----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:03:19]------------------------- Compiled with OpenMP support (max 32 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 4.368626020004687 0.000000000000000 0.000000000000000 b 0.000000000000000 6.884736210000000 0.000000000000000 c -0.096257983045158 0.000000000000000 8.957761888992483 Atomic positions (fractional): *1 Hf 0.00070687087731 0.11194837091245 0.67060447411220 178.490 2 Hf 0.99929312912269 0.88805162908755 0.32939552588780 178.490 3 Hf 0.00070687087731 0.38805162908755 0.17060447411220 178.490 4 Hf 0.99929312912269 0.61194837091245 0.82939552588780 178.490 *5 B 0.46391801538202 0.41280391291230 0.66720199969200 10.811 6 B 0.53608198461798 0.58719608708770 0.33279800030800 10.811 7 B 0.53608198461798 0.91280391291230 0.83279800030800 10.811 *8 B 0.52666121177879 0.27168931697513 0.92376662528681 10.811 9 B 0.46391801538202 0.08719608708770 0.16720199969200 10.811 10 B 0.47333878822121 0.72831068302487 0.07623337471319 10.811 11 B 0.52666121177879 0.22831068302487 0.42376662528682 10.811 12 B 0.47333878822121 0.77168931697513 0.57623337471319 10.811 *13 O 0.32867025034858 0.89451774285857 0.15106469786879 15.999 *14 O 0.76964647986155 0.40415504586609 0.96837129514946 15.999 15 O 0.32867025034858 0.60548225714143 0.65106469786879 15.999 *16 O 0.69804858106509 0.84504042787821 0.69140451405666 15.999 17 O 0.23035352013845 0.90415504586609 0.53162870485054 15.999 *18 O 0.21109837916494 0.90915430280917 0.81993858704296 15.999 *19 O 0.34568414927982 0.27729361119211 0.55542908912977 15.999 20 O 0.67132974965142 0.10548225714143 0.84893530213121 15.999 21 O 0.67132974965142 0.39451774285857 0.34893530213121 15.999 22 O 0.34568414927982 0.22270638880789 0.05542908912977 15.999 23 O 0.78890162083506 0.09084569719083 0.18006141295704 15.999 24 O 0.78890162083506 0.40915430280917 0.68006141295704 15.999 25 O 0.65431585072018 0.72270638880789 0.44457091087023 15.999 26 O 0.30195141893491 0.34504042787821 0.80859548594334 15.999 27 O 0.30195141893491 0.15495957212179 0.30859548594334 15.999 28 O 0.69804858106509 0.65495957212179 0.19140451405666 15.999 29 O 0.76964647986155 0.09584495413391 0.46837129514946 15.999 30 O 0.65431585072018 0.77729361119211 0.94457091087023 15.999 31 O 0.21109837916494 0.59084569719083 0.31993858704297 15.999 32 O 0.23035352013845 0.59584495413391 0.03162870485054 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.368626020004687 0.000000000000000 0.000000000000000 b 0.000000000000000 6.884736210000000 0.000000000000000 c -0.096257983045158 0.000000000000000 8.957761888992483 Atomic positions (fractional): *1 Hf 0.00070687087731 0.11194837091245 0.67060447411220 178.490 > 1 2 Hf 0.99929312912269 0.88805162908755 0.32939552588780 178.490 > 2 3 Hf 0.00070687087731 0.38805162908755 0.17060447411220 178.490 > 3 4 Hf 0.99929312912269 0.61194837091245 0.82939552588780 178.490 > 4 *5 B 0.46391801538202 0.41280391291230 0.66720199969200 10.811 > 5 6 B 0.53608198461798 0.58719608708770 0.33279800030800 10.811 > 6 7 B 0.53608198461798 0.91280391291230 0.83279800030800 10.811 > 7 *8 B 0.52666121177879 0.27168931697513 0.92376662528681 10.811 > 8 9 B 0.46391801538202 0.08719608708770 0.16720199969200 10.811 > 9 10 B 0.47333878822121 0.72831068302487 0.07623337471319 10.811 > 10 11 B 0.52666121177879 0.22831068302487 0.42376662528682 10.811 > 11 12 B 0.47333878822121 0.77168931697513 0.57623337471319 10.811 > 12 *13 O 0.32867025034858 0.89451774285857 0.15106469786879 15.999 > 13 *14 O 0.76964647986155 0.40415504586609 0.96837129514946 15.999 > 14 15 O 0.32867025034858 0.60548225714143 0.65106469786879 15.999 > 15 *16 O 0.69804858106509 0.84504042787821 0.69140451405666 15.999 > 16 17 O 0.23035352013845 0.90415504586609 0.53162870485054 15.999 > 17 *18 O 0.21109837916494 0.90915430280917 0.81993858704296 15.999 > 18 *19 O 0.34568414927982 0.27729361119211 0.55542908912977 15.999 > 19 20 O 0.67132974965142 0.10548225714143 0.84893530213121 15.999 > 20 21 O 0.67132974965142 0.39451774285857 0.34893530213121 15.999 > 21 22 O 0.34568414927982 0.22270638880789 0.05542908912977 15.999 > 22 23 O 0.78890162083506 0.09084569719083 0.18006141295704 15.999 > 23 24 O 0.78890162083506 0.40915430280917 0.68006141295704 15.999 > 24 25 O 0.65431585072018 0.72270638880789 0.44457091087023 15.999 > 25 26 O 0.30195141893491 0.34504042787821 0.80859548594334 15.999 > 26 27 O 0.30195141893491 0.15495957212179 0.30859548594334 15.999 > 27 28 O 0.69804858106509 0.65495957212179 0.19140451405666 15.999 > 28 29 O 0.76964647986155 0.09584495413391 0.46837129514946 15.999 > 29 30 O 0.65431585072018 0.77729361119211 0.94457091087023 15.999 > 30 31 O 0.21109837916494 0.59084569719083 0.31993858704297 15.999 > 31 32 O 0.23035352013845 0.59584495413391 0.03162870485054 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.737252040009373 0.000000000000000 0.000000000000000 b 0.000000000000000 13.769472420000000 0.000000000000000 c -0.096257983045158 0.000000000000000 8.957761888992483 Atomic positions (fractional): *1 Hf 0.00035343543866 0.05597418545623 0.67060447411220 178.490 > 1 2 Hf 0.50035343543866 0.05597418545623 0.67060447411220 178.490 > 1 3 Hf 0.00035343543866 0.55597418545623 0.67060447411220 178.490 > 1 4 Hf 0.50035343543866 0.55597418545623 0.67060447411220 178.490 > 1 5 Hf 0.49964656456134 0.44402581454377 0.32939552588780 178.490 > 2 6 Hf 0.99964656456134 0.44402581454377 0.32939552588780 178.490 > 2 7 Hf 0.49964656456134 0.94402581454377 0.32939552588780 178.490 > 2 8 Hf 0.99964656456134 0.94402581454377 0.32939552588780 178.490 > 2 9 Hf 0.00035343543866 0.19402581454377 0.17060447411220 178.490 > 3 10 Hf 0.50035343543866 0.19402581454377 0.17060447411220 178.490 > 3 11 Hf 0.00035343543866 0.69402581454377 0.17060447411220 178.490 > 3 12 Hf 0.50035343543866 0.69402581454377 0.17060447411220 178.490 > 3 13 Hf 0.49964656456134 0.30597418545623 0.82939552588780 178.490 > 4 14 Hf 0.99964656456134 0.30597418545623 0.82939552588780 178.490 > 4 15 Hf 0.49964656456134 0.80597418545623 0.82939552588780 178.490 > 4 16 Hf 0.99964656456134 0.80597418545623 0.82939552588780 178.490 > 4 *17 B 0.23195900769101 0.20640195645615 0.66720199969200 10.811 > 5 18 B 0.73195900769101 0.20640195645615 0.66720199969200 10.811 > 5 19 B 0.23195900769101 0.70640195645615 0.66720199969200 10.811 > 5 20 B 0.73195900769101 0.70640195645615 0.66720199969200 10.811 > 5 21 B 0.26804099230899 0.29359804354385 0.33279800030800 10.811 > 6 22 B 0.76804099230899 0.29359804354385 0.33279800030800 10.811 > 6 23 B 0.26804099230899 0.79359804354385 0.33279800030800 10.811 > 6 24 B 0.76804099230899 0.79359804354385 0.33279800030800 10.811 > 6 25 B 0.26804099230899 0.45640195645615 0.83279800030800 10.811 > 7 26 B 0.76804099230899 0.45640195645615 0.83279800030800 10.811 > 7 27 B 0.26804099230899 0.95640195645615 0.83279800030800 10.811 > 7 28 B 0.76804099230899 0.95640195645615 0.83279800030800 10.811 > 7 *29 B 0.26333060588939 0.13584465848757 0.92376662528681 10.811 > 8 30 B 0.76333060588939 0.13584465848757 0.92376662528681 10.811 > 8 31 B 0.26333060588939 0.63584465848757 0.92376662528681 10.811 > 8 32 B 0.76333060588939 0.63584465848757 0.92376662528681 10.811 > 8 33 B 0.23195900769101 0.04359804354385 0.16720199969200 10.811 > 9 34 B 0.73195900769101 0.04359804354385 0.16720199969200 10.811 > 9 35 B 0.23195900769101 0.54359804354385 0.16720199969200 10.811 > 9 36 B 0.73195900769101 0.54359804354385 0.16720199969200 10.811 > 9 37 B 0.23666939411061 0.36415534151243 0.07623337471319 10.811 > 10 38 B 0.73666939411061 0.36415534151243 0.07623337471319 10.811 > 10 39 B 0.23666939411061 0.86415534151243 0.07623337471319 10.811 > 10 40 B 0.73666939411061 0.86415534151243 0.07623337471319 10.811 > 10 41 B 0.26333060588939 0.11415534151243 0.42376662528682 10.811 > 11 42 B 0.76333060588939 0.11415534151243 0.42376662528682 10.811 > 11 43 B 0.26333060588939 0.61415534151243 0.42376662528682 10.811 > 11 44 B 0.76333060588939 0.61415534151243 0.42376662528682 10.811 > 11 45 B 0.23666939411061 0.38584465848757 0.57623337471319 10.811 > 12 46 B 0.73666939411061 0.38584465848757 0.57623337471319 10.811 > 12 47 B 0.23666939411061 0.88584465848757 0.57623337471319 10.811 > 12 48 B 0.73666939411061 0.88584465848757 0.57623337471319 10.811 > 12 *49 O 0.16433512517429 0.44725887142929 0.15106469786879 15.999 > 13 50 O 0.66433512517429 0.44725887142929 0.15106469786879 15.999 > 13 51 O 0.16433512517429 0.94725887142929 0.15106469786879 15.999 > 13 52 O 0.66433512517429 0.94725887142929 0.15106469786879 15.999 > 13 *53 O 0.38482323993077 0.20207752293304 0.96837129514946 15.999 > 14 54 O 0.88482323993077 0.20207752293304 0.96837129514946 15.999 > 14 55 O 0.38482323993077 0.70207752293304 0.96837129514946 15.999 > 14 56 O 0.88482323993077 0.70207752293304 0.96837129514946 15.999 > 14 57 O 0.16433512517429 0.30274112857071 0.65106469786879 15.999 > 15 58 O 0.66433512517429 0.30274112857071 0.65106469786879 15.999 > 15 59 O 0.16433512517429 0.80274112857071 0.65106469786879 15.999 > 15 60 O 0.66433512517429 0.80274112857071 0.65106469786879 15.999 > 15 *61 O 0.34902429053254 0.42252021393911 0.69140451405666 15.999 > 16 62 O 0.84902429053254 0.42252021393911 0.69140451405666 15.999 > 16 63 O 0.34902429053254 0.92252021393911 0.69140451405666 15.999 > 16 64 O 0.84902429053254 0.92252021393911 0.69140451405666 15.999 > 16 65 O 0.11517676006923 0.45207752293304 0.53162870485054 15.999 > 17 66 O 0.61517676006923 0.45207752293304 0.53162870485054 15.999 > 17 67 O 0.11517676006923 0.95207752293304 0.53162870485054 15.999 > 17 68 O 0.61517676006923 0.95207752293304 0.53162870485054 15.999 > 17 *69 O 0.10554918958247 0.45457715140459 0.81993858704296 15.999 > 18 70 O 0.60554918958247 0.45457715140459 0.81993858704296 15.999 > 18 71 O 0.10554918958247 0.95457715140459 0.81993858704296 15.999 > 18 72 O 0.60554918958247 0.95457715140459 0.81993858704296 15.999 > 18 *73 O 0.17284207463991 0.13864680559605 0.55542908912977 15.999 > 19 74 O 0.67284207463991 0.13864680559605 0.55542908912977 15.999 > 19 75 O 0.17284207463991 0.63864680559605 0.55542908912977 15.999 > 19 76 O 0.67284207463991 0.63864680559605 0.55542908912977 15.999 > 19 77 O 0.33566487482571 0.05274112857071 0.84893530213121 15.999 > 20 78 O 0.83566487482571 0.05274112857071 0.84893530213121 15.999 > 20 79 O 0.33566487482571 0.55274112857071 0.84893530213121 15.999 > 20 80 O 0.83566487482571 0.55274112857071 0.84893530213121 15.999 > 20 81 O 0.33566487482571 0.19725887142929 0.34893530213121 15.999 > 21 82 O 0.83566487482571 0.19725887142929 0.34893530213121 15.999 > 21 83 O 0.33566487482571 0.69725887142929 0.34893530213121 15.999 > 21 84 O 0.83566487482571 0.69725887142929 0.34893530213121 15.999 > 21 85 O 0.17284207463991 0.11135319440395 0.05542908912977 15.999 > 22 86 O 0.67284207463991 0.11135319440395 0.05542908912977 15.999 > 22 87 O 0.17284207463991 0.61135319440395 0.05542908912977 15.999 > 22 88 O 0.67284207463991 0.61135319440395 0.05542908912977 15.999 > 22 89 O 0.39445081041753 0.04542284859541 0.18006141295704 15.999 > 23 90 O 0.89445081041753 0.04542284859541 0.18006141295704 15.999 > 23 91 O 0.39445081041753 0.54542284859541 0.18006141295704 15.999 > 23 92 O 0.89445081041753 0.54542284859541 0.18006141295704 15.999 > 23 93 O 0.39445081041753 0.20457715140459 0.68006141295704 15.999 > 24 94 O 0.89445081041753 0.20457715140459 0.68006141295704 15.999 > 24 95 O 0.39445081041753 0.70457715140459 0.68006141295704 15.999 > 24 96 O 0.89445081041753 0.70457715140459 0.68006141295704 15.999 > 24 97 O 0.32715792536009 0.36135319440395 0.44457091087023 15.999 > 25 98 O 0.82715792536009 0.36135319440395 0.44457091087023 15.999 > 25 99 O 0.32715792536009 0.86135319440395 0.44457091087023 15.999 > 25 100 O 0.82715792536009 0.86135319440395 0.44457091087023 15.999 > 25 101 O 0.15097570946746 0.17252021393911 0.80859548594334 15.999 > 26 102 O 0.65097570946746 0.17252021393911 0.80859548594334 15.999 > 26 103 O 0.15097570946746 0.67252021393911 0.80859548594334 15.999 > 26 104 O 0.65097570946746 0.67252021393911 0.80859548594334 15.999 > 26 105 O 0.15097570946746 0.07747978606089 0.30859548594334 15.999 > 27 106 O 0.65097570946746 0.07747978606089 0.30859548594334 15.999 > 27 107 O 0.15097570946746 0.57747978606089 0.30859548594334 15.999 > 27 108 O 0.65097570946746 0.57747978606089 0.30859548594334 15.999 > 27 109 O 0.34902429053254 0.32747978606089 0.19140451405666 15.999 > 28 110 O 0.84902429053254 0.32747978606089 0.19140451405666 15.999 > 28 111 O 0.34902429053254 0.82747978606089 0.19140451405666 15.999 > 28 112 O 0.84902429053254 0.82747978606089 0.19140451405666 15.999 > 28 113 O 0.38482323993077 0.04792247706696 