 4.076) 5.404 5.574 ( -1.091 0.630 3.588) 3.803 5.600 ( -0.654 -1.521 3.436) 3.814 5.639 ( 2.797 0.225 3.453) 4.449 5.652 ( 2.820 -1.403 1.781) 3.618 5.859 ( -0.957 2.238 -0.622) 2.513 5.876 ( 0.213 -0.459 2.171) 2.229 5.954 ( 0.149 1.802 0.705) 1.940 5.982 ( -0.891 0.061 0.123) 0.901 6.017 ( -0.685 4.856 -1.162) 5.040 6.048 ( -0.268 5.376 -1.871) 5.698 6.099 ( 0.364 -2.998 -3.541) 4.654 6.125 ( -2.744 -1.674 -2.359) 3.987 6.162 ( 0.141 0.612 2.279) 2.364 6.236 ( 1.580 -4.938 2.561) 5.782 6.317 ( -2.095 5.729 -0.812) 6.154 6.356 ( -0.482 1.492 2.177) 2.683 6.396 ( 1.761 3.451 -0.014) 3.874 6.466 ( 1.972 -1.455 -0.398) 2.483 6.526 ( 0.559 -0.453 -0.279) 0.772 6.551 ( 1.874 -2.334 2.413) 3.845 6.580 ( -1.267 5.505 -0.183) 5.652 6.616 ( -0.465 2.216 -0.098) 2.266 6.680 ( -1.323 2.435 -0.880) 2.908 6.746 ( -1.726 -0.991 -0.086) 1.993 6.822 ( -1.880 -0.324 -0.536) 1.982 6.872 ( 0.786 2.164 2.452) 3.364 6.931 ( -3.272 -3.176 2.391) 5.149 6.981 ( -3.198 -1.308 -2.269) 4.134 7.053 ( -2.175 3.335 -1.837) 4.385 7.096 ( -5.566 2.734 -4.007) 7.383 7.325 ( 0.159 4.382 2.450) 5.023 7.406 ( 1.876 -5.198 2.051) 5.895 7.578 ( 2.865 1.401 -3.159) 4.489 7.664 ( 1.016 -5.237 -2.362) 5.834 7.839 ( 4.113 4.248 8.962) 10.737 7.986 ( 8.657 5.656 -4.585) 11.312 8.012 ( 2.997 -13.352 2.678) 13.944 8.127 ( 8.993 -8.248 -3.642) 12.735 ======================= Grid point 147 (81/84) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -1.491 11.839 0.619) 11.949 1.755 ( 2.923 9.487 -0.527) 9.942 1.783 ( 3.766 7.033 0.406) 7.989 1.839 ( -8.458 4.905 -4.719) 10.857 2.074 ( 3.934 -2.858 3.996) 6.294 2.111 ( -0.721 -4.229 0.221) 4.296 2.127 ( -3.490 -3.403 -0.719) 4.927 2.187 ( -3.573 -8.948 -5.413) 11.051 2.263 ( 2.910 0.256 4.945) 5.744 2.295 ( 1.596 -4.592 5.918) 7.659 2.409 ( -3.774 -0.053 -5.814) 6.932 2.435 ( -1.477 -3.123 -4.398) 5.593 2.525 ( -0.934 2.168 3.016) 3.830 2.541 ( -3.225 0.834 1.587) 3.689 2.634 ( 0.995 0.969 2.815) 3.139 2.647 ( 0.705 0.152 0.825) 1.096 2.695 ( 3.698 1.555 -0.326) 4.025 2.721 ( 1.427 -1.208 -1.884) 2.654 2.779 ( 1.326 1.552 0.792) 2.190 2.789 ( -0.270 3.338 -1.016) 3.499 2.800 ( -0.083 0.456 1.964) 2.018 2.836 ( 0.247 -0.116 0.059) 0.280 2.846 ( 0.278 -1.275 0.153) 1.314 2.867 ( -1.682 -2.246 -1.823) 3.346 2.995 ( 4.239 1.824 2.335) 5.172 3.006 ( 3.226 1.194 2.187) 4.077 3.032 ( -0.947 1.625 -0.756) 2.027 3.046 ( -2.307 0.811 -1.683) 2.968 3.097 ( 5.410 4.856 3.520) 8.077 3.133 ( 4.767 1.912 1.694) 5.408 3.169 ( -2.107 0.568 -0.388) 2.216 3.182 ( -2.240 -0.948 -0.298) 2.450 3.198 ( 0.055 2.020 -2.032) 2.866 3.218 ( -4.950 0.316 -2.777) 5.685 3.323 ( 1.599 -0.832 -0.460) 1.861 3.386 ( -4.814 -5.439 -4.771) 8.690 3.543 ( 1.737 1.391 2.193) 3.124 3.569 ( -1.410 -1.192 0.081) 1.849 3.760 ( 1.536 1.496 0.581) 2.221 3.773 ( -0.112 0.177 -0.429) 0.477 4.247 ( 3.054 5.445 0.720) 6.284 4.305 ( -2.394 0.360 -4.175) 4.827 4.463 ( 1.893 -2.252 -0.737) 3.033 4.471 ( -2.564 -3.704 -1.459) 4.735 4.642 ( 1.866 2.313 2.612) 3.957 4.669 ( 0.836 -0.582 0.116) 1.025 4.769 ( 1.114 5.939 -0.738) 6.087 4.802 ( -3.386 4.057 -3.260) 6.209 4.897 ( 3.441 1.356 1.385) 3.950 4.926 ( 0.084 -0.867 -0.126) 0.881 4.968 ( -2.798 0.145 -2.885) 4.022 4.991 ( -4.397 -1.903 -4.000) 6.241 5.126 ( -0.468 1.734 0.693) 1.925 5.147 ( 0.440 3.753 0.026) 3.779 5.181 ( 0.955 -2.273 2.468) 3.488 5.226 ( -0.422 -3.091 -0.591) 3.176 5.530 ( 2.091 0.811 3.247) 3.947 5.556 ( 1.823 -1.113 2.836) 3.550 5.585 ( -0.825 0.077 1.022) 1.315 5.612 ( -1.273 -2.448 0.127) 2.762 5.742 ( 3.839 0.857 4.565) 6.026 5.757 ( 3.615 -0.586 5.549) 6.649 5.820 ( -2.302 3.124 -2.395) 4.560 5.860 ( -2.022 -1.257 -2.874) 3.733 5.960 ( 0.090 0.904 -0.233) 0.938 5.970 ( -0.215 0.389 -1.088) 1.175 6.011 ( 1.224 3.514 0.129) 3.723 6.033 ( -0.586 1.910 -1.177) 2.319 6.061 ( -1.820 -1.268 -0.712) 2.330 6.076 ( 0.987 -2.310 -1.729) 3.050 6.209 ( 1.292 3.549 3.214) 4.959 6.265 ( -1.716 3.571 -1.693) 4.309 6.307 ( 2.220 -1.187 2.561) 3.591 6.350 ( -1.429 0.372 -0.821) 1.689 6.419 ( 1.591 0.420 0.088) 1.648 6.457 ( -0.593 -2.588 -2.682) 3.774 6.559 ( -1.152 4.191 1.249) 4.522 6.561 ( 1.691 4.329 1.792) 4.981 6.626 ( 0.854 0.489 2.060) 2.283 6.629 ( 1.792 0.879 2.223) 2.988 6.690 ( 1.281 2.541 1.557) 3.244 6.727 ( -0.971 0.023 1.699) 1.957 6.772 ( -3.352 4.293 -3.055) 6.245 6.811 ( -2.895 3.015 -4.682) 6.276 6.925 ( -1.444 -0.224 1.069) 1.810 6.950 ( 1.608 0.852 0.511) 1.890 7.004 ( -0.160 0.334 -1.517) 1.561 7.013 ( -2.574 3.058 -1.209) 4.176 7.403 ( 1.823 -2.783 5.907) 6.779 7.438 ( -1.728 -7.467 2.574) 8.085 7.559 ( 0.794 -3.382 -3.160) 4.696 7.593 ( -2.968 -5.514 -5.541) 8.362 7.969 ( -1.668 0.229 7.213) 7.407 8.019 ( -2.890 -4.549 0.515) 5.414 8.063 ( 4.925 4.232 -0.979) 6.567 8.164 ( 4.840 -5.282 -5.851) 9.250 ======================= Grid point 148 (82/84) ======================= q-point: (-0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -9.090 14.616 -0.749) 17.229 1.676 ( -9.620 10.673 0.657) 14.384 1.828 ( 1.316 2.586 -1.107) 3.106 1.882 ( 2.467 -0.036 4.501) 5.133 2.053 ( -1.843 -2.623 -0.988) 3.354 2.081 ( -3.398 -5.450 1.250) 6.543 