0.46837129514946 15.999 > 29 114 O 0.88482323993077 0.04792247706696 0.46837129514946 15.999 > 29 115 O 0.38482323993077 0.54792247706696 0.46837129514946 15.999 > 29 116 O 0.88482323993077 0.54792247706696 0.46837129514946 15.999 > 29 117 O 0.32715792536009 0.38864680559605 0.94457091087023 15.999 > 30 118 O 0.82715792536009 0.38864680559605 0.94457091087023 15.999 > 30 119 O 0.32715792536009 0.88864680559605 0.94457091087023 15.999 > 30 120 O 0.82715792536009 0.88864680559605 0.94457091087023 15.999 > 30 121 O 0.10554918958247 0.29542284859541 0.31993858704297 15.999 > 31 122 O 0.60554918958247 0.29542284859541 0.31993858704297 15.999 > 31 123 O 0.10554918958247 0.79542284859541 0.31993858704297 15.999 > 31 124 O 0.60554918958247 0.79542284859541 0.31993858704297 15.999 > 31 125 O 0.11517676006923 0.29792247706696 0.03162870485054 15.999 > 32 126 O 0.61517676006923 0.29792247706696 0.03162870485054 15.999 > 32 127 O 0.11517676006923 0.79792247706696 0.03162870485054 15.999 > 32 128 O 0.61517676006923 0.79792247706696 0.03162870485054 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0364502 0.0000000 -0.0583584 0.0000000 4.0154672 0.0000000 -0.0583574 0.0000000 4.0004540 -------------------------- Born effective charges -------------------------- 1 Hf 4.8162649 0.0700735 -0.2327064 -0.1065944 4.8385700 -0.1090250 -0.3157557 0.3276335 4.8024981 2 Hf 4.8162649 0.0700735 -0.2327064 -0.1065944 4.8385700 -0.1090250 -0.3157557 0.3276335 4.8024981 3 Hf 4.8162649 -0.0700735 -0.2327064 0.1065944 4.8385700 0.1090250 -0.3157557 -0.3276335 4.8024981 4 Hf 4.8162649 -0.0700735 -0.2327064 0.1065944 4.8385700 0.1090250 -0.3157557 -0.3276335 4.8024981 5 B 2.7180417 -0.0683531 -0.0272869 -0.1008359 2.5103566 0.2069465 0.2129429 0.2239631 2.0636124 6 B 2.7180417 -0.0683531 -0.0272869 -0.1008359 2.5103566 0.2069465 0.2129429 0.2239631 2.0636124 7 B 2.7180417 0.0683531 -0.0272869 0.1008359 2.5103566 -0.2069465 0.2129429 -0.2239631 2.0636124 8 B 2.8090705 0.1674899 0.0938953 0.0313184 2.4351738 0.3604256 -0.0069267 0.4011224 2.9189196 9 B 2.7180417 0.0683531 -0.0272869 0.1008359 2.5103566 -0.2069465 0.2129429 -0.2239631 2.0636124 10 B 2.8090705 0.1674899 0.0938953 0.0313184 2.4351738 0.3604256 -0.0069267 0.4011224 2.9189196 11 B 2.8090705 -0.1674899 0.0938953 -0.0313184 2.4351738 -0.3604256 -0.0069267 -0.4011224 2.9189196 12 B 2.8090705 -0.1674899 0.0938953 -0.0313184 2.4351738 -0.3604256 -0.0069267 -0.4011224 2.9189196 13 O -1.7886062 -0.0661601 0.5921383 -0.0007988 -2.3370664 -0.4385932 0.5490724 -0.4349723 -1.7457742 14 O -2.1011443 -0.6813731 -0.4016429 -0.6687223 -1.7000390 0.0712335 -0.4036451 0.2775266 -2.4355257 15 O -1.7886062 0.0661601 0.5921383 0.0007988 -2.3370664 0.4385932 0.5490724 0.4349723 -1.7457742 16 O -2.0117868 -0.2041905 -0.2048187 -0.1516583 -1.8042554 -0.0451720 -0.1557296 0.1202087 -1.9649828 17 O -2.1011443 0.6813731 -0.4016429 0.6687223 -1.7000390 -0.0712335 -0.4036451 -0.2775266 -2.4355257 18 O -2.5045526 -0.0434884 -0.3972127 -0.0461442 -2.2485079 0.5310655 -0.2867186 0.5909662 -1.3979020 19 O -1.9372871 -0.4084387 0.5776340 -0.4224915 -1.6942317 -0.2867816 0.4067603 -0.3571906 -2.2408455 20 O -1.7886062 -0.0661601 0.5921383 -0.0007988 -2.3370664 -0.4385932 0.5490724 -0.4349723 -1.7457742 21 O -1.7886062 0.0661601 0.5921383 0.0007988 -2.3370664 0.4385932 0.5490724 0.4349723 -1.7457742 22 O -1.9372871 0.4084387 0.5776340 0.4224915 -1.6942317 0.2867816 0.4067603 0.3571906 -2.2408455 23 O -2.5045526 -0.0434884 -0.3972127 -0.0461442 -2.2485079 0.5310655 -0.2867186 0.5909662 -1.3979020 24 O -2.5045526 0.0434884 -0.3972127 0.0461442 -2.2485079 -0.5310655 -0.2867186 -0.5909662 -1.3979020 25 O -1.9372871 -0.4084387 0.5776340 -0.4224915 -1.6942317 -0.2867816 0.4067603 -0.3571906 -2.2408455 26 O -2.0117868 0.2041905 -0.2048187 0.1516583 -1.8042554 0.0451720 -0.1557296 -0.1202087 -1.9649828 27 O -2.0117868 -0.2041905 -0.2048187 -0.1516583 -1.8042554 -0.0451720 -0.1557296 0.1202087 -1.9649828 28 O -2.0117868 0.2041905 -0.2048187 0.1516583 -1.8042554 0.0451720 -0.1557296 -0.1202087 -1.9649828 29 O -2.1011443 0.6813731 -0.4016429 0.6687223 -1.7000390 -0.0712335 -0.4036451 -0.2775266 -2.4355257 30 O -1.9372871 0.4084387 0.5776340 0.4224915 -1.6942317 0.2867816 0.4067603 0.3571906 -2.2408455 31 O -2.5045526 0.0434884 -0.3972127 0.0461442 -2.2485079 -0.5310655 -0.2867186 -0.5909662 -1.3979020 32 O -2.1011443 -0.6813731 -0.4016429 -0.6687223 -1.7000390 0.0712335 -0.4036451 0.2775266 -2.4355257 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 10), data: (524, 24) @ (24, 10) |-- (274, 264), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 10), data: (524, 24) @ (24, 10) |-- (274, 264), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 960 - Time: 1.562 Solver_block: 200 / 960 - Time: 1.459 Solver_block: 300 / 960 - Time: 1.460 Solver_block: 400 / 960 - Time: 1.460 Solver_block: 500 / 960 - Time: 1.461 Solver_block: 600 / 960 - Time: 1.457 Solver_block: 700 / 960 - Time: 1.460 Solver_block: 800 / 960 - Time: 1.462 Solver_block: 900 / 960 - Time: 1.462 Solver_block: 960 / 960 - Time: 0.946 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.550 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 10), data: (524, 24) @ (24, 10) |-- (274, 264), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 10), data: (524, 24) @ (24, 10) |-- (274, 264), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:04:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:04:26]------------------------- Compiled with OpenMP support (max 32 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 4.368626020004687 0.000000000000000 0.000000000000000 b 0.000000000000000 6.884736210000000 0.000000000000000 c -0.096257983045158 0.000000000000000 8.957761888992483 Atomic positions (fractional): 1 Hf 0.00070687087731 0.11194837091245 0.67060447411220 178.490 2 Hf 0.99929312912269 0.88805162908755 0.32939552588780 178.490 3 Hf 0.00070687087731 0.38805162908755 0.17060447411220 178.490 4 Hf 0.99929312912269 0.61194837091245 0.82939552588780 178.490 5 B 0.46391801538202 0.41280391291230 0.66720199969200 10.811 6 B 0.53608198461798 0.58719608708770 0.33279800030800 10.811 7 B 0.53608198461798 0.91280391291230 0.83279800030800 10.811 8 B 0.52666121177879 0.27168931697513 0.92376662528681 10.811 9 B 0.46391801538202 0.08719608708770 0.16720199969200 10.811 10 B 0.47333878822121 0.72831068302487 0.07623337471319 10.811 11 B 0.52666121177879 0.22831068302487 0.42376662528682 10.811 12 B 0.47333878822121 0.77168931697513 0.57623337471319 10.811 13 O 0.32867025034858 0.89451774285857 0.15106469786879 15.999 14 O 0.76964647986155 0.40415504586609 0.96837129514946 15.999 15 O 0.32867025034858 0.60548225714143 0.65106469786879 15.999 16 O 0.69804858106509 0.84504042787821 0.69140451405666 15.999 17 O 0.23035352013845 0.90415504586609 0.53162870485054 15.999 18 O 0.21109837916494 0.90915430280917 0.81993858704296 15.999 19 O 0.34568414927982 0.27729361119211 0.55542908912977 15.999 20 O 0.67132974965142 0.10548225714143 0.84893530213121 15.999 21 O 0.67132974965142 0.39451774285857 0.34893530213121 15.999 22 O 0.34568414927982 0.22270638880789 0.05542908912977 15.999 23 O 0.78890162083506 0.09084569719083 0.18006141295704 15.999 24 O 0.78890162083506 0.40915430280917 0.68006141295704 15.999 25 O 0.65431585072018 0.72270638880789 0.44457091087023 15.999 26 O 0.30195141893491 0.34504042787821 0.80859548594334 15.999 27 O 0.30195141893491 0.15495957212179 0.30859548594334 15.999 28 O 0.69804858106509 0.65495957212179 0.19140451405666 15.999 29 O 0.76964647986155 0.09584495413391 0.46837129514946 15.999 30 O 0.65431585072018 0.77729361119211 0.94457091087023 15.999 31 O 0.21109837916494 0.59084569719083 0.31993858704297 15.999 32 O 0.23035352013845 0.59584495413391 0.03162870485054 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.737252040009373 0.000000000000000 0.000000000000000 b 0.000000000000000 13.769472420000000 0.000000000000000 c -0.096257983045158 0.000000000000000 8.957761888992483 Atomic positions (fractional): 1 Hf 0.00035343543866 0.05597418545623 0.67060447411220 178.490 > 1 2 Hf 0.50035343543866 0.05597418545623 0.67060447411220 178.490 > 1 3 Hf 0.00035343543866 0.55597418545623 0.67060447411220 178.490 > 1 4 Hf 0.50035343543866 0.55597418545623 0.67060447411220 178.490 > 1 5 Hf 0.49964656456134 0.44402581454377 0.32939552588780 178.490 > 5 6 Hf 0.99964656456134 0.44402581454377 0.32939552588780 178.490 > 5 7 Hf 0.49964656456134 0.94402581454377 0.32939552588780 178.490 > 5 8 Hf 0.99964656456134 0.94402581454377 0.32939552588780 178.490 > 5 9 Hf 0.00035343543866 0.19402581454377 0.17060447411220 178.490 > 9 10 Hf 0.50035343543866 0.19402581454377 0.17060447411220 178.490 > 9 11 Hf 0.00035343543866 0.69402581454377 0.17060447411220 178.490 > 9 12 Hf 0.50035343543866 0.69402581454377 0.17060447411220 178.490 > 9 13 Hf 0.49964656456134 0.30597418545623 0.82939552588780 178.490 > 13 14 Hf 0.99964656456134 0.30597418545623 0.82939552588780 178.490 > 13 15 Hf 0.49964656456134 0.80597418545623 0.82939552588780 178.490 > 13 16 Hf 0.99964656456134 0.80597418545623 0.82939552588780 178.490 > 13 17 B 0.23195900769101 0.20640195645615 0.66720199969200 10.811 > 17 18 B 0.73195900769101 0.20640195645615 0.66720199969200 10.811 > 17 19 B 0.23195900769101 0.70640195645615 0.66720199969200 10.811 > 17 20 B 0.73195900769101 0.70640195645615 0.66720199969200 10.811 > 17 21 B 0.26804099230899 0.29359804354385 0.33279800030800 10.811 > 21 22 B 0.76804099230899 0.29359804354385 0.33279800030800 10.811 > 21 23 B 0.26804099230899 0.79359804354385 0.33279800030800 10.811 > 21 24 B 0.76804099230899 0.79359804354385 0.33279800030800 10.811 > 21 25 B 0.26804099230899 0.45640195645615 0.83279800030800 10.811 > 25 26 B 0.76804099230899 0.45640195645615 0.83279800030800 10.811 > 25 27 B 0.26804099230899 0.95640195645615 0.83279800030800 10.811 > 25 28 B 0.76804099230899 0.95640195645615 0.83279800030800 10.811 > 25 29 B 0.26333060588939 0.13584465848757 0.92376662528681 10.811 > 29 30 B 0.76333060588939 0.13584465848757 0.92376662528681 10.811 > 29 31 B 0.26333060588939 0.63584465848757 0.92376662528681 10.811 > 29 32 B 0.76333060588939 0.63584465848757 0.92376662528681 10.811 > 29 33 B 0.23195900769101 0.04359804354385 0.16720199969200 10.811 > 33 34 B 0.73195900769101 0.04359804354385 0.16720199969200 10.811 > 33 35 B 0.23195900769101 0.54359804354385 0.16720199969200 10.811 > 33 36 B 0.73195900769101 0.54359804354385 0.16720199969200 10.811 > 33 37 B 0.23666939411061 0.36415534151243 0.07623337471319 10.811 > 37 38 B 0.73666939411061 0.36415534151243 0.07623337471319 10.811 > 37 39 B 0.23666939411061 0.86415534151243 0.07623337471319 10.811 > 37 40 B 0.73666939411061 0.86415534151243 0.07623337471319 10.811 > 37 41 B 0.26333060588939 0.11415534151243 0.42376662528682 10.811 > 41 42 B 0.76333060588939 0.11415534151243 0.42376662528682 10.811 > 41 43 B 0.26333060588939 0.61415534151243 0.42376662528682 10.811 > 41 44 B 0.76333060588939 0.61415534151243 0.42376662528682 10.811 > 41 45 B 0.23666939411061 0.38584465848757 0.57623337471319 10.811 > 45 46 B 0.73666939411061 0.38584465848757 0.57623337471319 10.811 > 45 47 B 0.23666939411061 0.88584465848757 0.57623337471319 10.811 > 45 48 B 0.73666939411061 0.88584465848757 0.57623337471319 10.811 > 45 49 O 0.16433512517429 0.44725887142929 0.15106469786879 15.999 > 49 50 O 0.66433512517429 0.44725887142929 0.15106469786879 15.999 > 49 51 O 0.16433512517429 0.94725887142929 0.15106469786879 15.999 > 49 52 O 0.66433512517429 0.94725887142929 0.15106469786879 15.999 > 49 53 O 0.38482323993077 0.20207752293304 0.96837129514946 15.999 > 53 54 O 0.88482323993077 0.20207752293304 0.96837129514946 15.999 > 53 55 O 0.38482323993077 0.70207752293304 0.96837129514946 15.999 > 53 56 O 0.88482323993077 0.70207752293304 0.96837129514946 15.999 > 53 57 O 0.16433512517429 0.30274112857071 0.65106469786879 15.999 > 57 58 O 0.66433512517429 0.30274112857071 0.65106469786879 15.999 > 57 59 O 0.16433512517429 0.80274112857071 0.65106469786879 15.999 > 57 60 O 0.66433512517429 0.80274112857071 0.65106469786879 15.999 > 57 61 O 0.34902429053254 0.42252021393911 0.69140451405666 15.999 > 61 62 O 0.84902429053254 0.42252021393911 0.69140451405666 15.999 > 61 63 O 0.34902429053254 0.92252021393911 0.69140451405666 15.999 > 61 64 O 0.84902429053254 0.92252021393911 0.69140451405666 15.999 > 61 65 O 0.11517676006923 0.45207752293304 0.53162870485054 15.999 > 65 66 O 0.61517676006923 0.45207752293304 0.53162870485054 15.999 > 65 67 O 0.11517676006923 0.95207752293304 0.53162870485054 15.999 > 65 68 O 0.61517676006923 0.95207752293304 0.53162870485054 15.999 > 65 69 O 0.10554918958247 0.45457715140459 0.81993858704296 