2.156 ( 2.427 -1.293 2.191) 3.516 2.179 ( 1.408 -3.427 3.339) 4.988 2.261 ( -4.288 1.075 -5.942) 7.406 2.314 ( -3.087 -4.713 -3.602) 6.687 2.368 ( -1.413 2.405 6.594) 7.160 2.419 ( 1.211 -4.448 5.147) 6.909 2.516 ( -1.664 2.660 0.209) 3.144 2.539 ( -1.946 0.122 2.247) 2.974 2.605 ( -5.731 2.289 -1.904) 6.458 2.640 ( -2.674 -0.056 -0.054) 2.675 2.677 ( -1.705 1.075 -4.361) 4.804 2.690 ( -2.809 -0.076 -3.773) 4.704 2.768 ( -0.227 0.317 0.554) 0.677 2.780 ( -1.168 2.916 -0.656) 3.209 2.790 ( -3.104 -0.450 -0.584) 3.191 2.820 ( -2.546 -1.904 -1.216) 3.404 2.834 ( -0.919 0.259 0.644) 1.152 2.854 ( -0.347 -1.848 1.672) 2.517 2.946 ( -5.204 2.775 -1.675) 6.131 2.972 ( -4.200 1.617 -1.383) 4.708 3.003 ( -3.535 0.388 -1.504) 3.861 3.030 ( -6.290 -1.188 -1.369) 6.546 3.069 ( 0.535 3.922 0.002) 3.958 3.120 ( 1.502 3.256 0.881) 3.692 3.128 ( -1.965 -0.322 0.690) 2.107 3.202 ( 1.071 -2.293 -0.950) 2.703 3.264 ( 3.635 1.416 -0.643) 3.954 3.296 ( 4.819 -1.022 -0.463) 4.948 3.338 ( 6.799 2.090 2.906) 7.684 3.414 ( 5.230 -5.310 3.449) 8.213 3.553 ( 1.274 3.746 -0.919) 4.062 3.611 ( 4.093 -2.316 0.379) 4.719 3.750 ( -0.955 1.840 -1.219) 2.405 3.775 ( 0.237 -0.666 -0.316) 0.774 4.242 ( 0.782 5.417 -1.797) 5.761 4.327 ( 3.795 -2.412 1.504) 4.741 4.465 ( 4.043 1.032 0.960) 4.281 4.520 ( 4.162 -3.112 0.043) 5.197 4.648 ( -0.877 2.845 -2.954) 4.194 4.674 ( 1.373 -0.122 -0.017) 1.379 4.739 ( -2.328 5.084 0.208) 5.596 4.821 ( 0.502 -1.359 0.207) 1.464 4.881 ( 2.767 2.821 1.007) 4.078 4.925 ( 1.757 -1.098 0.642) 2.168 4.994 ( 4.319 3.669 2.704) 6.279 5.040 ( 5.929 -1.536 3.462) 7.036 5.143 ( 1.918 1.427 0.728) 2.499 5.152 ( 0.339 3.099 -0.813) 3.222 5.199 ( 1.166 -1.526 -1.601) 2.500 5.233 ( 1.492 -2.914 0.777) 3.364 5.531 ( -1.843 0.602 -2.665) 3.295 5.555 ( -2.035 -1.689 -2.548) 3.672 5.592 ( 0.755 1.600 0.855) 1.965 5.629 ( 1.515 -2.353 0.963) 2.959 5.733 ( -3.419 0.978 -4.409) 5.664 5.758 ( -3.914 -1.230 -5.873) 7.164 5.828 ( 1.809 2.819 2.155) 3.983 5.860 ( 2.435 -0.762 3.400) 4.251 5.960 ( 0.385 0.750 0.412) 0.938 5.979 ( 1.593 -0.637 0.024) 1.716 6.002 ( -0.326 4.144 -0.244) 4.164 6.031 ( 0.062 1.835 0.357) 1.871 6.049 ( -1.008 -1.233 0.418) 1.647 6.090 ( 2.623 -2.937 0.389) 3.957 6.219 ( -1.026 3.606 -2.237) 4.366 6.268 ( 1.481 2.108 2.095) 3.321 6.306 ( -1.178 2.078 -2.113) 3.189 6.358 ( 1.197 1.647 1.131) 2.329 6.409 ( -1.064 -1.461 -1.526) 2.366 6.441 ( -0.298 -3.012 1.239) 3.270 6.539 ( -2.190 4.473 -0.307) 4.990 6.581 ( 0.029 2.641 -0.913) 2.795 6.604 ( -2.611 1.254 -1.247) 3.153 6.655 ( 0.651 -0.198 -2.542) 2.632 6.689 ( -0.664 3.236 -1.254) 3.533 6.750 ( 1.482 -0.639 0.360) 1.653 6.796 ( 3.351 6.740 2.482) 7.926 6.815 ( 4.037 5.434 5.230) 8.554 6.931 ( -0.579 -0.510 1.242) 1.462 6.960 ( 2.350 -3.806 -0.793) 4.543 6.996 ( 1.027 2.653 1.837) 3.386 7.046 ( 4.106 2.055 1.792) 4.929 7.407 ( -3.615 -4.042 -2.640) 6.031 7.461 ( -1.293 -8.354 -1.144) 8.531 7.494 ( -4.514 -1.853 1.373) 5.069 7.558 ( -0.667 -6.342 5.319) 8.304 7.903 ( -10.406 4.907 -0.101) 11.505 8.009 ( -6.814 -5.939 4.865) 10.266 8.078 ( 0.732 0.110 -4.271) 4.335 8.111 ( 0.786 -3.278 -7.518) 8.239 ======================= Grid point 149 (83/84) ======================= q-point: (-0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -12.554 12.420 2.439) 17.827 1.560 ( -9.326 17.584 -0.047) 19.904 1.718 ( -10.798 -8.355 -2.465) 13.874 1.890 ( -6.094 -10.784 0.267) 12.390 2.058 ( 0.492 3.710 1.721) 4.119 2.087 ( -3.495 -0.613 -3.513) 4.993 2.129 ( -2.380 1.045 -6.194) 6.717 2.183 ( 0.539 2.324 3.159) 3.958 2.234 ( -1.825 2.485 2.715) 4.108 2.283 ( -1.822 -3.005 -1.265) 3.735 2.372 ( -3.577 0.498 0.332) 3.627 2.386 ( -7.865 0.078 -1.875) 8.085 2.478 ( -4.179 2.567 -2.588) 5.545 2.522 ( -2.955 -1.770 -0.424) 3.470 2.541 ( 0.077 2.314 2.557) 3.449 2.583 ( 0.270 -0.972 1.174) 1.548 2.596 ( -0.759 1.929 -0.835) 2.235 2.640 ( 0.855 -1.540 1.440) 2.275 2.724 ( -3.060 1.969 -0.538) 3.678 2.754 ( -3.106 -0.797 -0.192) 3.212 2.775 ( -0.109 -0.484 -0.949) 1.071 2.806 ( -0.492 -0.930 1.844) 2.123 2.830 ( -0.912 -2.314 0.007) 2.488 2.841 ( -1.048 -0.578 1.034) 1.582 2.896 ( -2.136 2.661 -0.334) 3.429 2.933 ( -1.885 -1.320 0.873) 2.462 2.958 ( -2.565 1.625 1.796) 3.528 2.978 ( 0.196 -0.119 1.213) 1.235 3.089 ( 0.587 1.447 1.373) 2.079 3.106 ( -1.484 -0.534 -0.314) 1.609 3.155 ( 0.512 2.379 0.728) 2.540 3.199 ( 0.551 -1.658 0.433) 1.800 3.289 ( 2.207 1.820 -1.669) 3.312 3.333 ( 1.518 -2.479 -0.463) 2.944 3.453 ( 4.237 2.931 1.565) 5.384 3.503 ( 3.035 -2.279 1.251) 3.997 3.563 ( 2.082 5.369 -2.530) 6.290 3.655 ( 3.016 -3.845 -1.610) 5.146 3.735 ( 0.727 1.947 -0.404) 2.118 3.772 ( 0.391 -2.068 -0.406) 2.144 4.284 ( 4.927 6.795 1.690) 8.562 4.395 ( 3.541 -4.406 2.272) 6.092 4.524 ( -0.952 2.040 -1.490) 2.700 4.547 ( 2.100 -0.559 0.849) 2.333 4.664 ( 4.077 3.675 2.164) 5.900 4.682 ( -1.138 0.707 0.446) 1.412 4.733 ( 1.816 1.915 1.959) 3.286 4.832 ( 4.527 -6.158 0.013) 7.643 4.968 ( 3.106 5.476 0.107) 6.297 5.022 ( 4.983 1.475 2.894) 5.948 5.068 ( 4.141 3.680 1.295) 5.689 5.093 ( -1.116 -0.373 -2.460) 2.727 5.169 ( 2.403 4.439 0.514) 5.073 