15.999 > 69 70 O 0.60554918958247 0.45457715140459 0.81993858704296 15.999 > 69 71 O 0.10554918958247 0.95457715140459 0.81993858704296 15.999 > 69 72 O 0.60554918958247 0.95457715140459 0.81993858704296 15.999 > 69 73 O 0.17284207463991 0.13864680559605 0.55542908912977 15.999 > 73 74 O 0.67284207463991 0.13864680559605 0.55542908912977 15.999 > 73 75 O 0.17284207463991 0.63864680559605 0.55542908912977 15.999 > 73 76 O 0.67284207463991 0.63864680559605 0.55542908912977 15.999 > 73 77 O 0.33566487482571 0.05274112857071 0.84893530213121 15.999 > 77 78 O 0.83566487482571 0.05274112857071 0.84893530213121 15.999 > 77 79 O 0.33566487482571 0.55274112857071 0.84893530213121 15.999 > 77 80 O 0.83566487482571 0.55274112857071 0.84893530213121 15.999 > 77 81 O 0.33566487482571 0.19725887142929 0.34893530213121 15.999 > 81 82 O 0.83566487482571 0.19725887142929 0.34893530213121 15.999 > 81 83 O 0.33566487482571 0.69725887142929 0.34893530213121 15.999 > 81 84 O 0.83566487482571 0.69725887142929 0.34893530213121 15.999 > 81 85 O 0.17284207463991 0.11135319440395 0.05542908912977 15.999 > 85 86 O 0.67284207463991 0.11135319440395 0.05542908912977 15.999 > 85 87 O 0.17284207463991 0.61135319440395 0.05542908912977 15.999 > 85 88 O 0.67284207463991 0.61135319440395 0.05542908912977 15.999 > 85 89 O 0.39445081041753 0.04542284859541 0.18006141295704 15.999 > 89 90 O 0.89445081041753 0.04542284859541 0.18006141295704 15.999 > 89 91 O 0.39445081041753 0.54542284859541 0.18006141295704 15.999 > 89 92 O 0.89445081041753 0.54542284859541 0.18006141295704 15.999 > 89 93 O 0.39445081041753 0.20457715140459 0.68006141295704 15.999 > 93 94 O 0.89445081041753 0.20457715140459 0.68006141295704 15.999 > 93 95 O 0.39445081041753 0.70457715140459 0.68006141295704 15.999 > 93 96 O 0.89445081041753 0.70457715140459 0.68006141295704 15.999 > 93 97 O 0.32715792536009 0.36135319440395 0.44457091087023 15.999 > 97 98 O 0.82715792536009 0.36135319440395 0.44457091087023 15.999 > 97 99 O 0.32715792536009 0.86135319440395 0.44457091087023 15.999 > 97 100 O 0.82715792536009 0.86135319440395 0.44457091087023 15.999 > 97 101 O 0.15097570946746 0.17252021393911 0.80859548594334 15.999 > 101 102 O 0.65097570946746 0.17252021393911 0.80859548594334 15.999 > 101 103 O 0.15097570946746 0.67252021393911 0.80859548594334 15.999 > 101 104 O 0.65097570946746 0.67252021393911 0.80859548594334 15.999 > 101 105 O 0.15097570946746 0.07747978606089 0.30859548594334 15.999 > 105 106 O 0.65097570946746 0.07747978606089 0.30859548594334 15.999 > 105 107 O 0.15097570946746 0.57747978606089 0.30859548594334 15.999 > 105 108 O 0.65097570946746 0.57747978606089 0.30859548594334 15.999 > 105 109 O 0.34902429053254 0.32747978606089 0.19140451405666 15.999 > 109 110 O 0.84902429053254 0.32747978606089 0.19140451405666 15.999 > 109 111 O 0.34902429053254 0.82747978606089 0.19140451405666 15.999 > 109 112 O 0.84902429053254 0.82747978606089 0.19140451405666 15.999 > 109 113 O 0.38482323993077 0.04792247706696 0.46837129514946 15.999 > 113 114 O 0.88482323993077 0.04792247706696 0.46837129514946 15.999 > 113 115 O 0.38482323993077 0.54792247706696 0.46837129514946 15.999 > 113 116 O 0.88482323993077 0.54792247706696 0.46837129514946 15.999 > 113 117 O 0.32715792536009 0.38864680559605 0.94457091087023 15.999 > 117 118 O 0.82715792536009 0.38864680559605 0.94457091087023 15.999 > 117 119 O 0.32715792536009 0.88864680559605 0.94457091087023 15.999 > 117 120 O 0.82715792536009 0.88864680559605 0.94457091087023 15.999 > 117 121 O 0.10554918958247 0.29542284859541 0.31993858704297 15.999 > 121 122 O 0.60554918958247 0.29542284859541 0.31993858704297 15.999 > 121 123 O 0.10554918958247 0.79542284859541 0.31993858704297 15.999 > 121 124 O 0.60554918958247 0.79542284859541 0.31993858704297 15.999 > 121 125 O 0.11517676006923 0.29792247706696 0.03162870485054 15.999 > 125 126 O 0.61517676006923 0.29792247706696 0.03162870485054 15.999 > 125 127 O 0.11517676006923 0.79792247706696 0.03162870485054 15.999 > 125 128 O 0.61517676006923 0.79792247706696 0.03162870485054 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0364502 0.0000000 -0.0583584 0.0000000 4.0154672 0.0000000 -0.0583574 0.0000000 4.0004540 -------------------------- Born effective charges -------------------------- 1 Hf 4.8162649 0.0700735 -0.2327064 -0.1065944 4.8385700 -0.1090250 -0.3157557 0.3276335 4.8024981 2 Hf 4.8162649 0.0700735 -0.2327064 -0.1065944 4.8385700 -0.1090250 -0.3157557 0.3276335 4.8024981 3 Hf 4.8162649 -0.0700735 -0.2327064 0.1065944 4.8385700 0.1090250 -0.3157557 -0.3276335 4.8024981 4 Hf 4.8162649 -0.0700735 -0.2327064 0.1065944 4.8385700 0.1090250 -0.3157557 -0.3276335 4.8024981 5 B 2.7180417 -0.0683531 -0.0272869 -0.1008359 2.5103566 0.2069465 0.2129429 0.2239631 2.0636124 6 B 2.7180417 -0.0683531 -0.0272869 -0.1008359 2.5103566 0.2069465 0.2129429 0.2239631 2.0636124 7 B 2.7180417 0.0683531 -0.0272869 0.1008359 2.5103566 -0.2069465 0.2129429 -0.2239631 2.0636124 8 B 2.8090705 0.1674899 0.0938953 0.0313184 2.4351738 0.3604256 -0.0069267 0.4011224 2.9189196 9 B 2.7180417 0.0683531 -0.0272869 0.1008359 2.5103566 -0.2069465 0.2129429 -0.2239631 2.0636124 10 B 2.8090705 0.1674899 0.0938953 0.0313184 2.4351738 0.3604256 -0.0069267 0.4011224 2.9189196 11 B 2.8090705 -0.1674899 0.0938953 -0.0313184 2.4351738 -0.3604256 -0.0069267 -0.4011224 2.9189196 12 B 2.8090705 -0.1674899 0.0938953 -0.0313184 2.4351738 -0.3604256 -0.0069267 -0.4011224 2.9189196 13 O -1.7886062 -0.0661601 0.5921383 -0.0007988 -2.3370664 -0.4385932 0.5490724 -0.4349723 -1.7457742 14 O -2.1011443 -0.6813731 -0.4016429 -0.6687223 -1.7000390 0.0712335 -0.4036451 0.2775266 -2.4355257 15 O -1.7886062 0.0661601 0.5921383 0.0007988 -2.3370664 0.4385932 0.5490724 0.4349723 -1.7457742 16 O -2.0117868 -0.2041905 -0.2048187 -0.1516583 -1.8042554 -0.0451720 -0.1557296 0.1202087 -1.9649828 17 O -2.1011443 0.6813731 -0.4016429 0.6687223 -1.7000390 -0.0712335 -0.4036451 -0.2775266 -2.4355257 18 O -2.5045526 -0.0434884 -0.3972127 -0.0461442 -2.2485079 0.5310655 -0.2867186 0.5909662 -1.3979020 19 O -1.9372871 -0.4084387 0.5776340 -0.4224915 -1.6942317 -0.2867816 0.4067603 -0.3571906 -2.2408455 20 O -1.7886062 -0.0661601 0.5921383 -0.0007988 -2.3370664 -0.4385932 0.5490724 -0.4349723 -1.7457742 21 O -1.7886062 0.0661601 0.5921383 0.0007988 -2.3370664 0.4385932 0.5490724 0.4349723 -1.7457742 22 O -1.9372871 0.4084387 0.5776340 0.4224915 -1.6942317 0.2867816 0.4067603 0.3571906 -2.2408455 23 O -2.5045526 -0.0434884 -0.3972127 -0.0461442 -2.2485079 0.5310655 -0.2867186 0.5909662 -1.3979020 24 O -2.5045526 0.0434884 -0.3972127 0.0461442 -2.2485079 -0.5310655 -0.2867186 -0.5909662 -1.3979020 25 O -1.9372871 -0.4084387 0.5776340 -0.4224915 -1.6942317 -0.2867816 0.4067603 -0.3571906 -2.2408455 26 O -2.0117868 0.2041905 -0.2048187 0.1516583 -1.8042554 0.0451720 -0.1557296 -0.1202087 -1.9649828 27 O -2.0117868 -0.2041905 -0.2048187 -0.1516583 -1.8042554 -0.0451720 -0.1557296 0.1202087 -1.9649828 28 O -2.0117868 0.2041905 -0.2048187 0.1516583 -1.8042554 0.0451720 -0.1557296 -0.1202087 -1.9649828 29 O -2.1011443 0.6813731 -0.4016429 0.6687223 -1.7000390 -0.0712335 -0.4036451 -0.2775266 -2.4355257 30 O -1.9372871 0.4084387 0.5776340 0.4224915 -1.6942317 0.2867816 0.4067603 0.3571906 -2.2408455 31 O -2.5045526 0.0434884 -0.3972127 0.0461442 -2.2485079 -0.5310655 -0.2867186 -0.5909662 -1.3979020 32 O -2.1011443 -0.6813731 -0.4016429 -0.6687223 -1.7000390 0.0712335 -0.4036451 0.2775266 -2.4355257 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 29, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 61, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) 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 15:05:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:05:17]------------------------- Compiled with OpenMP support (max 32 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 4.368626020004687 0.000000000000000 0.000000000000000 b 0.000000000000000 6.884736210000000 0.000000000000000 c -0.096257983045158 0.000000000000000 8.957761888992483 Atomic positions (fractional): 1 Hf 0.00070687087731 0.11194837091245 0.67060447411220 178.490 2 Hf 0.99929312912269 0.88805162908755 0.32939552588780 178.490 3 Hf 0.00070687087731 0.38805162908755 0.17060447411220 178.490 4 Hf 0.99929312912269 0.61194837091245 0.82939552588780 178.490 5 B 0.46391801538202 0.41280391291230 0.66720199969200 10.811 6 B 0.53608198461798 0.58719608708770 0.33279800030800 10.811 7 B 0.53608198461798 0.91280391291230 0.83279800030800 10.811 8 B 0.52666121177879 0.27168931697513 0.92376662528681 10.811 9 B 0.46391801538202 0.08719608708770 0.16720199969200 10.811 10 B 0.47333878822121 0.72831068302487 0.07623337471319 10.811 11 B 0.52666121177879 0.22831068302487 0.42376662528682 10.811 12 B 0.47333878822121 0.77168931697513 0.57623337471319 10.811 13 O 0.32867025034858 0.89451774285857 0.15106469786879 15.999 14 O 0.76964647986155 0.40415504586609 0.96837129514946 15.999 15 O 0.32867025034858 0.60548225714143 0.65106469786879 15.999 16 O 0.69804858106509 0.84504042787821 0.69140451405666 15.999 17 O 0.23035352013845 0.90415504586609 0.53162870485054 15.999 18 O 0.21109837916494 0.90915430280917 0.81993858704296 15.999 19 O 0.34568414927982 0.27729361119211 0.55542908912977 15.999 20 O 0.67132974965142 0.10548225714143 0.84893530213121 15.999 21 O 0.67132974965142 0.39451774285857 0.34893530213121 15.999 22 O 0.34568414927982 0.22270638880789 0.05542908912977 15.999 23 O 0.78890162083506 0.09084569719083 0.18006141295704 15.999 24 O 0.78890162083506 0.40915430280917 0.68006141295704 15.999 25 O 0.65431585072018 0.72270638880789 0.44457091087023 15.999 26 O 0.30195141893491 0.34504042787821 0.80859548594334 15.999 27 O 0.30195141893491 0.15495957212179 0.30859548594334 15.999 28 O 0.69804858106509 0.65495957212179 0.19140451405666 15.999 29 O 0.76964647986155 0.09584495413391 0.46837129514946 15.999 30 O 0.65431585072018 0.77729361119211 0.94457091087023 15.999 31 O 0.21109837916494 0.59084569719083 0.31993858704297 15.999 32 O 0.23035352013845 0.59584495413391 0.03162870485054 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.737252040009373 0.000000000000000 0.000000000000000 b 0.000000000000000 13.769472420000000 0.000000000000000 c -0.096257983045158 0.000000000000000 8.957761888992483 Atomic positions (fractional): 1 Hf 0.00035343543866 0.05597418545623 0.67060447411220 178.490 > 1 2 Hf 0.50035343543866 0.05597418545623 0.67060447411220 178.490 > 1 3 Hf 0.00035343543866 0.55597418545623 0.67060447411220 178.490 > 1 4 Hf 0.50035343543866 0.55597418545623 0.67060447411220 178.490 > 1 5 Hf 0.49964656456134 0.44402581454377 0.32939552588780 178.490 > 5 6 Hf 0.99964656456134 0.44402581454377 0.32939552588780 178.490 > 5 7 Hf 0.49964656456134 0.94402581454377 0.32939552588780 178.490 > 5 8 Hf 0.99964656456134 0.94402581454377 0.32939552588780 178.490 > 5 9 Hf 0.00035343543866 0.19402581454377 0.17060447411220 178.490 > 9 10 Hf 0.50035343543866 0.19402581454377 0.17060447411220 178.490 > 9 11 Hf 0.00035343543866 0.69402581454377 0.17060447411220 178.490 > 9 12 Hf 0.50035343543866 0.69402581454377 0.17060447411220 178.490 > 9 13 Hf 0.49964656456134 0.30597418545623 0.82939552588780 178.490 > 13 14 Hf 0.99964656456134 0.30597418545623 0.82939552588780 178.490 > 13 15 Hf 0.49964656456134 0.80597418545623 0.82939552588780 178.490 > 13 16 Hf 0.99964656456134 0.80597418545623 0.82939552588780 178.490 > 13 17 B 0.23195900769101 0.20640195645615 0.66720199969200 10.811 > 17 18 B 0.73195900769101 0.20640195645615 0.66720199969200 10.811 > 17 19 B 0.23195900769101 0.70640195645615 0.66720199969200 10.811 > 17 20 B 0.73195900769101 0.70640195645615 0.66720199969200 10.811 > 17 21 B 0.26804099230899 0.29359804354385 0.33279800030800 10.811 > 21 22 B 0.76804099230899 0.29359804354385 0.33279800030800 10.811 > 21 23 B 0.26804099230899 0.79359804354385 0.33279800030800 10.811 > 21 24 B 0.76804099230899 0.79359804354385 0.33279800030800 10.811 > 21 25 B 0.26804099230899 0.45640195645615 0.83279800030800 10.811 > 25 26 B 0.76804099230899 0.45640195645615 0.83279800030800 10.811 > 25 27 B 0.26804099230899 0.95640195645615 0.83279800030800 10.811 > 25 28 B 0.76804099230899 0.95640195645615 0.83279800030800 10.811 > 25 29 B 0.26333060588939 0.13584465848757 0.92376662528681 10.811 > 29 30 B 0.76333060588939 0.13584465848757 0.92376662528681 10.811 > 29 31 B 0.26333060588939 0.63584465848757 0.92376662528681 10.811 > 29 32 B 0.76333060588939 0.63584465848757 0.92376662528681 10.811 > 29 33 B 0.23195900769101 0.04359804354385 0.16720199969200 10.811 > 33 34 B 0.73195900769101 0.04359804354385 0.16720199969200 10.811 > 33 35 B 0.23195900769101 0.54359804354385 0.16720199969200 