5.199 ( 1.271 1.561 -1.560) 2.547 5.231 ( 4.608 -0.623 3.685) 5.933 5.266 ( 2.975 -3.334 -0.075) 4.469 5.476 ( 1.284 -0.630 -2.611) 2.978 5.490 ( -0.407 -1.726 -3.698) 4.101 5.601 ( 0.111 1.243 -0.054) 1.249 5.623 ( -3.727 -0.930 -2.676) 4.681 5.632 ( -0.714 0.236 -3.779) 3.853 5.650 ( -0.551 -1.864 -3.630) 4.118 5.863 ( 0.722 2.239 0.992) 2.553 5.886 ( -0.537 -0.999 -1.173) 1.632 5.956 ( -0.307 2.585 -0.203) 2.611 6.004 ( 1.724 0.507 0.543) 1.878 6.024 ( 0.725 0.976 -0.054) 1.217 6.036 ( 0.670 7.326 1.659) 7.541 6.070 ( 1.376 -1.829 3.359) 4.065 6.140 ( 1.979 -3.081 1.855) 4.105 6.180 ( -0.315 0.079 -2.224) 2.248 6.234 ( -2.020 -3.619 -2.257) 4.719 6.340 ( 2.710 5.874 1.169) 6.574 6.364 ( -1.029 4.351 0.523) 4.502 6.390 ( 0.013 1.088 -2.233) 2.483 6.435 ( -1.882 -1.318 0.321) 2.320 6.513 ( -0.785 -1.064 0.207) 1.338 6.545 ( -1.489 -3.624 -1.505) 4.197 6.586 ( 0.078 5.648 0.530) 5.674 6.635 ( 1.148 5.852 -1.663) 6.191 6.701 ( 2.596 0.178 0.734) 2.704 6.763 ( 0.608 0.996 -0.010) 1.167 6.835 ( 1.528 -1.594 1.187) 2.507 6.878 ( -0.915 2.948 -1.416) 3.397 6.969 ( 1.485 -5.361 1.480) 5.756 7.017 ( 2.773 -7.981 0.428) 8.460 7.058 ( 2.301 9.689 3.644) 10.604 7.141 ( 4.592 4.609 2.689) 7.039 7.340 ( -0.107 0.018 -0.465) 0.477 7.391 ( -2.951 -6.582 -2.728) 7.711 7.485 ( -3.863 3.057 5.045) 7.051 7.617 ( -1.663 -7.092 2.837) 7.817 7.750 ( -12.255 9.372 3.179) 15.752 7.921 ( -7.231 -5.935 -2.745) 9.749 7.975 ( -5.306 -3.638 -4.162) 7.662 8.010 ( -2.997 -8.252 -7.140) 11.317 ======================= Grid point 150 (84/84) ======================= q-point: (-0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -15.078 11.390 3.913) 19.297 1.455 ( -4.419 17.378 0.341) 17.934 1.533 ( -10.444 -9.390 -2.472) 14.260 1.772 ( -4.928 -14.726 -5.440) 16.454 1.938 ( -6.373 0.062 -5.639) 8.510 1.982 ( -8.461 -3.520 -4.945) 10.413 2.063 ( -6.222 1.308 -8.369) 10.510 2.073 ( -4.413 0.995 -8.418) 9.557 2.118 ( 0.017 5.953 1.012) 6.038 2.217 ( -2.159 -2.518 0.278) 3.328 2.374 ( -3.399 2.281 1.779) 4.463 2.383 ( -1.231 0.219 -1.073) 1.648 2.469 ( 1.196 5.876 2.650) 6.556 2.514 ( 2.235 0.496 3.118) 3.868 2.582 ( 1.544 4.554 2.519) 5.429 2.617 ( 2.876 1.506 2.355) 4.010 2.651 ( 1.637 2.474 4.605) 5.477 2.696 ( -0.941 0.537 2.406) 2.639 2.734 ( -0.504 -1.101 1.165) 1.680 2.735 ( 3.859 -2.583 3.665) 5.916 2.778 ( 0.482 0.332 0.848) 1.030 2.802 ( -1.187 -1.030 0.454) 1.636 2.812 ( -1.314 -1.244 -0.845) 1.997 2.827 ( -0.408 -1.741 -0.194) 1.799 2.881 ( -1.212 1.621 1.055) 2.282 2.916 ( -2.395 -1.477 1.382) 3.135 2.986 ( -0.012 