10.811 > 33 36 B 0.73195900769101 0.54359804354385 0.16720199969200 10.811 > 33 37 B 0.23666939411061 0.36415534151243 0.07623337471319 10.811 > 37 38 B 0.73666939411061 0.36415534151243 0.07623337471319 10.811 > 37 39 B 0.23666939411061 0.86415534151243 0.07623337471319 10.811 > 37 40 B 0.73666939411061 0.86415534151243 0.07623337471319 10.811 > 37 41 B 0.26333060588939 0.11415534151243 0.42376662528682 10.811 > 41 42 B 0.76333060588939 0.11415534151243 0.42376662528682 10.811 > 41 43 B 0.26333060588939 0.61415534151243 0.42376662528682 10.811 > 41 44 B 0.76333060588939 0.61415534151243 0.42376662528682 10.811 > 41 45 B 0.23666939411061 0.38584465848757 0.57623337471319 10.811 > 45 46 B 0.73666939411061 0.38584465848757 0.57623337471319 10.811 > 45 47 B 0.23666939411061 0.88584465848757 0.57623337471319 10.811 > 45 48 B 0.73666939411061 0.88584465848757 0.57623337471319 10.811 > 45 49 O 0.16433512517429 0.44725887142929 0.15106469786879 15.999 > 49 50 O 0.66433512517429 0.44725887142929 0.15106469786879 15.999 > 49 51 O 0.16433512517429 0.94725887142929 0.15106469786879 15.999 > 49 52 O 0.66433512517429 0.94725887142929 0.15106469786879 15.999 > 49 53 O 0.38482323993077 0.20207752293304 0.96837129514946 15.999 > 53 54 O 0.88482323993077 0.20207752293304 0.96837129514946 15.999 > 53 55 O 0.38482323993077 0.70207752293304 0.96837129514946 15.999 > 53 56 O 0.88482323993077 0.70207752293304 0.96837129514946 15.999 > 53 57 O 0.16433512517429 0.30274112857071 0.65106469786879 15.999 > 57 58 O 0.66433512517429 0.30274112857071 0.65106469786879 15.999 > 57 59 O 0.16433512517429 0.80274112857071 0.65106469786879 15.999 > 57 60 O 0.66433512517429 0.80274112857071 0.65106469786879 15.999 > 57 61 O 0.34902429053254 0.42252021393911 0.69140451405666 15.999 > 61 62 O 0.84902429053254 0.42252021393911 0.69140451405666 15.999 > 61 63 O 0.34902429053254 0.92252021393911 0.69140451405666 15.999 > 61 64 O 0.84902429053254 0.92252021393911 0.69140451405666 15.999 > 61 65 O 0.11517676006923 0.45207752293304 0.53162870485054 15.999 > 65 66 O 0.61517676006923 0.45207752293304 0.53162870485054 15.999 > 65 67 O 0.11517676006923 0.95207752293304 0.53162870485054 15.999 > 65 68 O 0.61517676006923 0.95207752293304 0.53162870485054 15.999 > 65 69 O 0.10554918958247 0.45457715140459 0.81993858704296 15.999 > 69 70 O 0.60554918958247 0.45457715140459 0.81993858704296 15.999 > 69 71 O 0.10554918958247 0.95457715140459 0.81993858704296 15.999 > 69 72 O 0.60554918958247 0.95457715140459 0.81993858704296 15.999 > 69 73 O 0.17284207463991 0.13864680559605 0.55542908912977 15.999 > 73 74 O 0.67284207463991 0.13864680559605 0.55542908912977 15.999 > 73 75 O 0.17284207463991 0.63864680559605 0.55542908912977 15.999 > 73 76 O 0.67284207463991 0.63864680559605 0.55542908912977 15.999 > 73 77 O 0.33566487482571 0.05274112857071 0.84893530213121 15.999 > 77 78 O 0.83566487482571 0.05274112857071 0.84893530213121 15.999 > 77 79 O 0.33566487482571 0.55274112857071 0.84893530213121 15.999 > 77 80 O 0.83566487482571 0.55274112857071 0.84893530213121 15.999 > 77 81 O 0.33566487482571 0.19725887142929 0.34893530213121 15.999 > 81 82 O 0.83566487482571 0.19725887142929 0.34893530213121 15.999 > 81 83 O 0.33566487482571 0.69725887142929 0.34893530213121 15.999 > 81 84 O 0.83566487482571 0.69725887142929 0.34893530213121 15.999 > 81 85 O 0.17284207463991 0.11135319440395 0.05542908912977 15.999 > 85 86 O 0.67284207463991 0.11135319440395 0.05542908912977 15.999 > 85 87 O 0.17284207463991 0.61135319440395 0.05542908912977 15.999 > 85 88 O 0.67284207463991 0.61135319440395 0.05542908912977 15.999 > 85 89 O 0.39445081041753 0.04542284859541 0.18006141295704 15.999 > 89 90 O 0.89445081041753 0.04542284859541 0.18006141295704 15.999 > 89 91 O 0.39445081041753 0.54542284859541 0.18006141295704 15.999 > 89 92 O 0.89445081041753 0.54542284859541 0.18006141295704 15.999 > 89 93 O 0.39445081041753 0.20457715140459 0.68006141295704 15.999 > 93 94 O 0.89445081041753 0.20457715140459 0.68006141295704 15.999 > 93 95 O 0.39445081041753 0.70457715140459 0.68006141295704 15.999 > 93 96 O 0.89445081041753 0.70457715140459 0.68006141295704 15.999 > 93 97 O 0.32715792536009 0.36135319440395 0.44457091087023 15.999 > 97 98 O 0.82715792536009 0.36135319440395 0.44457091087023 15.999 > 97 99 O 0.32715792536009 0.86135319440395 0.44457091087023 15.999 > 97 100 O 0.82715792536009 0.86135319440395 0.44457091087023 15.999 > 97 101 O 0.15097570946746 0.17252021393911 0.80859548594334 15.999 > 101 102 O 0.65097570946746 0.17252021393911 0.80859548594334 15.999 > 101 103 O 0.15097570946746 0.67252021393911 0.80859548594334 15.999 > 101 104 O 0.65097570946746 0.67252021393911 0.80859548594334 15.999 > 101 105 O 0.15097570946746 0.07747978606089 0.30859548594334 15.999 > 105 106 O 0.65097570946746 0.07747978606089 0.30859548594334 15.999 > 105 107 O 0.15097570946746 0.57747978606089 0.30859548594334 15.999 > 105 108 O 0.65097570946746 0.57747978606089 0.30859548594334 15.999 > 105 109 O 0.34902429053254 0.32747978606089 0.19140451405666 15.999 > 109 110 O 0.84902429053254 0.32747978606089 0.19140451405666 15.999 > 109 111 O 0.34902429053254 0.82747978606089 0.19140451405666 15.999 > 109 112 O 0.84902429053254 0.82747978606089 0.19140451405666 15.999 > 109 113 O 0.38482323993077 0.04792247706696 0.46837129514946 15.999 > 113 114 O 0.88482323993077 0.04792247706696 0.46837129514946 15.999 > 113 115 O 0.38482323993077 0.54792247706696 0.46837129514946 15.999 > 113 116 O 0.88482323993077 0.54792247706696 0.46837129514946 15.999 > 113 117 O 0.32715792536009 0.38864680559605 0.94457091087023 15.999 > 117 118 O 0.82715792536009 0.38864680559605 0.94457091087023 15.999 > 117 119 O 0.32715792536009 0.88864680559605 0.94457091087023 15.999 > 117 120 O 0.82715792536009 0.88864680559605 0.94457091087023 15.999 > 117 121 O 0.10554918958247 0.29542284859541 0.31993858704297 15.999 > 121 122 O 0.60554918958247 0.29542284859541 0.31993858704297 15.999 > 121 123 O 0.10554918958247 0.79542284859541 0.31993858704297 15.999 > 121 124 O 0.60554918958247 0.79542284859541 0.31993858704297 15.999 > 121 125 O 0.11517676006923 0.29792247706696 0.03162870485054 15.999 > 125 126 O 0.61517676006923 0.29792247706696 0.03162870485054 15.999 > 125 127 O 0.11517676006923 0.79792247706696 0.03162870485054 15.999 > 125 128 O 0.61517676006923 0.79792247706696 0.03162870485054 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0364502 0.0000000 -0.0583584 0.0000000 4.0154672 0.0000000 -0.0583574 0.0000000 4.0004540 -------------------------- Born effective charges -------------------------- 1 Hf 4.8162649 0.0700735 -0.2327064 -0.1065944 4.8385700 -0.1090250 -0.3157557 0.3276335 4.8024981 2 Hf 4.8162649 0.0700735 -0.2327064 -0.1065944 4.8385700 -0.1090250 -0.3157557 0.3276335 4.8024981 3 Hf 4.8162649 -0.0700735 -0.2327064 0.1065944 4.8385700 0.1090250 -0.3157557 -0.3276335 4.8024981 4 Hf 4.8162649 -0.0700735 -0.2327064 0.1065944 4.8385700 0.1090250 -0.3157557 -0.3276335 4.8024981 5 B 2.7180417 -0.0683531 -0.0272869 -0.1008359 2.5103566 0.2069465 0.2129429 0.2239631 2.0636124 6 B 2.7180417 -0.0683531 -0.0272869 -0.1008359 2.5103566 0.2069465 0.2129429 0.2239631 2.0636124 7 B 2.7180417 0.0683531 -0.0272869 0.1008359 2.5103566 -0.2069465 0.2129429 -0.2239631 2.0636124 8 B 2.8090705 0.1674899 0.0938953 0.0313184 2.4351738 0.3604256 -0.0069267 0.4011224 2.9189196 9 B 2.7180417 0.0683531 -0.0272869 0.1008359 2.5103566 -0.2069465 0.2129429 -0.2239631 2.0636124 10 B 2.8090705 0.1674899 0.0938953 0.0313184 2.4351738 0.3604256 -0.0069267 0.4011224 2.9189196 11 B 2.8090705 -0.1674899 0.0938953 -0.0313184 2.4351738 -0.3604256 -0.0069267 -0.4011224 2.9189196 12 B 2.8090705 -0.1674899 0.0938953 -0.0313184 2.4351738 -0.3604256 -0.0069267 -0.4011224 2.9189196 13 O -1.7886062 -0.0661601 0.5921383 -0.0007988 -2.3370664 -0.4385932 0.5490724 -0.4349723 -1.7457742 14 O -2.1011443 -0.6813731 -0.4016429 -0.6687223 -1.7000390 0.0712335 -0.4036451 0.2775266 -2.4355257 15 O -1.7886062 0.0661601 0.5921383 0.0007988 -2.3370664 0.4385932 0.5490724 0.4349723 -1.7457742 16 O -2.0117868 -0.2041905 -0.2048187 -0.1516583 -1.8042554 -0.0451720 -0.1557296 0.1202087 -1.9649828 17 O -2.1011443 0.6813731 -0.4016429 0.6687223 -1.7000390 -0.0712335 -0.4036451 -0.2775266 -2.4355257 18 O -2.5045526 -0.0434884 -0.3972127 -0.0461442 -2.2485079 0.5310655 -0.2867186 0.5909662 -1.3979020 19 O -1.9372871 -0.4084387 0.5776340 -0.4224915 -1.6942317 -0.2867816 0.4067603 -0.3571906 -2.2408455 20 O -1.7886062 -0.0661601 0.5921383 -0.0007988 -2.3370664 -0.4385932 0.5490724 -0.4349723 -1.7457742 21 O -1.7886062 0.0661601 0.5921383 0.0007988 -2.3370664 0.4385932 0.5490724 0.4349723 -1.7457742 22 O -1.9372871 0.4084387 0.5776340 0.4224915 -1.6942317 0.2867816 0.4067603 0.3571906 -2.2408455 23 O -2.5045526 -0.0434884 -0.3972127 -0.0461442 -2.2485079 0.5310655 -0.2867186 0.5909662 -1.3979020 24 O -2.5045526 0.0434884 -0.3972127 0.0461442 -2.2485079 -0.5310655 -0.2867186 -0.5909662 -1.3979020 25 O -1.9372871 -0.4084387 0.5776340 -0.4224915 -1.6942317 -0.2867816 0.4067603 -0.3571906 -2.2408455 26 O -2.0117868 0.2041905 -0.2048187 0.1516583 -1.8042554 0.0451720 -0.1557296 -0.1202087 -1.9649828 27 O -2.0117868 -0.2041905 -0.2048187 -0.1516583 -1.8042554 -0.0451720 -0.1557296 0.1202087 -1.9649828 28 O -2.0117868 0.2041905 -0.2048187 0.1516583 -1.8042554 0.0451720 -0.1557296 -0.1202087 -1.9649828 29 O -2.1011443 0.6813731 -0.4016429 0.6687223 -1.7000390 -0.0712335 -0.4036451 -0.2775266 -2.4355257 30 O -1.9372871 0.4084387 0.5776340 0.4224915 -1.6942317 0.2867816 0.4067603 0.3571906 -2.2408455 31 O -2.5045526 0.0434884 -0.3972127 0.0461442 -2.2485079 -0.5310655 -0.2867186 -0.5909662 -1.3979020 32 O -2.1011443 -0.6813731 -0.4016429 -0.6687223 -1.7000390 0.0712335 -0.4036451 0.2775266 -2.4355257 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 7 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 311, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/136) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 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 3.418 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 6.941 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.364 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.953 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.518 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 10.160 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 11.008 ( 0.000 0.000 0.000) 0.000 11.522 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.769 ( 0.000 0.000 0.000) 0.000 12.407 ( 0.000 0.000 0.000) 0.000 12.449 ( 0.000 0.000 0.000) 0.000 12.701 ( 0.000 0.000 0.000) 0.000 13.151 ( 0.000 0.000 0.000) 0.000 13.634 ( 0.000 0.000 0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 13.685 ( 0.000 0.000 0.000) 0.000 13.939 ( 0.000 0.000 0.000) 0.000 14.285 ( 0.000 0.000 0.000) 0.000 14.673 ( 0.000 0.000 0.000) 0.000 15.187 ( 0.000 0.000 0.000) 0.000 15.545 ( 0.000 0.000 0.000) 0.000 15.747 ( 0.000 0.000 0.000) 0.000 16.098 ( 0.000 0.000 0.000) 0.000 16.289 ( 0.000 0.000 0.000) 0.000 16.859 ( 0.000 0.000 0.000) 0.000 16.951 ( 0.000 0.000 0.000) 0.000 17.183 ( 0.000 0.000 0.000) 0.000 17.883 ( 0.000 0.000 0.000) 0.000 18.239 ( 0.000 0.000 0.000) 0.000 19.033 ( 0.000 0.000 0.000) 0.000 19.234 ( 0.000 0.000 0.000) 0.000 19.415 ( 0.000 0.000 0.000) 0.000 19.439 ( 0.000 0.000 0.000) 0.000 19.677 ( 0.000 0.000 0.000) 0.000 19.848 ( 0.000 0.000 0.000) 0.000 20.494 ( 0.000 0.000 0.000) 0.000 20.545 ( 0.000 0.000 0.000) 0.000 20.726 ( 0.000 0.000 0.000) 0.000 21.304 ( 0.000 0.000 0.000) 0.000 21.665 ( 0.000 0.000 0.000) 0.000 22.090 ( 0.000 0.000 0.000) 0.000 23.563 ( 0.000 0.000 0.000) 0.000 23.640 ( 0.000 0.000 0.000) 0.000 23.887 ( 0.000 0.000 0.000) 0.000 24.280 ( 0.000 0.000 0.000) 0.000 24.386 ( 0.000 0.000 0.000) 0.000 24.754 ( 0.000 0.000 0.000) 0.000 24.896 ( 0.000 0.000 0.000) 0.000 25.129 ( 0.000 0.000 0.000) 0.000 26.008 ( 0.000 0.000 0.000) 0.000 26.332 ( 0.000 0.000 0.000) 0.000 27.421 ( 0.000 0.000 0.000) 0.000 27.905 ( 0.000 0.000 0.000) 0.000 28.022 ( 0.000 0.000 0.000) 0.000 28.468 ( 0.000 0.000 0.000) 0.000 28.848 ( 0.000 0.000 0.000) 0.000 28.929 ( 0.000 0.000 0.000) 0.000 29.340 ( 0.000 0.000 0.000) 0.000 29.672 ( 0.000 0.000 0.000) 0.000 29.735 ( 0.000 0.000 0.000) 0.000 30.724 ( 0.000 0.000 0.000) 0.000 30.933 ( 0.000 0.000 0.000) 0.000 31.167 ( 0.000 0.000 0.000) 0.000 31.246 ( 0.000 0.000 0.000) 0.000 31.376 ( 0.000 0.000 0.000) 0.000 32.247 ( 0.000 0.000 0.000) 0.000 32.741 ( 0.000 0.000 0.000) 0.000 32.750 ( 0.000 0.000 0.000) 0.000 33.127 ( 0.000 0.000 0.000) 0.000 33.224 ( 0.000 0.000 0.000) 0.000 33.359 ( 0.000 0.000 0.000) 0.000 33.576 ( 0.000 0.000 0.000) 0.000 34.423 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/136) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 42.092 0.000 -3.602) 42.246 0.905 ( 42.803 0.000 -0.169) 42.804 1.606 ( 75.446 0.000 -5.123) 75.620 3.461 ( 3.845 0.000 2.441) 4.554 3.478 ( -2.312 0.000 -6.867) 7.246 3.683 ( 2.959 0.000 -1.561) 3.346 3.874 ( 11.428 0.000 6.110) 12.959 4.470 ( -2.244 0.000 3.403) 4.076 4.754 ( -3.403 0.000 10.584) 11.117 5.195 ( 2.295 0.000 -4.679) 5.211 5.268 ( -6.588 0.000 1.764) 6.820 5.644 ( -3.268 0.000 -0.392) 3.291 6.768 ( 5.204 0.000 -2.607) 5.820 6.872 ( -6.432 0.000 -2.405) 6.867 7.190 ( -8.239 0.000 -0.869) 8.285 7.331 ( -7.127 0.000 15.038) 16.641 8.101 ( -2.725 0.000 -1.783) 3.257 8.391 ( 3.026 0.000 -47.642) 47.738 8.449 ( 5.976 0.000 1.699) 6.213 8.544 ( -12.121 0.000 3.148) 12.523 9.014 ( 3.402 0.000 -5.454) 6.428 9.034 ( 7.281 0.000 -0.439) 7.295 9.140 ( 1.964 0.000 -2.173) 2.929 9.596 ( 7.132 0.000 1.449) 7.278 9.621 ( 0.111 0.000 0.129) 0.170 10.149 ( -0.269 0.000 4.491) 4.499 10.460 ( -2.170 0.000 9.126) 9.381 10.782 ( -0.373 0.000 -18.235) 18.239 10.987 ( -1.966 0.000 -4.214) 4.650 11.537 ( 0.959 0.000 -3.813) 3.932 11.661 ( -5.486 0.000 0.577) 5.517 11.800 ( 3.001 0.000 -0.447) 3.034 12.286 ( -12.136 0.000 -4.997) 13.125 12.530 ( -14.782 0.000 -1.846) 14.896 12.973 ( 9.534 0.000 11.165) 14.682 13.169 ( 0.995 0.000 0.121) 1.002 13.555 ( -3.635 0.000 4.901) 6.102 13.678 ( -7.280 0.000 11.855) 13.911 13.892 ( 10.290 0.000 -1.790) 10.444 13.946 ( 0.165 0.000 -4.378) 4.381 14.264 ( -1.795 0.000 -0.784) 1.959 14.695 ( 2.009 0.000 -0.241) 2.024 15.159 ( -2.707 0.000 12.562) 12.850 15.483 ( -5.417 0.000 -2.017) 5.781 15.675 ( -5.945 0.000 3.193) 6.748 16.099 ( -0.279 0.000 -13.085) 13.088 16.364 ( 1.402 0.000 19.205) 19.256 16.689 ( -11.143 0.000 4.553) 12.037 17.083 ( 4.755 0.000 -11.094) 12.070 17.161 ( -2.192 0.000 5.402) 5.830 17.958 ( 4.773 0.000 -2.512) 5.394 18.254 ( 1.372 0.000 -4.270) 4.485 18.924 ( -7.117 0.000 -24.381) 25.398 19.268 ( 1.793 0.000 6.546) 6.787 19.427 ( 1.269 0.000 -1.668) 2.096 19.547 ( 6.977 0.000 5.541) 8.909 19.765 ( 7.835 0.000 6.498) 10.179 19.849 ( 0.296 0.000 -6.190) 6.197 20.494 ( -1.350 0.000 10.175) 10.264 20.586 ( 3.668 0.000 -4.210) 5.583 20.690 ( -3.125 0.000 4.090) 5.147 21.316 ( 1.118 0.000 -3.093) 3.289 21.639 ( -2.304 0.000 -2.281) 3.242 22.102 ( 0.752 0.000 2.624) 2.730 23.496 ( -7.161 0.000 10.478) 12.691 23.644 ( 0.348 0.000 4.942) 4.954 23.770 ( -7.895 0.000 -20.225) 21.711 24.305 ( 1.622 0.000 6.075) 6.288 24.369 ( -2.820 0.000 2.336) 3.662 24.802 ( 4.033 0.000 1.141) 4.191 24.871 ( -2.732 0.000 10.934) 11.270 25.110 ( -1.715 0.000 -6.046) 6.285 26.007 ( -2.917 0.000 3.775) 4.771 26.291 ( -3.587 0.000 1.811) 4.018 27.409 ( -1.467 0.000 -4.704) 4.927 27.806 ( -7.268 0.000 -1.250) 7.374 28.022 ( 0.094 0.000 2.053) 2.056 28.854 ( -1.445 0.000 -2.278) 2.698 28.993 ( 11.265 0.000 -1.003) 11.310 29.005 ( 5.511 0.000 9.196) 10.721 29.355 ( 2.188 0.000 3.314) 3.971 29.735 ( -0.754 0.000 32.192) 32.200 29.823 ( 1.752 0.000 -5.427) 5.703 30.703 ( -2.723 0.000 1.374) 3.049 30.943 ( 0.599 0.000 2.134) 2.216 31.139 ( -4.825 0.000 -9.357) 10.528 31.309 ( 2.209 0.000 -12.500) 12.694 31.501 ( 11.922 0.000 -2.194) 12.122 32.401 ( 13.560 0.000 0.032) 13.560 32.728 ( -1.588 0.000 9.793) 9.921 32.804 ( 5.016 0.000 0.631) 5.056 33.123 ( -0.141 0.000 -6.576) 6.577 33.275 ( -7.651 0.000 -3.351) 8.352 33.484 ( -0.595 0.000 -1.335) 1.461 34.380 ( -3.450 0.000 1.557) 3.785 38.645 ( 0.746 0.000 1.470) 1.649 ======================= Grid point 2 (3/136) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 40.493 0.000 -3.708) 40.662 1.765 ( 39.337 0.000 0.529) 39.341 3.097 ( 66.800 0.000 -5.729) 67.045 3.473 ( 1.859 0.000 -5.536) 5.840 3.555 ( 4.507 0.000 3.220) 5.540 3.777 ( 6.126 0.000 -1.928) 6.423 4.106 ( 8.756 0.000 6.258) 10.762 4.428 ( -0.471 0.000 4.794) 4.817 4.672 ( -4.201 0.000 8.677) 9.641 5.076 ( -11.412 0.000 2.083) 11.600 5.245 ( 2.340 0.000 -5.927) 6.372 5.553 ( -5.273 0.000 -0.285) 5.281 6.679 ( -11.884 0.000 -3.154) 12.295 6.854 ( -0.528 0.000 -12.534) 12.545 6.966 ( -12.474 0.000 -0.687) 12.493 7.192 ( -2.743 0.000 16.718) 16.942 8.069 ( -0.293 0.000 -0.849) 0.898 8.248 ( -15.615 0.000 3.454) 15.993 8.464 ( 4.593 0.000 -21.465) 21.951 8.562 ( 4.257 0.000 2.837) 5.116 9.060 ( -0.036 0.000 -11.044) 11.044 9.175 ( 1.986 0.000 0.006) 1.986 9.214 ( 8.274 0.000 -3.271) 8.897 9.608 ( -0.436 0.000 -0.166) 0.467 9.789 ( 10.480 0.000 1.328) 10.564 10.192 ( 4.719 0.000 5.778) 7.460 10.414 ( -1.888 0.000 14.207) 14.332 10.755 ( -1.806 0.000 -8.578) 8.766 10.926 ( -3.749 0.000 -6.993) 7.935 11.519 ( -7.935 0.000 -1.984) 8.180 11.544 ( -0.147 0.000 -8.365) 8.366 11.886 ( 4.709 0.000 2.381) 5.277 12.051 ( -8.675 0.000 1.425) 8.791 12.168 ( -18.326 0.000 0.292) 18.328 13.162 ( -1.614 0.000 1.450) 2.170 13.197 ( 10.851 0.000 5.175) 12.022 13.478 ( -11.636 0.000 3.719) 12.216 13.500 ( -2.398 0.000 2.455) 3.432 13.923 ( -2.473 0.000 -4.937) 5.522 14.057 ( 4.436 0.000 -1.260) 4.612 14.227 ( -1.101 0.000 -1.568) 1.916 14.755 ( 3.944 0.000 -0.971) 4.062 15.097 ( -2.982 0.000 22.083) 22.283 15.352 ( -6.272 0.000 -3.451) 7.159 15.545 ( -5.893 0.000 0.123) 5.895 16.070 ( -2.072 0.000 -15.819) 15.954 16.398 ( -0.032 0.000 15.159) 15.159 16.486 ( -7.035 0.000 4.880) 8.562 17.096 ( -4.141 0.000 8.085) 9.083 17.129 ( 0.239 0.000 -11.227) 11.230 18.020 ( -0.127 0.000 4.795) 4.797 18.291 ( 2.256 0.000 -7.410) 7.746 18.800 ( -3.628 0.000 -25.123) 25.384 19.324 ( 3.665 0.000 4.336) 5.677 19.473 ( 3.333 0.000 -2.628) 4.244 19.674 ( 4.273 0.000 3.662) 5.628 19.859 ( 0.940 0.000 -9.407) 9.454 19.970 ( 10.473 0.000 13.335) 16.955 20.470 ( -1.046 0.000 8.302) 8.367 20.627 ( -2.152 0.000 5.463) 5.872 20.691 ( 6.347 0.000 -0.306) 6.354 21.347 ( 1.860 0.000 -6.683) 6.937 21.581 ( -2.819 0.000 -3.314) 4.351 22.105 ( -0.854 0.000 5.468) 5.534 23.278 ( -12.259 0.000 10.976) 16.455 23.635 ( -4.847 0.000 -24.147) 24.629 23.655 ( 0.600 0.000 8.636) 8.656 24.251 ( -8.420 0.000 -0.645) 8.444 24.350 ( 2.308 0.000 6.420) 6.822 24.794 ( -4.677 0.000 9.020) 10.161 24.895 ( 4.439 0.000 0.951) 4.539 25.059 ( -2.897 0.000 -8.085) 8.589 25.932 ( -4.037 0.000 2.001) 4.505 26.209 ( -3.670 0.000 4.197) 5.575 27.333 ( -5.904 0.000 -11.814) 13.207 27.689 ( -2.983 0.000 2.147) 3.676 28.034 ( 1.142 0.000 3.670) 3.844 28.828 ( -0.983 0.000 -7.336) 7.402 29.138 ( 6.688 0.000 2.845) 7.268 29.162 ( 2.869 0.000 -3.402) 4.450 29.511 ( 13.516 0.000 7.332) 15.377 29.715 ( -1.551 0.000 32.669) 32.706 29.875 ( 3.114 0.000 -13.110) 13.475 30.609 ( -5.784 0.000 2.190) 6.185 30.931 ( -2.531 0.000 7.360) 7.783 31.063 ( -1.824 0.000 -15.033) 15.143 31.335 ( 0.995 0.000 -7.677) 7.741 31.805 ( 14.643 0.000 -1.854) 14.760 32.627 ( -3.363 0.000 14.895) 15.270 32.752 ( 9.807 0.000 -2.598) 10.145 32.945 ( 7.955 0.000 1.123) 8.034 33.087 ( -5.653 0.000 -3.586) 6.694 33.134 ( 1.173 0.000 -11.744) 11.802 33.467 ( -0.949 0.000 0.250) 0.982 34.330 ( -0.031 0.000 3.767) 3.768 38.667 ( 1.260 0.000 0.501) 1.356 ======================= Grid point 3 (4/136) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 32.631 0.000 1.287) 32.656 2.545 ( 35.986 0.000 -4.088) 36.218 3.545 ( 5.125 0.000 -2.706) 5.795 3.632 ( 2.690 0.000 1.790) 3.231 3.927 ( 7.812 0.000 -0.732) 7.847 4.169 ( -1.749 0.000 7.923) 8.114 4.312 ( 44.383 0.000 -6.525) 44.861 4.511 ( 7.031 0.000 4.095) 8.136 4.624 ( 4.161 0.000 6.441) 7.668 4.820 ( -12.520 0.000 -0.116) 12.520 5.282 ( 1.297 0.000 -4.396) 4.583 5.430 ( -6.388 0.000 0.494) 6.407 6.396 ( -14.295 0.000 -4.448) 14.971 6.675 ( -13.218 0.000 -10.294) 16.754 6.692 ( -13.657 0.000 1.058) 13.698 7.294 ( 9.182 0.000 11.422) 14.655 7.927 ( -14.564 0.000 3.611) 15.005 8.083 ( 1.529 0.000 1.238) 1.968 8.556 ( 3.852 0.000 -4.744) 6.111 8.612 ( 0.349 0.000 4.125) 4.140 8.980 ( -6.276 0.000 -18.206) 19.257 9.244 ( 4.186 0.000 1.590) 4.477 9.271 ( -3.228 0.000 -5.341) 6.241 9.695 ( 9.072 0.000 -2.095) 9.311 9.983 ( 6.962 0.000 0.887) 7.018 10.336 ( 8.423 0.000 4.511) 9.555 10.423 ( 3.124 0.000 14.879) 15.203 10.712 ( -2.035 0.000 -7.215) 7.497 10.835 ( -4.283 0.000 -8.037) 9.107 11.345 ( -8.093 0.000 -3.668) 8.886 11.534 ( -0.445 0.000 -9.378) 9.388 11.818 ( -14.532 0.000 1.697) 14.631 11.957 ( -0.651 0.000 7.002) 7.032 11.977 ( 3.609 0.000 5.663) 6.715 13.072 ( -7.648 0.000 1.145) 7.734 13.220 ( -10.724 0.000 -3.369) 11.241 13.433 ( 9.889 0.000 4.131) 10.717 13.439 ( -3.553 0.000 -0.383) 3.574 13.854 ( -3.149 0.000 -1.071) 3.326 14.065 ( -2.356 0.000 -1.552) 2.821 14.214 ( -1.350 0.000 -0.433) 1.418 14.874 ( 7.662 0.000 -3.221) 8.312 15.070 ( 0.256 0.000 24.383) 24.385 15.246 ( -3.627 0.000 -4.844) 6.052 15.438 ( -4.454 0.000 -2.181) 4.959 16.013 ( -2.932 0.000 -13.350) 13.668 16.278 ( -7.793 0.000 9.095) 11.977 16.477 ( 1.841 0.000 9.431) 9.609 16.993 ( -5.890 0.000 7.714) 9.705 17.102 ( -2.305 0.000 -11.294) 11.527 17.955 ( -5.156 0.000 3.934) 6.485 18.340 ( 2.546 0.000 -8.250) 8.634 18.751 ( -1.242 0.000 -18.016) 18.059 19.408 ( 3.516 0.000 2.738) 4.457 19.565 ( 5.357 0.000 -3.041) 6.160 19.727 ( 1.461 0.000 -0.646) 1.598 19.884 ( 1.673 0.000 -11.500) 11.621 20.168 ( 7.595 0.000 22.749) 23.983 20.457 ( -0.290 0.000 6.656) 6.663 20.634 ( 3.135 0.000 4.711) 5.659 20.834 ( 6.781 0.000 1.614) 6.971 21.376 ( 0.639 0.000 -12.259) 12.276 21.535 ( -1.280 0.000 -2.593) 2.892 22.066 ( -2.890 0.000 7.405) 7.948 23.058 ( -8.140 0.000 8.039) 11.440 23.536 ( -4.338 0.000 -21.091) 21.532 23.671 ( 0.659 0.000 9.989) 10.011 24.033 ( -11.936 0.000 -3.369) 12.402 24.397 ( 2.035 0.000 6.253) 6.576 24.691 ( -5.036 0.000 5.332) 7.334 24.977 ( 3.321 0.000 0.016) 3.321 24.990 ( -3.445 0.000 -6.601) 7.446 25.853 ( -3.381 0.000 1.449) 3.679 26.157 ( -1.259 0.000 6.475) 6.596 27.185 ( -7.163 0.000 -14.064) 15.783 27.671 ( 0.412 0.000 3.061) 3.089 28.071 ( 2.156 0.000 4.307) 4.816 28.808 ( -0.765 0.000 -8.135) 8.171 29.162 ( -1.486 0.000 -1.857) 2.379 29.263 ( 4.790 0.000 -2.470) 5.389 29.703 ( 0.222 0.000 25.981) 25.982 29.832 ( 15.173 0.000 7.544) 16.945 29.932 ( 2.305 0.000 -6.653) 7.041 30.489 ( -5.186 0.000 0.795) 5.246 30.859 ( -3.702 0.000 5.697) 6.794 31.024 ( -2.546 0.000 -15.685) 15.890 31.370 ( 2.807 0.000 -4.024) 4.906 32.013 ( 3.889 0.000 0.201) 3.894 32.474 ( -10.017 0.000 10.011) 14.161 32.659 ( -11.293 0.000 -1.190) 11.356 33.105 ( 6.433 0.000 1.820) 6.686 33.169 ( 2.136 0.000 -10.361) 10.578 33.293 ( 17.426 0.000 -4.370) 17.966 33.456 ( 0.397 0.000 0.133) 0.418 34.422 ( 8.784 0.000 4.988) 10.101 38.695 ( 1.350 0.000 0.167) 1.361 ======================= Grid point 4 (5/136) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 21.504 0.000 1.451) 21.553 3.175 ( 22.231 0.000 -5.076) 22.803 3.669 ( 0.957 0.000 0.614) 1.137 3.706 ( 11.565 0.000 1.012) 11.609 4.076 ( 5.949 0.000 0.973) 6.028 4.125 ( -1.327 0.000 7.056) 7.180 4.529 ( -10.397 0.000 5.468) 11.748 4.535 ( 1.340 0.000 1.888) 2.316 4.686 ( 4.196 0.000 -4.107) 5.872 5.205 ( 20.896 0.000 -7.542) 22.215 5.292 ( -6.758 0.000 1.039) 6.837 5.323 ( 9.119 0.000 -0.711) 9.146 6.127 ( -10.228 0.000 -5.706) 11.712 6.388 ( -13.142 0.000 -3.974) 13.730 6.403 ( -13.900 0.000 2.992) 14.219 7.500 ( 9.520 0.000 3.487) 10.139 7.671 ( -9.517 0.000 4.255) 10.425 8.128 ( 2.589 0.000 2.542) 3.628 8.572 ( -3.338 0.000 9.437) 10.010 8.587 ( -2.353 0.000 3.869) 4.529 8.877 ( -1.172 0.000 -22.447) 22.477 9.158 ( -5.970 0.000 -5.332) 8.004 9.332 ( 3.865 0.000 0.943) 3.979 9.884 ( 7.139 0.000 -3.392) 7.904 10.075 ( 2.758 0.000 1.626) 3.201 10.512 ( 7.367 0.000 3.404) 8.115 10.518 ( 2.969 0.000 13.331) 13.658 10.681 ( 0.409 0.000 -8.739) 8.749 10.783 ( 0.522 0.000 -7.081) 7.100 11.206 ( -4.898 0.000 -3.293) 5.902 11.522 ( -1.172 0.000 -0.462) 1.260 11.574 ( -8.503 0.000 -4.204) 9.486 12.008 ( 4.913 0.000 9.328) 10.542 12.033 ( 1.607 0.000 5.469) 5.700 12.832 ( -13.511 0.000 -7.655) 15.529 13.062 ( -5.388 0.000 3.501) 6.426 13.362 ( -3.447 0.000 -1.223) 3.657 13.561 ( 1.222 0.000 -1.122) 1.659 13.864 ( 4.991 0.000 3.320) 5.995 14.004 ( -2.845 0.000 -3.517) 4.524 14.158 ( -3.500 0.000 3.120) 4.689 15.053 ( 8.799 0.000 -6.310) 10.828 15.113 ( 2.889 0.000 21.367) 21.561 15.198 ( -1.049 0.000 -5.145) 5.251 15.357 ( -3.244 0.000 -3.530) 4.795 15.949 ( -2.857 0.000 -8.618) 9.079 16.130 ( -6.314 0.000 6.804) 9.282 16.508 ( 0.786 0.000 7.707) 7.747 16.864 ( -6.192 0.000 5.395) 8.213 17.039 ( -3.210 0.000 -9.331) 9.868 17.848 ( -4.521 0.000 2.575) 5.203 18.389 ( 2.201 0.000 -6.237) 6.614 18.726 ( -0.935 0.000 -10.704) 10.744 19.441 ( -0.396 0.000 -0.104) 0.410 19.677 ( 4.817 0.000 -2.745) 5.544 19.766 ( 2.420 0.000 -0.298) 2.438 19.918 ( 1.622 0.000 -9.224) 9.366 20.304 ( 5.617 0.000 20.088) 20.858 20.459 ( 0.223 0.000 4.526) 4.531 20.751 ( 7.208 0.000 11.476) 13.551 20.951 ( 4.027 0.000 0.620) 4.074 21.345 ( -3.625 