2.640 3.373) 4.284 3.016 ( 0.253 0.094 1.580) 1.603 3.084 ( -0.212 2.300 -1.431) 2.717 3.126 ( 1.775 -1.527 1.671) 2.877 3.170 ( 0.382 2.560 2.913) 3.897 3.225 ( 1.156 -1.812 1.971) 2.916 3.276 ( 0.760 3.242 -2.714) 4.295 3.336 ( 0.260 -1.976 -1.337) 2.400 3.482 ( 0.047 2.367 -2.190) 3.225 3.529 ( 0.294 -1.020 -1.539) 1.870 3.558 ( 1.999 3.083 -0.732) 3.746 3.655 ( 1.514 -4.670 -3.017) 5.762 3.746 ( 0.401 0.971 -0.067) 1.053 3.769 ( 0.219 -1.931 -0.638) 2.046 4.398 ( 5.626 6.134 3.651) 9.089 4.485 ( 2.627 -2.237 3.289) 4.767 4.496 ( 0.326 3.596 -0.228) 3.618 4.559 ( 0.178 -2.661 0.139) 2.671 4.684 ( -0.614 3.078 3.047) 4.374 4.730 ( -0.650 -1.387 3.845) 4.139 4.845 ( 7.200 4.100 2.254) 8.587 4.912 ( 3.142 0.515 -0.659) 3.251 4.963 ( 1.705 1.472 -1.469) 2.690 5.027 ( -0.829 -0.102 -2.566) 2.699 5.077 ( -0.327 2.928 0.445) 2.980 5.098 ( -3.305 1.598 -3.963) 5.402 5.185 ( 3.378 3.821 -0.779) 5.159 5.206 ( 1.667 0.325 0.025) 1.698 5.233 ( -3.333 -2.982 -3.438) 5.641 5.272 ( 1.033 -4.201 -2.487) 4.990 5.521 ( 1.480 0.269 1.180) 1.912 5.541 ( 3.328 -1.628 0.247) 3.713 5.559 ( 3.822 0.829 0.708) 3.974 5.586 ( 0.407 1.483 -2.291) 2.759 5.611 ( 0.732 -2.866 -0.186) 2.964 5.619 ( 1.507 -1.074 -1.556) 2.418 5.856 ( -0.033 0.209 -1.585) 1.599 5.872 ( 0.037 -1.319 -0.701) 1.495 5.984 ( 2.243 4.958 2.077) 5.825 6.013 ( -0.135 6.045 0.163) 6.048 6.037 ( 0.763 -0.105 1.956) 2.103 6.079 ( 0.421 3.819 1.752) 4.222 6.121 ( 0.874 -2.324 0.631) 2.562 6.163 ( -1.192 -2.326 -0.346) 2.636 6.195 ( 1.861 0.222 2.497) 3.122 6.217 ( 2.571 -1.579 2.027) 3.634 6.330 ( -1.657 2.096 -2.875) 3.925 6.360 ( 0.852 1.167 -1.839) 2.339 6.379 ( 0.667 5.209 0.383) 5.265 6.404 ( -2.113 0.750 0.257) 2.257 6.504 ( -0.357 -2.881 -0.473) 2.941 6.519 ( -0.795 -3.431 -1.152) 3.705 6.618 ( 1.288 6.429 2.771) 7.118 6.654 ( 2.331 6.740 0.831) 7.180 6.736 ( 0.553 0.648 -0.959) 1.283 6.775 ( 0.701 2.617 0.551) 2.765 6.834 ( -1.209 5.396 -2.545) 6.087 6.873 ( 0.458 -4.137 1.195) 4.331 6.959 ( -1.769 -4.555 -2.543) 5.509 7.023 ( 1.995 -9.179 0.719) 9.421 7.120 ( 1.886 1.102 1.399) 2.594 7.214 ( -5.120 13.723 3.581) 15.079 7.281 ( 0.553 -7.798 -2.588) 8.235 7.434 ( 4.241 -2.329 2.109) 5.278 7.475 ( -5.223 7.737 -0.446) 9.346 7.550 ( -6.114 5.023 2.338) 8.251 7.699 ( -5.302 -4.436 2.970) 7.524 7.794 ( -5.703 -8.977 -3.100) 11.078 7.842 ( -5.999 -4.246 -1.916) 7.596 7.893 ( 2.621 -7.899 -7.319) 11.083 =================== 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 3/26880 10.0 949.795 674.571 833.194 0.000 70.275 0.000 3/26880 20.0 156.509 141.365 137.479 0.000 11.817 0.000 3/26880 30.0 63.536 58.477 53.116 0.000 6.693 0.000 3/26880 40.0 35.269 32.460 29.029 0.000 4.158 0.000 3/26880 50.0 22.804 21.019 18.733 0.000 2.792 0.000 3/26880 60.0 16.289 15.040 13.405 0.000 2.021 0.000 3/26880 70.0 12.475 11.538 10.293 0.000 1.556 0.000 3/26880 80.0 10.044 9.303 8.307 0.000 1.256 0.000 3/26880 90.0 8.388 7.780 6.953 0.000 1.052 0.000 3/26880 100.0 7.199 6.686 5.978 0.000 0.905 0.000 3/26880 110.0 6.309 5.867 5.247 0.000 0.796 0.000 3/26880 120.0 5.619 5.231 4.680 0.000 0.710 0.000 3/26880 130.0 5.069 4.724 4.227 0.000 0.643 0.000 3/26880 140.0 4.621 4.310 3.857 0.000 0.587 0.000 3/26880 150.0 4.248 3.966 3.549 0.000 0.541 0.000 3/26880 160.0 3.933 3.675 3.288 0.000 0.502 0.000 3/26880 170.0 3.664 3.425 3.065 0.000 0.469 0.000 3/26880 180.0 3.430 3.209 2.871 0.000 0.440 0.000 3/26880 190.0 3.226 3.019 2.701 0.000 0.414 0.000 3/26880 200.0 3.045 2.851 2.551 0.000 0.391 0.000 3/26880 210.0 2.884 2.702 2.417 0.000 0.371 0.000 3/26880 220.0 2.740 2.568 2.297 0.000 0.353 0.000 3/26880 230.0 2.610 2.447 2.189 0.000 0.337 0.000 3/26880 240.0 2.493 2.337 2.091 0.000 0.322 0.000 3/26880 250.0 2.385 2.237 2.001 0.000 0.308 0.000 3/26880 260.0 2.287 2.146 1.919 0.000 0.296 0.000 3/26880 270.0 2.197 2.062 1.844 0.000 0.284 0.000 3/26880 280.0 2.114 1.984 1.774 0.000 0.274 0.000 3/26880 290.0 2.037 1.912 1.710 0.000 0.264 0.000 3/26880 300.0 1.965 1.845 1.650 0.000 0.255 0.000 3/26880 310.0 1.899 1.783 1.595 0.000 0.246 0.000 3/26880 320.0 1.837 1.725 1.543 0.000 0.239 0.000 3/26880 330.0 1.779 1.671 1.494 0.000 0.231 0.000 3/26880 340.0 1.724 1.620 1.449 0.000 0.224 0.000 3/26880 350.0 1.673 1.572 1.406 0.000 0.218 0.000 3/26880 360.0 1.625 1.527 1.365 0.000 0.211 0.000 3/26880 370.0 1.580 1.485 1.327 0.000 0.206 0.000 3/26880 380.0 1.537 1.445 1.292 0.000 0.200 0.000 3/26880 390.0 1.496 1.407 1.257 0.000 0.195 0.000 3/26880 400.0 1.458 1.371 1.225 0.000 0.190 0.000 3/26880 410.0 1.421 1.336 1.195 0.000 0.185 0.000 3/26880 420.0 1.387 1.304 1.166 0.000 0.181 0.000 3/26880 430.0 1.354 1.273 1.138 0.000 0.177 0.000 3/26880 440.0 1.322 1.243 1.111 0.000 0.172 0.000 3/26880 450.0 1.292 1.215 1.086 0.000 0.169 0.000 3/26880 460.0 1.263 1.188 1.062 0.000 0.165 0.000 3/26880 470.0 1.236 1.162 1.039 0.000 0.161 0.000 3/26880 480.0 1.210 1.138 1.017 0.000 0.158 0.000 3/26880 490.0 1.185 1.114 0.996 0.000 0.155 0.000 3/26880 500.0 1.160 1.092 0.976 0.000 0.152 0.000 3/26880 510.0 1.137 1.070 0.956 0.000 0.149 0.000 3/26880 520.0 1.115 1.049 