0.000 -19.287) 19.625 21.531 ( 0.733 0.000 -0.843) 1.117 22.001 ( -3.131 0.000 6.641) 7.342 22.958 ( -1.724 0.000 7.408) 7.606 23.444 ( -4.032 0.000 -17.362) 17.824 23.686 ( 0.493 0.000 8.182) 8.197 23.782 ( -11.137 0.000 -2.965) 11.525 24.435 ( 1.432 0.000 5.146) 5.341 24.598 ( -3.804 0.000 1.448) 4.071 24.920 ( -2.970 0.000 -4.042) 5.016 25.027 ( 1.413 0.000 -0.529) 1.509 25.797 ( -1.946 0.000 0.975) 2.177 26.159 ( 1.074 0.000 6.646) 6.733 27.049 ( -5.363 0.000 -11.485) 12.675 27.688 ( 0.895 0.000 2.112) 2.294 28.118 ( 2.044 0.000 3.453) 4.013 28.794 ( -0.423 0.000 -6.349) 6.363 29.124 ( -1.812 0.000 -0.847) 2.000 29.324 ( 1.228 0.000 -2.671) 2.940 29.744 ( 2.928 0.000 15.541) 15.814 29.965 ( 0.941 0.000 -1.002) 1.374 30.088 ( 7.939 0.000 9.429) 12.326 30.426 ( 0.163 0.000 -4.141) 4.144 30.796 ( -2.261 0.000 3.474) 4.145 30.948 ( -4.012 0.000 -12.166) 12.810 31.442 ( 3.641 0.000 -2.262) 4.286 31.971 ( -5.971 0.000 4.246) 7.327 32.216 ( -13.275 0.000 -1.434) 13.352 32.520 ( -2.532 0.000 3.263) 4.130 33.183 ( 1.113 0.000 2.218) 2.482 33.208 ( 1.667 0.000 -6.751) 6.954 33.499 ( 3.402 0.000 -0.554) 3.447 33.610 ( 12.070 0.000 -2.543) 12.334 34.652 ( 11.566 0.000 3.395) 12.054 38.720 ( 1.015 0.000 0.041) 1.015 ======================= Grid point 5 (6/136) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( 7.281 0.000 0.533) 7.300 3.430 ( 4.564 0.000 -2.409) 5.161 3.676 ( -0.099 0.000 0.233) 0.253 3.987 ( 10.543 0.000 1.087) 10.599 4.145 ( 3.167 0.000 4.086) 5.169 4.159 ( 1.948 0.000 0.928) 2.158 4.315 ( -8.475 0.000 -0.154) 8.477 4.585 ( 2.400 0.000 0.342) 2.424 4.762 ( 2.035 0.000 -0.878) 2.217 5.166 ( -4.321 0.000 0.501) 4.350 5.266 ( -0.431 0.000 -1.019) 1.107 5.673 ( 10.650 0.000 -4.442) 11.539 6.012 ( -0.286 0.000 -5.088) 5.096 6.145 ( -9.738 0.000 4.015) 10.534 6.162 ( -7.349 0.000 1.026) 7.420 7.533 ( -3.085 0.000 -0.185) 3.091 7.664 ( 4.441 0.000 2.453) 5.074 8.177 ( 1.576 0.000 1.408) 2.114 8.483 ( -3.188 0.000 3.604) 4.811 8.541 ( -1.509 0.000 1.575) 2.181 8.894 ( 1.302 0.000 -7.799) 7.907 9.059 ( -2.792 0.000 -2.484) 3.737 9.392 ( 1.599 0.000 0.269) 1.622 9.968 ( 1.555 0.000 -1.681) 2.290 10.123 ( 1.663 0.000 0.766) 1.831 10.503 ( -2.199 0.000 3.688) 4.294 10.608 ( 1.949 0.000 1.486) 2.451 10.734 ( 2.513 0.000 -2.028) 3.229 10.853 ( 4.032 0.000 -3.243) 5.174 11.141 ( -1.433 0.000 -1.419) 2.017 11.419 ( -4.282 0.000 4.042) 5.889 11.525 ( -0.128 0.000 -5.327) 5.329 12.051 ( 0.261 0.000 2.376) 2.390 12.137 ( 5.805 0.000 6.902) 9.018 12.576 ( -8.979 0.000 -6.805) 11.266 12.982 ( -2.134 0.000 2.004) 2.927 13.309 ( -1.373 0.000 -0.542) 1.476 13.547 ( -0.908 0.000 -0.523) 1.047 13.960 ( -1.134 0.000 -2.335) 2.596 13.980 ( 3.829 0.000 1.571) 4.139 14.097 ( -1.790 0.000 2.391) 2.987 15.175 ( 2.045 0.000 14.504) 14.648 15.189 ( 0.038 0.000 -2.432) 2.433 15.194 ( 3.777 0.000 -9.114) 9.866 15.306 ( -1.309 0.000 -1.783) 2.212 15.900 ( -1.364 0.000 -2.907) 3.212 16.033 ( -2.691 0.000 2.807) 3.888 16.516 ( 0.033 0.000 3.006) 3.007 16.763 ( -2.903 0.000 1.967) 3.507 16.982 ( -1.606 0.000 -3.784) 4.111 17.784 ( -1.568 0.000 1.016) 1.869 18.422 ( 0.905 0.000 -2.274) 2.448 18.710 ( -0.377 0.000 -3.654) 3.674 19.419 ( -0.922 0.000 -0.576) 1.087 19.746 ( 1.715 0.000 -1.120) 2.048 19.810 ( 1.307 0.000 0.176) 1.319 19.940 ( 0.595 0.000 -3.231) 3.285 20.408 ( 3.173 0.000 6.406) 7.148 20.465 ( 0.207 0.000 1.662) 1.675 20.908 ( 6.331 0.000 16.065) 17.268 21.002 ( 1.066 0.000 -0.116) 1.072 21.229 ( -5.665 0.000 -18.164) 19.027 21.550 ( 0.733 0.000 0.014) 0.733 21.952 ( -1.387 0.000 2.666) 3.005 22.965 ( 1.137 0.000 4.381) 4.526 23.367 ( -2.573 0.000 -8.603) 8.980 23.611 ( -4.438 0.000 -0.563) 4.473 23.694 ( 0.179 0.000 3.205) 3.210 24.459 ( 0.765 0.000 2.579) 2.690 24.540 ( -1.644 0.000 -0.525) 1.726 24.874 ( -1.192 0.000 -1.356) 1.805 25.041 ( 0.200 0.000 -0.278) 0.343 25.771 ( -0.594 0.000 0.353) 0.691 26.187 ( 0.970 0.000 3.011) 3.163 26.967 ( -2.092 0.000 -4.657) 5.105 27.702 ( 0.389 0.000 0.748) 0.843 28.149 ( 0.818 0.000 1.305) 1.540 28.788 ( -0.110 0.000 -2.394) 2.397 29.096 ( -0.770 0.000 -0.243) 0.807 29.331 ( -0.047 0.000 -0.675) 0.676 29.804 ( 1.908 0.000 4.375) 4.773 29.973 ( 0.051 0.000 0.846) 0.848 30.162 ( 0.605 0.000 4.554) 4.594 30.480 ( 2.867 0.000 -2.928) 4.098 30.769 ( -0.533 0.000 1.689) 1.771 30.875 ( -2.132 0.000 -5.254) 5.670 31.500 ( 1.624 0.000 -0.814) 1.817 31.862 ( -3.036 0.000 3.278) 4.469 31.997 ( -6.339 0.000 -1.942) 6.630 32.497 ( -0.355 0.000 0.992) 1.053 33.183 ( -0.372 0.000 0.947) 1.018 33.232 ( 0.663 0.000 -2.351) 2.443 33.561 ( 1.871 0.000 -0.282) 1.892 33.779 ( 4.111 0.000 -0.664) 4.164 34.837 ( 5.004 0.000 1.070) 5.117 38.735 ( 0.374 0.000 0.005) 0.374 ======================= Grid point 11 (7/136) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 41.685 0.000) 41.685 0.990 ( 0.000 46.682 0.000) 46.682 1.658 ( 0.000 76.682 0.000) 76.682 3.293 ( 0.000 -8.062 0.000) 8.062 3.642 ( 0.000 -1.071 0.000) 1.071 3.723 ( 0.000 10.580 0.000) 10.580 3.731 ( 0.000 1.431 0.000) 1.431 4.415 ( 0.000 -10.878 0.000) 10.878 4.608 ( 0.000 -10.753 0.000) 10.753 5.210 ( 0.000 3.413 0.000) 3.413 5.428 ( 0.000 4.075 0.000) 4.075 5.631 ( 0.000 -2.928 0.000) 2.928 6.722 ( 0.000 -14.572 0.000) 14.572 6.776 ( 0.000 5.898 0.000) 5.898 7.041 ( 0.000 -3.494 0.000) 3.494 7.931 ( 0.000 2.882 0.000) 2.882 8.041 ( 0.000 -8.506 0.000) 8.506 8.148 ( 0.000 -9.420 0.000) 9.420 8.545 ( 0.000 -22.011 0.000) 22.011 8.787 ( 0.000 1.475 0.000) 1.475 8.937 ( 0.000 -13.204 0.000) 13.204 9.061 ( 0.000 -0.799 0.000) 0.799 9.170 ( 0.000 10.107 0.000) 10.107 9.339 ( 0.000 26.517 0.000) 26.517 9.542 ( 0.000 4.444 0.000) 4.444 9.769 ( 0.000 -7.262 0.000) 7.262 10.147 ( 0.000 -2.165 0.000) 2.165 10.798 ( 0.000 20.083 0.000) 20.083 11.299 ( 0.000 -13.460 0.000) 13.460 11.301 ( 0.000 15.081 0.000) 15.081 11.764 ( 0.000 5.463 0.000) 5.463 11.906 ( 0.000 9.467 0.000) 9.467 12.385 ( 0.000 -1.987 0.000) 1.987 12.406 ( 0.000 -4.100 0.000) 4.100 12.774 ( 0.000 7.049 0.000) 7.049 13.222 ( 0.000 5.375 0.000) 5.375 13.380 ( 0.000 -25.922 0.000) 25.922 13.532 ( 0.000 -11.032 0.000) 11.032 13.798 ( 0.000 2.962 0.000) 2.962 13.971 ( 0.000 4.217 0.000) 4.217 14.299 ( 0.000 1.598 0.000) 1.598 14.752 ( 0.000 2.501 0.000) 2.501 15.095 ( 0.000 -8.073 0.000) 8.073 15.641 ( 0.000 -9.601 0.000) 9.601 15.750 ( 0.000 18.489 0.000) 18.489 16.016 ( 0.000 -10.032 0.000) 10.032 16.353 ( 0.000 0.379 0.000) 0.379 16.861 ( 0.000 -0.092 0.000) 0.092 16.972 ( 0.000 1.889 0.000) 1.889 17.079 ( 0.000 -5.477 0.000) 5.477 17.898 ( 0.000 2.309 0.000) 2.309 18.728 ( 0.000 -20.721 0.000) 20.721 18.923 ( 0.000 3.786 0.000) 3.786 19.136 ( 0.000 -9.293 0.000) 9.293 19.415 ( 0.000 7.505 0.000) 7.505 19.740 ( 0.000 18.795 0.000) 18.795 19.751 ( 0.000 1.890 0.000) 1.890 19.950 ( 0.000 5.524 0.000) 5.524 20.277 ( 0.000 -11.789 0.000) 11.789 20.579 ( 0.000 4.200 0.000) 4.200 21.005 ( 0.000 16.198 0.000) 16.198 21.228 ( 0.000 -5.312 0.000) 5.312 21.528 ( 0.000 -12.705 0.000) 12.705 22.155 ( 0.000 2.769 0.000) 2.769 23.517 ( 0.000 -4.335 0.000) 4.335 23.589 ( 0.000 -5.197 0.000) 5.197 23.925 ( 0.000 3.220 0.000) 3.220 24.140 ( 0.000 -5.017 0.000) 5.017 24.663 ( 0.000 17.787 0.000) 17.787 24.921 ( 0.000 2.031 0.000) 2.031 25.064 ( 0.000 -5.225 0.000) 5.225 25.994 ( 0.000 -0.992 0.000) 0.992 26.006 ( 0.000 -1.749 0.000) 1.749 26.519 ( 0.000 -0.483 0.000) 0.483 27.228 ( 0.000 -15.520 0.000) 15.520 27.657 ( 0.000 -17.128 0.000) 17.128 28.169 ( 0.000 11.401 0.000) 11.401 28.745 ( 0.000 19.418 0.000) 19.418 29.058 ( 0.000 10.743 0.000) 10.743 29.269 ( 0.000 -6.351 0.000) 6.351 29.677 ( 0.000 1.031 0.000) 1.031 29.755 ( 0.000 2.191 0.000) 2.191 30.616 ( 0.000 -2.144 0.000) 2.144 30.705 ( 0.000 -2.320 0.000) 2.320 30.994 ( 0.000 4.407 0.000) 4.407 31.088 ( 0.000 -4.545 0.000) 4.545 31.194 ( 0.000 -4.759 0.000) 4.759 31.443 ( 0.000 3.225 0.000) 3.225 32.261 ( 0.000 0.804 0.000) 0.804 32.768 ( 0.000 1.759 0.000) 1.759 32.956 ( 0.000 -15.718 0.000) 15.718 33.199 ( 0.000 3.525 0.000) 3.525 33.308 ( 0.000 -1.789 0.000) 1.789 33.882 ( 0.000 19.711 0.000) 19.711 34.328 ( 0.000 -6.441 0.000) 6.441 35.259 ( 0.000 -3.758 0.000) 3.758 ======================= Grid point 12 (8/136) ======================= q-point: ( 0.09 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 27.460 30.485 -5.448) 41.389 1.391 ( 30.717 32.707 4.128) 45.059 2.209 ( 47.731 50.759 -5.368) 69.882 3.313 ( 2.257 -7.092 -0.384) 7.452 3.636 ( -1.067 6.059 -2.062) 6.489 3.674 ( 2.880 0.316 -2.531) 3.846 3.916 ( 10.227 3.321 6.257) 12.441 4.356 ( -3.281 -9.485 4.155) 10.863 4.645 ( 1.647 -8.995 0.095) 9.145 5.193 ( -0.269 1.645 -0.739) 1.823 5.351 ( -7.463 3.839 2.682) 8.811 5.601 ( -2.839 -2.889 0.427) 4.073 6.684 ( -4.314 -13.017 -0.961) 13.747 6.800 ( 2.018 3.420 -0.453) 3.997 7.142 ( 2.875 -6.224 -3.546) 7.718 7.684 ( -18.728 22.327 11.508) 31.331 7.950 ( -2.520 -9.694 0.231) 10.019 8.133 ( 0.621 -10.987 -12.366) 16.553 8.470 ( -2.084 -9.138 -6.263) 11.273 8.837 ( 3.443 -5.567 -2.447) 6.988 8.871 ( -2.222 8.155 -17.952) 19.843 8.965 ( 2.016 -8.659 -3.911) 9.713 9.244 ( 0.597 17.028 0.951) 17.065 9.491 ( 7.424 -6.487 4.867) 10.995 9.734 ( 4.603 7.558 4.556) 9.953 9.832 ( 3.196 -14.917 7.991) 17.221 10.385 ( 14.010 -17.129 -3.658) 22.429 10.774 ( -2.087 18.664 3.525) 19.108 11.224 ( -3.786 11.368 -9.646) 15.383 11.341 ( 1.290 -7.943 6.612) 10.415 11.756 ( -2.426 4.718 -1.932) 5.646 11.879 ( -0.516 7.723 -2.756) 8.216 12.181 ( -9.398 -5.567 -1.828) 11.075 12.599 ( -13.488 5.426 -1.787) 14.648 12.771 ( 15.790 -9.808 4.389) 19.100 13.157 ( -2.601 -0.351 -1.568) 3.057 13.365 ( -1.262 -18.081 1.366) 18.177 13.486 ( -4.352 -8.298 6.430) 11.364 13.886 ( 5.179 -0.198 -1.070) 5.292 13.990 ( 2.167 3.982 -7.076) 8.403 14.338 ( 1.450 2.831 6.127) 6.903 14.725 ( -1.962 0.739 1.967) 2.874 15.085 ( -1.248 -6.768 8.204) 10.708 15.569 ( -4.716 -4.284 -6.478) 9.086 15.731 ( -3.007 14.915 6.856) 16.689 16.053 ( 2.251 -6.101 -10.160) 12.063 16.353 ( -1.202 -4.331 8.578) 9.684 16.687 ( -8.864 4.039 5.549) 11.211 17.043 ( -0.090 -3.113 -9.614) 10.106 17.128 ( 4.467 -2.393 5.677) 7.610 17.935 ( 3.045 0.749 5.208) 6.079 18.666 ( -7.062 -15.942 -14.402) 22.615 18.676 ( -10.777 15.476 -4.192) 19.319 19.168 ( 1.353 -10.851 2.474) 11.211 19.438 ( 2.238 5.602 -1.879) 6.319 19.756 ( 1.467 15.679 2.223) 15.904 19.811 ( 3.996 2.984 -1.639) 5.250 19.988 ( 5.160 7.648 -2.148) 9.473 20.264 ( -1.382 -10.817 7.447) 13.205 20.604 ( 2.296 2.954 -4.487) 5.842 20.984 ( -1.705 16.325 6.545) 17.671 21.219 ( -0.971 -7.090 -6.045) 9.368 21.541 ( 1.354 -9.466 1.610) 9.697 22.135 ( -1.121 2.348 3.364) 4.253 23.482 ( -4.464 -2.429 9.081) 10.406 23.587 ( 0.229 -5.119 1.640) 5.380 23.758 ( -10.782 0.559 -15.211) 18.654 24.211 ( 3.137 -3.070 3.117) 5.383 24.594 ( -6.169 14.890 1.622) 16.199 24.881 ( -3.677 1.098 1.762) 4.223 25.059 ( -0.747 -3.807 -5.189) 6.479 25.411 ( -27.934 24.872 2.212) 37.467 26.018 ( -1.963 0.721 2.597) 3.335 26.355 ( -5.159 5.199 2.148) 7.633 27.234 ( 0.481 -14.775 -3.232) 15.132 27.670 ( -4.999 -13.493 -1.247) 14.443 28.158 ( -1.347 12.454 0.564) 12.539 28.731 ( 4.473 6.630 3.024) 8.550 29.039 ( -1.379 9.673 -0.568) 9.788 29.196 ( -3.178 -2.881 -2.576) 5.004 29.660 ( -0.475 5.596 4.682) 7.312 29.792 ( 3.181 3.226 -1.573) 4.796 30.033 ( -13.670 28.102 27.869) 41.872 30.673 ( -3.951 -3.747 -0.971) 5.531 30.970 ( 1.756 3.023 2.936) 4.566 31.078 ( -2.563 -4.581 -12.731) 13.771 31.244 ( 4.174 -4.426 -3.901) 7.227 31.556 ( 9.310 2.523 -2.885) 10.068 32.414 ( 13.294 0.597 -0.245) 13.310 32.789 ( -0.421 2.377 3.752) 4.461 32.863 ( -2.566 0.247 8.946) 9.310 33.028 ( -2.769 -3.207 -13.405) 14.059 33.209 ( -1.061 4.847 -0.764) 5.020 33.804 ( -4.746 19.645 0.790) 20.226 34.312 ( -2.830 -6.178 0.180) 6.797 37.186 ( 71.947 -84.347 -0.742) 110.867 ======================= Grid point 13 (9/136) ======================= q-point: ( 0.18 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 33.036 17.239 -5.106) 37.611 2.070 ( 33.205 22.195 1.855) 39.983 3.337 ( 55.223 21.481 -6.661) 59.627 3.386 ( 4.851 -4.701 -0.287) 6.761 3.650 ( 2.026 5.197 0.293) 5.586 3.777 ( 6.667 0.410 -2.440) 7.112 4.095 ( 4.714 -2.666 7.648) 9.371 4.339 ( 3.293 -4.428 3.305) 6.432 4.658 ( -0.241 -3.525 2.186) 4.155 5.134 ( -12.659 4.319 4.315) 14.054 5.205 ( 0.991 -2.496 -4.067) 4.873 5.518 ( -4.941 -2.893 0.234) 5.730 6.533 ( -9.996 -10.494 -2.285) 14.672 6.797 ( -4.288 -1.211 -6.014) 7.485 7.100 ( -5.323 0.795 2.058) 5.762 7.393 ( -8.291 21.292 7.612) 24.084 7.904 ( -2.839 -6.292 1.957) 7.175 8.149 ( 1.044 -10.676 -13.122) 16.948 8.456 ( 0.509 -8.163 2.153) 8.457 8.783 ( -6.171 11.213 6.474) 14.343 8.890 ( 1.121 -4.759 -22.750) 23.270 9.025 ( 2.984 -7.987 -5.782) 10.301 9.344 ( 9.045 6.787 4.349) 12.115 9.680 ( 10.363 -8.182 2.256) 13.395 9.752 ( -1.031 7.903 4.208) 9.012 