0.938 0.000 0.146 0.000 3/26880 530.0 1.094 1.029 0.920 0.000 0.143 0.000 3/26880 540.0 1.073 1.010 0.902 0.000 0.140 0.000 3/26880 550.0 1.053 0.991 0.886 0.000 0.138 0.000 3/26880 560.0 1.034 0.973 0.870 0.000 0.135 0.000 3/26880 570.0 1.016 0.956 0.854 0.000 0.133 0.000 3/26880 580.0 0.998 0.939 0.840 0.000 0.131 0.000 3/26880 590.0 0.981 0.923 0.825 0.000 0.128 0.000 3/26880 600.0 0.965 0.908 0.811 0.000 0.126 0.000 3/26880 610.0 0.949 0.893 0.798 0.000 0.124 0.000 3/26880 620.0 0.933 0.878 0.785 0.000 0.122 0.000 3/26880 630.0 0.918 0.864 0.772 0.000 0.120 0.000 3/26880 640.0 0.904 0.850 0.760 0.000 0.118 0.000 3/26880 650.0 0.890 0.837 0.748 0.000 0.116 0.000 3/26880 660.0 0.876 0.824 0.737 0.000 0.115 0.000 3/26880 670.0 0.863 0.812 0.726 0.000 0.113 0.000 3/26880 680.0 0.850 0.800 0.715 0.000 0.111 0.000 3/26880 690.0 0.838 0.788 0.705 0.000 0.110 0.000 3/26880 700.0 0.826 0.777 0.694 0.000 0.108 0.000 3/26880 710.0 0.814 0.766 0.685 0.000 0.107 0.000 3/26880 720.0 0.802 0.755 0.675 0.000 0.105 0.000 3/26880 730.0 0.791 0.745 0.666 0.000 0.104 0.000 3/26880 740.0 0.781 0.735 0.657 0.000 0.102 0.000 3/26880 750.0 0.770 0.725 0.648 0.000 0.101 0.000 3/26880 760.0 0.760 0.715 0.639 0.000 0.100 0.000 3/26880 770.0 0.750 0.706 0.631 0.000 0.098 0.000 3/26880 780.0 0.740 0.697 0.623 0.000 0.097 0.000 3/26880 790.0 0.731 0.688 0.615 0.000 0.096 0.000 3/26880 800.0 0.722 0.679 0.607 0.000 0.095 0.000 3/26880 810.0 0.713 0.671 0.600 0.000 0.093 0.000 3/26880 820.0 0.704 0.663 0.592 0.000 0.092 0.000 3/26880 830.0 0.695 0.655 0.585 0.000 0.091 0.000 3/26880 840.0 0.687 0.647 0.578 0.000 0.090 0.000 3/26880 850.0 0.679 0.639 0.571 0.000 0.089 0.000 3/26880 860.0 0.671 0.632 0.565 0.000 0.088 0.000 3/26880 870.0 0.663 0.624 0.558 0.000 0.087 0.000 3/26880 880.0 0.656 0.617 0.552 0.000 0.086 0.000 3/26880 890.0 0.648 0.610 0.545 0.000 0.085 0.000 3/26880 900.0 0.641 0.604 0.539 0.000 0.084 0.000 3/26880 910.0 0.634 0.597 0.533 0.000 0.083 0.000 3/26880 920.0 0.627 0.590 0.528 0.000 0.082 0.000 3/26880 930.0 0.620 0.584 0.522 0.000 0.081 0.000 3/26880 940.0 0.614 0.578 0.516 0.000 0.080 0.000 3/26880 950.0 0.607 0.572 0.511 0.000 0.080 0.000 3/26880 960.0 0.601 0.566 0.505 0.000 0.079 0.000 3/26880 970.0 0.595 0.560 0.500 0.000 0.078 0.000 3/26880 980.0 0.589 0.554 0.495 0.000 0.077 0.000 3/26880 990.0 0.583 0.548 0.490 0.000 0.076 0.000 3/26880 1000.0 0.577 0.543 0.485 0.000 0.076 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:54:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|