9.918 ( 5.077 -9.138 7.869) 13.084 10.538 ( 2.256 -10.563 -3.705) 11.419 10.730 ( -1.614 12.471 2.819) 12.887 11.143 ( -4.038 13.003 -7.238) 15.420 11.346 ( -1.214 -6.952 2.450) 7.471 11.676 ( -4.214 6.430 -7.377) 10.654 11.896 ( 0.826 1.275 -1.550) 2.170 11.981 ( -8.257 -3.427 1.653) 9.092 12.266 ( -15.739 5.666 -0.488) 16.735 13.000 ( 4.611 -14.719 5.304) 16.311 13.147 ( 1.776 -3.070 -2.580) 4.386 13.263 ( -9.719 -18.891 -3.366) 21.510 13.447 ( 2.222 0.676 8.578) 8.887 13.910 ( -2.527 1.605 -3.890) 4.908 14.062 ( 3.356 -1.439 -3.685) 5.188 14.339 ( -1.054 5.712 6.964) 9.069 14.705 ( 0.720 -2.197 -0.022) 2.313 15.062 ( -0.611 -2.755 16.290) 16.533 15.488 ( -2.651 -0.260 -10.394) 10.730 15.639 ( -5.182 15.997 4.141) 17.318 16.065 ( -1.081 -0.680 -11.633) 11.703 16.278 ( -5.820 -11.381 11.315) 17.071 16.564 ( -3.347 7.564 5.802) 10.104 17.007 ( -2.769 -3.282 -1.417) 4.521 17.180 ( 0.054 -1.520 -1.875) 2.414 17.994 ( 1.572 0.409 8.965) 9.110 18.508 ( -3.582 10.635 -9.645) 14.798 18.562 ( -4.359 -13.123 -17.850) 22.580 19.202 ( 2.005 -12.157 5.391) 13.449 19.499 ( 3.464 3.564 -2.624) 5.620 19.800 ( 2.755 10.495 2.725) 11.188 19.881 ( 3.304 2.796 -6.867) 8.118 20.151 ( 8.551 11.233 -1.603) 14.208 20.232 ( -1.371 -9.362 13.563) 16.538 20.662 ( 3.041 -0.304 -5.912) 6.656 20.963 ( 0.166 16.504 11.212) 19.953 21.190 ( -1.364 -9.782 -11.123) 14.875 21.585 ( 2.819 -3.045 3.595) 5.490 22.112 ( -1.451 0.469 5.475) 5.683 23.310 ( -11.135 2.927 9.523) 14.941 23.578 ( -4.458 -3.105 -10.453) 11.781 23.603 ( -0.585 -5.688 -4.744) 7.430 24.207 ( -4.892 -3.096 0.694) 5.830 24.458 ( -4.859 9.202 3.412) 10.951 24.781 ( -5.377 0.119 1.435) 5.567 25.021 ( -2.583 -1.500 -1.105) 3.185 25.117 ( -4.903 12.099 -1.742) 13.170 25.967 ( -2.623 3.204 2.830) 5.015 26.278 ( -2.866 6.067 4.072) 7.848 27.234 ( -0.840 -11.023 -9.150) 14.350 27.499 ( -8.586 -11.911 0.923) 14.712 28.151 ( 1.002 9.621 1.880) 9.854 28.905 ( 7.836 0.570 -0.192) 7.859 29.027 ( 1.759 4.041 1.072) 4.536 29.156 ( -1.345 -2.280 -2.898) 3.925 29.658 ( -0.474 2.243 12.533) 12.741 29.875 ( 4.217 3.265 -1.530) 5.548 29.975 ( 3.271 22.497 13.157) 26.266 30.562 ( -5.906 -5.045 -1.222) 7.863 30.973 ( -2.800 2.168 4.076) 5.400 31.055 ( 1.057 1.498 -13.434) 13.559 31.310 ( 2.387 -2.020 -3.932) 5.024 31.814 ( 13.219 -0.367 -0.219) 13.226 32.653 ( -2.860 -5.782 4.226) 7.712 32.749 ( 6.526 7.764 5.701) 11.635 32.865 ( -1.106 -6.276 -1.912) 6.653 33.048 ( 6.011 0.150 -10.881) 12.432 33.207 ( 1.576 6.983 -1.086) 7.241 33.714 ( -2.308 18.268 1.100) 18.446 34.271 ( 0.142 -5.151 2.545) 5.747 38.022 ( 20.568 -53.485 -0.078) 57.304 ======================= Grid point 14 (10/136) ======================= q-point: ( 0.27 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.577 ( 30.359 8.156 -2.341) 31.522 2.731 ( 29.291 12.997 -1.420) 32.077 3.498 ( 6.259 -2.569 0.438) 6.780 3.704 ( 2.967 4.787 0.036) 5.632 3.932 ( 7.705 0.730 -0.601) 7.763 4.119 ( -0.291 -4.512 7.225) 8.523 4.334 ( 31.300 1.575 -7.309) 32.180 4.487 ( 10.017 -0.530 4.263) 10.899 4.677 ( 7.160 2.310 2.392) 7.894 4.855 ( -13.125 3.056 1.035) 13.516 5.232 ( 1.600 -3.373 -2.821) 4.680 5.402 ( -6.051 -2.704 0.692) 6.664 6.287 ( -12.634 -7.579 -3.323) 15.103 6.630 ( -9.769 0.302 -1.904) 9.957 6.913 ( -12.325 12.731 -4.405) 18.259 7.363 ( 3.444 5.987 10.398) 12.483 7.808 ( -6.436 -0.892 1.457) 6.659 8.175 ( 1.842 -6.969 -9.156) 11.653 8.481 ( 1.095 -9.674 7.129) 12.067 8.637 ( -7.327 8.029 10.640) 15.210 8.894 ( 0.288 -1.575 -22.231) 22.289 9.053 ( -0.400 -5.865 -7.601) 9.609 9.554 ( 8.563 7.524 6.617) 13.181 9.767 ( 4.000 7.799 -1.662) 8.921 9.875 ( 6.240 -7.346 2.584) 9.979 10.038 ( 7.295 -10.617 6.217) 14.304 10.544 ( -0.689 -5.388 -1.764) 5.711 10.736 ( 2.498 8.236 -2.338) 8.918 11.055 ( -3.824 12.777 -4.468) 14.065 11.287 ( -4.270 -2.263 -0.940) 4.924 11.592 ( -3.452 4.743 -9.159) 10.876 11.786 ( -7.900 -2.270 0.823) 8.261 11.948 ( -0.337 -0.725 5.488) 5.546 12.034 ( -4.117 3.530 3.567) 6.491 12.971 ( -6.635 -18.937 2.891) 20.273 13.021 ( -11.218 -9.339 -4.950) 15.413 13.217 ( 3.526 -8.422 -1.886) 9.323 13.527 ( 3.729 1.836 2.983) 5.116 13.837 ( -2.788 2.256 0.811) 3.677 14.080 ( -1.562 -2.698 -2.023) 3.716 14.309 ( -1.956 6.788 6.629) 9.687 14.760 ( 4.022 -4.760 -4.122) 7.472 15.081 ( 2.189 1.375 17.599) 17.788 15.448 ( -1.462 0.612 -6.544) 6.733 15.552 ( -2.276 19.936 -1.202) 20.101 16.011 ( -3.527 0.741 -9.978) 10.609 16.147 ( -6.508 -12.062 10.526) 17.281 16.521 ( -1.395 5.065 5.950) 7.938 16.934 ( -4.112 -2.020 0.847) 4.659 17.132 ( -4.227 -2.338 -4.900) 6.881 17.990 ( -1.774 4.107 7.862) 9.046 18.470 ( -1.026 9.389 -8.156) 12.479 18.501 ( -0.865 -18.473 -16.286) 24.642 19.247 ( 1.946 -12.879 4.430) 13.758 19.573 ( 3.569 2.649 -3.666) 5.761 19.877 ( 4.561 8.218 4.479) 10.412 19.949 ( 3.143 1.848 -7.555) 8.389 20.200 ( -0.309 -4.990 7.289) 8.839 20.321 ( 6.223 10.594 6.404) 13.856 20.710 ( 1.306 -4.825 -6.202) 7.965 21.006 ( 3.393 13.967 15.034) 20.799 21.173 ( 0.389 -9.461 -14.722) 17.504 21.654 ( 3.337 2.814 3.363) 5.510 22.072 ( -2.418 0.292 6.425) 6.871 23.095 ( -8.629 4.260 5.469) 11.069 23.479 ( -4.490 -4.542 -17.651) 18.771 23.607 ( 0.123 -5.938 6.956) 9.147 24.004 ( -12.823 -2.431 -4.158) 13.698 24.428 ( 0.687 2.942 7.170) 7.781 24.674 ( -4.805 -0.219 0.139) 4.812 24.962 ( -3.031 -1.716 -2.512) 4.295 25.077 ( -0.035 5.159 -2.062) 5.556 25.918 ( -2.126 5.857 2.994) 6.913 26.232 ( -1.676 6.792 5.268) 8.757 27.166 ( -5.393 -2.354 -14.378) 15.535 27.393 ( -1.346 -19.863 4.989) 20.524 28.194 ( 2.767 8.499 2.878) 9.389 28.947 ( -0.671 9.665 -4.883) 10.850 29.098 ( -0.918 -5.160 -0.351) 5.253 29.188 ( 6.708 -3.664 -0.475) 7.658 29.649 ( -0.259 -0.879 16.685) 16.710 29.938 ( 1.943 0.814 -4.491) 4.961 30.104 ( 7.412 17.604 11.517) 22.305 30.450 ( -4.440 -4.084 -2.480) 6.523 30.899 ( -3.588 2.348 0.242) 4.295 31.055 ( -1.652 4.554 -10.878) 11.908 31.363 ( 3.170 -0.516 -2.294) 3.947 32.007 ( 3.820 -2.070 3.199) 5.396 32.487 ( -9.800 0.236 1.753) 9.959 32.653 ( -9.532 0.701 1.307) 9.647 32.982 ( 5.592 -6.574 -2.199) 8.906 33.207 ( 4.190 4.321 -3.285) 6.857 33.280 ( 7.522 0.582 -2.971) 8.108 33.773 ( 8.193 23.004 -1.512) 24.467 34.358 ( 8.242 -5.639 4.760) 11.063 38.296 ( 8.230 -36.039 -0.054) 36.967 ======================= Grid point 15 (11/136) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 20.284 2.799 0.608) 20.485 3.228 ( 16.623 3.619 -4.314) 17.551 3.657 ( 8.565 0.492 2.055) 8.822 3.778 ( 5.272 5.120 -0.302) 7.355 4.065 ( 4.400 0.165 3.277) 5.489 4.146 ( 3.314 0.833 2.458) 4.209 4.508 ( -8.321 -1.579 7.257) 11.153 4.520 ( 0.946 -1.318 -1.329) 2.097 4.691 ( 0.162 -0.465 -3.279) 3.316 5.119 ( 16.200 -6.973 -6.644) 18.847 5.263 ( -3.850 -2.521 0.556) 4.636 5.303 ( 3.877 -2.148 -0.090) 4.433 6.059 ( -8.156 -5.140 -2.846) 10.052 6.444 ( -7.565 6.894 4.041) 11.004 6.637 ( -12.591 18.740 -6.215) 23.416 7.466 ( 5.174 -5.025 9.251) 11.731 7.666 ( -6.168 3.841 -2.327) 7.629 8.221 ( 2.703 -5.534 -8.188) 10.246 8.469 ( -3.233 -8.913 14.183) 17.061 8.501 ( -5.203 2.774 7.089) 9.220 8.918 ( 2.515 4.292 -15.880) 16.641 9.016 ( -2.268 -1.841 -8.129) 8.638 9.662 ( 2.892 16.314 4.294) 17.116 9.902 ( 5.647 0.179 -2.902) 6.352 9.933 ( 1.879 -7.152 4.297) 8.553 10.223 ( 8.632 -11.977 2.295) 14.941 10.515 ( -2.111 -5.038 -1.254) 5.605 10.825 ( 5.471 8.575 -5.858) 11.738 11.008 ( -0.111 11.775 0.939) 11.812 11.192 ( -4.154 0.738 -4.516) 6.180 11.533 ( -2.188 1.114 0.103) 2.457 11.631 ( -6.351 4.757 -3.829) 8.811 11.945 ( 1.608 -4.291 5.175) 6.912 12.038 ( 1.184 -1.615 6.515) 6.816 12.745 ( -11.109 -12.903 -7.957) 18.794 12.856 ( -6.990 -13.250 3.662) 15.422 13.274 ( 2.018 -4.915 -0.790) 5.372 13.552 ( -1.138 -0.413 -3.280) 3.496 13.849 ( 3.275 1.726 4.690) 5.975 14.027 ( -2.495 -1.230 -0.818) 2.900 14.261 ( -2.580 7.374 5.592) 9.607 14.832 ( 2.346 -9.677 -2.931) 10.379 15.152 ( 3.671 3.875 8.625) 10.144 15.420 ( -0.531 5.944 2.623) 6.518 15.563 ( 2.968 19.440 -7.293) 20.973 15.927 ( -3.990 -0.743 -5.685) 6.985 16.019 ( -5.969 -10.273 7.611) 14.110 16.502 ( -0.544 1.475 5.052) 5.291 16.842 ( -4.418 -0.061 0.825) 4.495 17.020 ( -5.914 -3.969 -5.206) 8.822 17.947 ( -2.024 7.663 4.909) 9.323 18.453 ( -0.269 2.253 -8.765) 9.054 18.499 ( 0.279 -15.118 -7.084) 16.698 19.276 ( 0.718 -12.078 1.715) 12.221 19.640 ( 2.716 1.596 -3.114) 4.430 19.971 ( 3.532 7.299 5.735) 9.932 19.998 ( 1.594 3.526 -7.655) 8.577 20.233 ( 3.717 -8.122 9.754) 13.226 20.431 ( 4.348 11.954 3.819) 13.281 20.705 ( -1.518 -7.529 -6.217) 9.881 21.082 ( 2.625 4.511 17.282) 18.052 21.206 ( 3.057 -2.124 -15.521) 15.962 21.707 ( 1.353 8.124 0.431) 8.247 22.026 ( -1.829 1.662 5.450) 5.985 22.973 ( -3.225 2.570 4.571) 6.157 23.384 ( -4.068 -4.912 -14.202) 15.568 23.608 ( -0.244 -6.735 6.567) 9.410 23.734 ( -11.798 -3.595 -4.706) 13.201 24.454 ( 1.332 1.043 7.285) 7.479 24.586 ( -3.509 0.295 -2.168) 4.136 24.900 ( -2.661 -1.706 -2.320) 3.921 25.089 ( 0.800 2.870 -1.727) 3.444 25.882 ( -1.362 7.633 2.416) 8.121 26.209 ( -0.697 4.919 4.621) 6.785 27.049 ( -4.724 -0.233 -10.177) 11.222 27.403 ( 1.349 -20.397 2.574) 20.603 28.255 ( 2.786 8.629 2.730) 9.469 28.931 ( -0.508 10.412 -3.786) 11.091 29.060 ( -1.990 -4.628 -1.384) 5.224 29.295 ( 2.765 -2.558 -1.039) 3.908 29.669 ( 1.769 -3.895 13.606) 14.263 29.962 ( 0.553 -0.250 -2.365) 2.442 30.245 ( 5.127 10.938 10.166) 15.789 30.388 ( -1.178 -3.654 -4.521) 5.931 30.839 ( -1.835 2.872 -0.937) 3.534 30.984 ( -4.391 4.207 -8.357) 10.335 31.437 ( 3.539 0.161 -2.114) 4.126 31.981 ( -4.438 -1.499 8.256) 9.492 32.250 ( -12.143 4.026 -6.224) 14.226 32.525 ( -2.748 0.937 2.936) 4.129 33.057 ( 2.254 -7.946 -2.683) 8.684 33.199 ( -2.199 -0.097 1.751) 2.812 33.474 ( 8.470 1.570 -3.555) 9.319 33.980 ( 9.659 26.951 -1.731) 28.682 34.577 ( 11.126 -6.964 3.551) 13.597 38.416 ( 3.857 -28.224 -0.050) 28.486 ======================= Grid point 16 (12/136) ======================= q-point: ( 0.45 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 6.654 0.279 0.632) 6.690 3.417 ( 3.437 -1.115 -1.759) 4.019 3.749 ( 1.076 6.484 0.290) 6.579 3.969 ( 8.465 -0.963 0.441) 8.531 4.144 ( 3.620 1.374 2.210) 4.458 4.213 ( 1.973 3.305 0.624) 3.900 4.320 ( -7.137 0.677 1.026) 7.243 4.538 ( 0.537 -4.268 -0.056) 4.302 4.722 ( 1.147 -4.019 -0.967) 4.290 5.153 ( -3.621 -1.500 0.538) 3.956 5.244 ( 1.274 -2.297 -1.219) 2.896 5.461 ( 5.511 -13.505 -2.699) 14.834 5.942 ( -3.621 -5.520 -0.123) 6.603 6.301 ( -5.488 11.955 1.370) 13.226 6.474 ( -2.434 25.348 -1.739) 25.524 7.525 ( -0.623 -2.369 7.197) 7.602 7.604 ( 0.884 -3.724 -5.181) 6.442 8.282 ( 3.434 -7.141 -10.242) 12.949 8.369 ( -4.929 -0.499 13.403) 14.290 8.439 ( -1.569 -3.747 2.455) 4.747 8.947 ( -0.342 -0.829 -3.209) 3.332 9.000 ( 1.139 10.349 -5.784) 11.910 9.702 ( 0.966 16.874 0.663) 16.914 9.947 ( 1.287 -9.387 2.603) 9.826 9.990 ( 1.006 -0.203 -1.038) 1.460 10.351 ( 3.189 -11.870 1.132) 12.343 10.468 ( -1.682 -2.615 -1.273) 3.359 10.928 ( 3.520 6.845 -4.018) 8.682 11.040 ( 2.078 11.972 4.632) 13.004 11.126 ( -2.028 0.172 -4.966) 5.367 11.498 ( -1.325 5.073 11.381) 12.530 11.535 ( -2.356 2.919 -11.964) 12.539 12.000 ( 2.551 -5.518 1.276) 6.211 12.051 ( -0.133 -7.562 5.147) 9.148 12.565 ( -5.048 -2.936 -5.393) 7.949 12.741 ( -3.327 -19.039 2.162) 19.448 13.302 ( 0.701 -0.622 0.148) 0.949 13.522 ( -1.009 -0.354 -1.887) 2.169 13.896 ( 0.435 -2.293 0.449) 2.376 14.013 ( 0.918 0.624 1.088) 1.554 14.218 ( -1.303 7.936 2.368) 8.384 14.858 ( 0.450 -12.592 -0.584) 12.614 15.203 ( 0.957 2.309 1.158) 2.755 15.437 ( 1.300 11.968 2.330) 12.262 15.638 ( 3.220 21.232 -4.088) 21.860 15.860 ( -1.949 -1.465 -2.011) 3.161 15.911 ( -3.802 -13.145 3.992) 14.255 16.498 ( -0.023 -0.224 2.222) 2.233 16.771 ( -1.918 2.286 0.348) 3.004 16.915 ( -3.131 -5.884 -2.513) 7.123 17.918 ( -0.741 9.343 1.702) 9.526 18.453 ( 0.218 0.807 -3.971) 4.058 18.500 ( -0.030 -15.159 -1.474) 15.230 19.282 ( 0.034 -10.428 0.222) 10.431 19.678 ( 0.968 0.676 -1.128) 1.633 20.007 ( 0.331 3.399 1.069) 3.578 20.023 ( 0.866 6.169 -1.919) 6.519 20.333 ( 4.023 0.023 5.979) 7.206 20.496 ( 1.382 -9.208 0.667) 9.335 20.665 ( -1.446 4.752 -3.620) 6.146 21.108 ( 0.068 -6.599 7.249) 9.803 21.274 ( 2.629 6.663 -5.642) 9.118 21.709 ( -0.586 11.816 -0.794) 11.857 22.003 ( -0.514 3.319 2.139) 3.981 22.948 ( 0.059 -0.224 2.775) 2.785 23.315 ( -1.968 -4.466 -6.407) 8.054 23.539 ( -4.831 -5.024 -1.569) 7.144 23.615 ( -0.291 -6.810 2.393) 7.224 24.484 ( 1.532 0.846 5.723) 5.984 24.526 ( -2.298 0.381 -3.996) 4.626 24.859 ( -1.046 -1.420 -0.829) 1.948 25.101 ( 0.339 2.709 -0.777) 2.838 25.863 ( -0.474 8.350 0.953) 8.418 26.202 ( -0.133 2.202 1.863) 2.888 26.979 ( -1.709 0.632 -3.704) 4.128 27.429 ( 0.760 -19.299 0.739) 19.328 28.299 ( 1.169 9.053 1.147) 9.200 28.926 ( -0.050 11.551 -1.424) 11.639 29.027 ( -0.913 -5.164 -0.677) 5.287 29.319 ( 0.210 -1.495 -0.136) 1.516 29.707 ( 1.140 -5.827 4.792) 7.630 29.967 ( 0.086 -0.695 -0.845) 1.098 30.304 ( 0.867 9.485 4.983) 10.749 30.396 ( 1.004 -6.415 -2.502) 6.958 30.828 ( 0.610 3.660 -0.226) 3.718 30.896 ( -3.228 2.397 -3.893) 5.597 31.489 ( 1.199 -0.040 -1.285) 1.758 31.923 ( 0.108 -0.236 9.032) 9.036 32.030 ( -7.818 7.133 -7.385) 12.905 32.498 ( -0.448 0.566 0.761) 1.049 33.086 ( 0.707 -8.455 -1.076) 8.553 33.159 ( -1.197 -2.473 0.708) 2.838 33.598 ( 3.134 3.304 -1.043) 4.671 34.124 ( 3.687 28.064 -0.506) 28.310 34.756 ( 4.873 -7.620 1.117) 9.113 38.467 ( 1.188 -25.062 -0.019) 25.090 ======================= Grid point 22 (13/136) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.000 35.990 0.000) 35.990 1.918 ( 0.000 42.276 0.000) 42.276 3.028 ( 0.000 21.260 0.000) 21.260 3.182 ( 0.000 27.594 0.000) 27.594 3.600 ( 0.000 -2.681 0.000) 2.681 3.759 ( 0.000 0.848 0.000) 0.848 3.950 ( 0.000 9.018 0.000) 9.018 4.138 ( 0.000 -11.931 0.000) 11.931 4.405 ( 0.000 -7.774 0.000) 7.774 5.286 ( 0.000 3.682 0.000) 3.682 5.320 ( 0.000 -12.303 0.000) 12.303 5.652 ( 0.000 0.963 0.000) 0.963 6.476 ( 0.000 -6.349 0.000) 6.349 6.899 ( 0.000 3.742 0.000) 3.742 6.965 ( 0.000 -1.609 0.000) 1.609 7.790 ( 0.000 -16.171 0.000) 16.171 7.874 ( 0.000 -6.359 0.000) 6.359 7.998 ( 0.000 -26.164 0.000) 26.164 8.132 ( 0.000 5.193 0.000) 5.193 8.691 ( 0.000 -9.533 0.000) 9.533 8.790 ( 0.000 -0.615 0.000) 0.615 8.891 ( 0.000 -11.409 0.000) 11.409 9.335 ( 0.000 5.951 0.000) 5.951 9.574 ( 0.000 -5.618 0.000) 5.618 9.813 ( 0.000 14.556 0.000) 14.556 9.977 ( 0.000 30.179 0.000) 30.179 10.278 ( 0.000 13.654 0.000) 13.654 11.021 ( 0.000 -12.776 0.000) 12.776 11.212 ( 0.000 18.262 0.000) 18.262 11.580 ( 0.000 11.026 0.000) 11.026 11.799 ( 0.000 -2.108 0.000) 2.108 12.146 ( 0.000 6.933 0.000) 6.933 12.328 ( 0.000 -3.643 0.000) 3.643 12.331 ( 0.000 2.561 0.000) 2.561 12.675 ( 0.000 -36.511 0.000) 36.511 13.003 ( 0.000 12.344 0.000) 12.344 13.269 ( 0.000 -13.088 0.000) 13.088 13.350 ( 0.000 7.942 0.000) 7.942 13.892 ( 0.000 3.571 0.000) 3.571 14.145 ( 0.000 12.477 0.000) 12.477 14.305 ( 0.000 -2.735 0.000) 2.735 14.789 ( 0.000 1.657 0.000) 1.657 14.884 ( 0.000 -11.518 0.000) 11.518 15.381 ( 0.000 -14.436 0.000) 14.436 15.765 ( 0.000 -11.166 0.000) 11.166 16.140 ( 0.000 -17.913 0.000) 17.913 16.238 ( 0.000 24.797 0.000) 24.797 16.876 ( 0.000 -0.253 0.000) 0.253 17.030 ( 0.000 4.127 0.000) 4.127 17.079 ( 0.000 5.509 0.000) 5.509 17.965 ( 0.000 1.367 0.000) 1.367 18.260 ( 0.000 -21.920 0.000) 21.920 18.957 ( 0.000 -4.843 0.000) 4.843 19.036 ( 0.000 5.540 0.000) 5.540 19.635 ( 0.000 11.992 0.000) 11.992 19.770 ( 0.000 0.976 0.000) 0.976 19.985 ( 0.000 -2.321 0.000) 2.321 20.062 ( 0.000 -5.719 0.000) 5.719 20.114 ( 0.000 11.604 0.000) 11.604 20.728 ( 0.000 8.658 0.000) 8.658 21.041 ( 0.000 -4.907 0.000) 4.907 21.178 ( 0.000 -19.628 0.000) 19.628 21.421 ( 0.000 17.834 0.000) 17.834 22.201 ( 0.000 0.339 0.000) 0.339 23.398 ( 0.000 -6.537 0.000) 6.537 23.424 ( 0.000 -9.779 0.000) 9.779 24.010 ( 0.000 4.491 0.000) 4.491 24.097 ( 0.000 0.125 0.000) 0.125 24.958 ( 0.000 1.449 0.000) 1.449 24.968 ( 0.000 -3.036 0.000) 3.036 25.065 ( 0.000 20.027 0.000) 20.027 25.943 ( 0.000 -4.674 0.000) 4.674 25.987 ( 0.000 0.916 0.000) 0.916 26.483 ( 0.000 -4.865 0.000) 4.865 26.908 ( 0.000 -11.777 0.000) 11.777 27.310 ( 0.000 -15.597 0.000) 15.597 28.417 ( 0.000 11.665 0.000) 11.665 29.026 ( 0.000 -2.950 0.000) 2.950 29.192 ( 0.000 7.894 0.000) 7.894 29.278 ( 0.000 8.378 0.000) 8.378 29.758 ( 0.000 8.222 0.000) 8.222 29.853 ( 0.000 7.901 0.000) 7.901 30.586 ( 0.000 -1.688 0.000) 1.688 30.606 ( 0.000 -7.313 0.000) 7.313 31.039 ( 0.000 -0.079 0.000) 0.079 31.068 ( 0.000 -0.448 0.000) 0.448 31.078 ( 0.000 -2.287 0.000) 2.287 31.436 ( 0.000 -4.414 0.000) 4.414 32.290 ( 0.000 2.060 0.000) 2.060 32.657 ( 0.000 -12.163 0.000) 12.163 32.827 ( 0.000 3.934 0.000) 3.934 33.184 ( 0.000 -4.856 0.000) 4.856 33.395 ( 0.000 9.564 0.000) 9.564 34.144 ( 0.000 -10.849 0.000) 10.849 34.290 ( 0.000 18.969 0.000) 18.969 35.141 ( 0.000 -7.646 0.000) 7.646 ======================= Grid point 23 (14/136) ======================= q-point: ( 0.09 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 17.552 30.494 -0.759) 35.193 2.112 ( 17.489 35.439 1.616) 39.552 3.127 ( 6.795 -4.204 -2.323) 8.321 3.347 ( 17.797 43.553 -3.122) 47.152 3.634 ( 3.334 -1.211 -1.994) 4.069 3.766 ( 0.852 3.842 -1.498) 4.211 3.960 ( 0.250 -2.137 8.108) 8.389 4.165 ( 3.772 -4.814 1.672) 6.340 4.466 ( 4.959 -6.144 -2.867) 8.400 5.207 ( -5.462 -4.262 -2.410) 7.335 5.320 ( -1.339 -2.710 2.485) 3.913 5.599 ( -4.937 0.695 1.163) 5.119 6.454 ( -2.554 -6.148 0.704) 6.695 6.876 ( -2.616 1.039 -6.092) 6.711 7.020 ( 3.689 -2.851 3.746) 5.981 7.760 ( -3.192 -8.253 0.614) 8.870 7.856 ( -0.803 -14.813 -7.544) 16.643 8.037 ( 2.530 -20.943 -6.313) 22.020 8.104 ( -1.142 13.069 11.506) 17.449 8.732 ( 3.749 -8.282 -3.857) 9.875 8.810 ( 2.588 0.180 -0.613) 2.665 8.958 ( 4.154 -9.059 -7.696) 12.591 9.304 ( -2.153 2.927 8.661) 9.392 9.581 ( 0.576 -2.566 4.046) 4.825 9.779 ( -1.706 10.822 -7.807) 13.453 9.993 ( 1.985 20.838 12.488) 24.374 10.341 ( 4.434 10.916 -1.857) 11.927 11.015 ( -0.943 -9.764 -3.861) 10.542 11.187 ( -2.261 14.613 1.203) 14.835 11.542 ( -2.651 10.560 -2.347) 11.138 11.781 ( -2.356 -2.820 0.867) 3.775 12.082 ( -8.395 -4.715 -5.374) 11.026 12.119 ( -4.496 12.155 -4.636) 13.764 12.479 ( -1.100 -18.650 -2.832) 18.896 12.745 ( 1.912 -13.117 4.336) 13.947 12.820 ( -7.227 -0.816 -4.244) 8.421 13.194 ( -4.227 -3.174 -2.522) 5.857 13.461 ( 5.340 6.166 10.869) 13.590 13.904 ( 1.165 -1.178 1.381) 2.157 14.161 ( 0.502 13.485 -5.875) 14.718 14.329 ( 1.129 -3.982 9.307) 10.186 14.747 ( -2.052 2.039 -0.659) 2.967 14.914 ( 2.313 -8.738 4.415) 10.060 15.369 ( -0.773 -12.730 1.145) 12.805 15.817 ( 3.652 -10.052 -9.109) 14.048 16.093 ( -4.433 -15.888 5.645) 17.434 16.231 ( -0.544 22.449 -0.845) 22.471 16.815 ( -4.244 4.806 6.225) 8.937 17.006 ( -1.962 0.072 -14.938) 15.067 17.117 ( 1.659 2.491 13.811) 14.131 17.948 ( -1.186 -2.501 -6.635) 7.189 18.255 ( -0.553 -18.192 4.641) 18.782 18.903 ( -4.957 1.150 4.949) 7.098 19.010 ( -1.524 2.368 -13.708) 13.994 19.628 ( 0.323 10.873 -2.256) 11.109 19.806 ( 1.106 0.763 -0.765) 1.546 20.003 ( 3.041 -3.910 10.484) 11.596 20.112 ( 2.501 -2.765 -5.790) 6.886 20.133 ( 3.335 11.493 2.990) 12.335 20.737 ( 0.829 8.296 -7.779) 11.403 20.968 ( -4.333 -9.567 3.100) 10.951 21.275 ( 6.714 -13.911 5.021) 16.242 21.405 ( -1.327 17.633 -2.360) 17.839 22.167 ( -2.815 -0.285 3.618) 4.592 23.387 ( -1.304 -6.063 6.418) 8.925 23.430 ( 0.644 -9.079 -4.062) 9.967 23.836 ( -11.298 6.392 -7.608) 15.046 24.165 ( 1.565 -2.037 1.331) 2.893 24.890 ( -5.079 1.139 2.514) 5.781 24.939 ( -8.095 14.530 -1.151) 16.673 25.001 ( -1.255 0.378 -5.695) 5.844 25.642 ( -20.724 2.301 4.107) 21.252 26.023 ( 0.633 0.311 0.176) 0.726 26.431 ( -2.055 -0.075 2.692) 3.387 26.913 ( 0.262 -12.366 -1.794) 12.498 27.357 ( 0.965 -15.149 -0.895) 15.206 28.436 ( 0.746 12.766 0.913) 12.821 28.997 ( -7.386 14.079 1.505) 15.970 29.041 ( -3.042 -6.508 3.981) 8.213 29.273 ( -1.738 6.873 -3.119) 7.746 29.732 ( -1.650 4.473 0.247) 4.774 29.897 ( 3.329 8.418 1.191) 9.131 30.476 ( -5.928 9.285 12.057) 16.331 30.543 ( -5.966 -5.353 -2.453) 8.383 30.971 ( -2.201 -2.674 -5.677) 6.650 31.073 ( 3.847 3.824 -2.411) 5.936 31.164 ( 5.752 -2.772 5.847) 8.658 31.532 ( 7.336 -5.605 -2.353) 9.528 32.417 ( 9.346 0.124 -0.845) 9.385 32.674 ( 1.358 -9.416 0.261) 9.517 32.883 ( 5.076 6.150 -2.768) 8.441 33.142 ( -2.659 4.762 -5.608) 7.823 33.370 ( -1.457 9.870 3.848) 10.693 34.076 ( -5.594 -5.982 9.758) 12.740 34.279 ( -0.655 15.746 -8.029) 17.687 35.890 ( 52.201 -44.082 -1.037) 68.331 ======================= Grid point 24 (15/136) ======================= q-point: ( 0.18 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 22.542 22.228 -2.863) 31.787 2.554 ( 22.775 23.017 1.496) 32.415 3.282 ( 8.349 -4.855 -0.160) 9.660 3.700 ( 5.035 -1.166 -1.134) 5.291 3.816 ( 5.515 4.917 0.033) 7.389 3.885 ( 26.741 24.009 -8.165) 36.854 3.967 ( 0.913 -7.470 7.195) 10.412 4.294 ( 7.576 -2.161 2.558) 8.283 4.579 ( 5.822 -0.829 -0.805) 5.936 5.073 ( -7.813 -6.834 -3.871) 11.078 5.267 ( -3.375 3.835 4.601) 6.876 5.469 ( -6.842 -1.312 -0.261) 6.972 6.358 ( -6.721 -4.324 0.019) 7.992 6.776 ( -6.249 -2.211 -8.191) 10.537 7.070 ( 0.349 -2.153 10.553) 10.776 7.658 ( -6.184 3.029 -4.111) 8.020 7.850 ( 0.271 -19.992 -4.553) 20.506 8.028 ( -2.219 2.520 0.905) 3.477 8.170 ( 5.498 2.645 4.107) 7.355 8.829 ( 4.904 -2.310 -6.152) 8.200 8.882 ( 3.459 0.984 -4.623) 5.857 8.982 ( -2.105 -0.586 -4.310) 4.832 9.319 ( 4.678 -8.664 9.120) 13.421 9.620 ( 3.837 -0.914 3.171) 5.061 9.785 ( 2.543 5.278 1.220) 5.984 10.058 ( 3.498 12.686 9.970) 16.510 10.424 ( 3.345 6.243 -3.324) 7.824 10.960 ( -4.034 0.218 -6.389) 7.559 11.132 ( -2.734 2.544 -1.142) 3.905 11.490 ( -2.506 10.531 -4.679) 11.793 11.703 ( -4.118 -6.285 1.932) 7.759 11.922 ( -7.085 -1.281 -3.136) 7.853 12.037 ( -3.616 9.989 -6.600) 12.506 12.266 ( -14.123 -10.192 -2.772) 17.636 12.628 ( -6.095 -15.167 -4.825) 17.043 12.847 ( -2.049 -17.082 0.647) 17.217 13.154 ( 1.506 4.163 2.970) 5.331 13.549 ( 3.279 8.957 8.446) 12.740 13.932 ( 1.044 -7.339 2.494) 7.821 14.115 ( -4.498 12.445 -0.378) 13.238 14.356 ( 1.391 -2.040 8.514) 8.865 14.729 ( -0.049 3.593 -2.375) 4.307 14.988 ( 4.820 -4.314 7.349) 9.790 15.359 ( -0.222 -11.228 -1.035) 11.277 15.854 ( -0.605 -3.262 -11.132) 11.616 15.984 ( -5.073 -12.313 4.445) 14.039 16.222 ( -0.356 18.494 2.655) 18.687 16.731 ( -4.011 7.291 5.499) 9.974 16.952 ( -2.740 -2.533 -6.652) 7.627 17.112 ( -2.502 -2.882 4.888) 6.202 17.929 ( -0.326 -8.778 -4.963) 10.089 18.242 ( -0.638 -11.551 3.812) 12.181 18.776 ( -6.752 7.141 0.856) 9.865 18.994 ( 0.429 -2.844 -11.843) 12.187 19.658 ( 2.334 10.184 -1.726) 10.590 19.805 ( -0.068 -0.026 -6.545) 6.546 20.051 ( 0.181 -1.391 14.480) 14.548 20.199 ( 5.315 6.781 -0.112) 8.617 20.243 ( 7.232 0.020 0.571) 7.255 20.751 ( 0.280 7.136 -10.588) 12.771 20.906 ( -1.256 -9.359 2.507) 9.770 21.373 ( -0.737 16.280 -7.502) 17.941 21.427 ( 6.932 -10.230 13.602) 18.377 22.105 ( -2.867 -1.867 5.343) 6.345 23.338 ( -3.760 -1.970 6.429) 7.704 23.443 ( 0.484 -8.584 -2.562) 8.971 23.598 ( -10.537 6.473 -10.902) 16.486 24.125 ( -5.655 -5.109 -0.040) 7.621 24.692 ( -11.020 11.949 2.865) 16.505 24.802 ( -5.192 2.764 -3.890) 7.052 24.968 ( -2.355 -2.991 -5.054) 6.327 25.281 ( -12.330 2.614 3.436) 13.064 26.036 ( 0.768 3.304 2.548) 4.243 26.421 ( 0.351 5.702 5.453) 7.898 26.911 ( -0.279 -15.336 -3.227) 15.674 27.292 ( -6.440 -10.000 -1.921) 12.048 28.416 ( -1.690 14.934 -0.093) 15.029 28.939 ( 2.794 5.293 6.930) 9.157 29.031 ( 0.170 -5.394 2.051) 5.773 29.221 ( -2.591 5.401 -3.346) 6.861 29.700 ( -1.619 2.462 4.075) 5.029 29.954 ( 1.428 4.869 0.026) 5.074 30.406 ( -2.713 1.363 -3.080) 4.325 30.439 ( -1.859 9.113 9.533) 13.318 30.952 ( -0.818 -1.430 -8.385) 8.546 31.179 ( 4.752 7.139 -1.483) 8.703 31.268 ( 4.045 -1.912 3.300) 5.560 31.723 ( 9.702 -9.257 2.114) 13.575 32.531 ( 0.872 -3.149 -5.619) 6.500 32.724 ( 1.396 -6.376 -4.020) 7.665 32.978 ( 1.614 11.879 5.941) 13.380 33.127 ( 4.192 5.667 -8.474) 11.022 33.360 ( -0.045 7.578 2.673) 8.036 33.988 ( -0.843 -3.115 9.620) 10.147 34.294 ( 3.561 19.062 -5.418) 20.134 36.814 ( 34.237 -57.487 -0.815) 66.915 ======================= Grid point 25 (16/136) ======================= q-point: ( 0.27 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 21.682 12.864 -1.602) 25.262 2.996 ( 18.486 10.912 -1.523) 21.520 3.474 ( 10.083 0.903 0.978) 10.171 3.792 ( 4.889 2.786 -0.276) 5.633 3.963 ( 7.531 2.127 0.567) 7.846 4.004 ( 3.677 -5.633 4.332) 8.002 4.363 ( 13.953 0.646 -7.506) 15.857 4.442 ( 5.507 -4.211 3.842) 7.926 4.743 ( 11.194 4.078 -1.250) 11.979 4.865 ( -11.697 -2.428 -1.338) 12.021 5.216 ( -0.906 1.974 1.747) 2.787 5.332 ( -6.178 -3.380 -0.666) 7.074 6.185 ( -9.168 -0.785 -1.411) 9.309 6.660 ( -3.718 0.719 -1.794) 4.190 7.030 ( -4.293 -1.150 7.801) 8.978 7.525 ( -5.885 9.048 -1.946) 10.968 7.848 ( -1.490 -19.637 0.030) 19.694 7.966 ( -3.041 5.678 -4.701) 7.974 8.281 ( 4.628 2.047 4.770) 6.954 8.809 ( -7.576 6.774 -1.103) 10.223 8.948 ( 3.737 0.494 -0.704) 3.835 8.997 ( 4.920 3.809 -8.295) 10.370 9.488 ( 10.177 -11.776 5.992) 16.678 9.746 ( 7.380 -3.888 2.617) 8.743 9.860 ( 3.469 2.648 2.583) 5.071 10.132 ( 3.588 11.591 8.529) 14.832 10.470 ( 0.974 4.317 -6.438) 7.812 10.901 ( 0.057 4.149 -5.789) 7.123 11.071 ( -3.143 -4.685 -4.121) 6.987 11.425 ( -3.575 8.473 -7.708) 11.999 11.639 ( -2.773 -4.633 5.234) 7.519 11.749 ( -8.027 1.416 -4.717) 9.417 11.981 ( -2.065 4.091 -2.827) 5.384 12.036 ( -7.413 -4.124 1.387) 8.596 12.465 ( -8.768 -22.576 -2.819) 24.382 12.740 ( -6.901 -17.274 -4.767) 19.202 13.211 ( 2.989 5.965 4.977) 8.324 13.607 ( 1.924 8.320 3.013) 9.056 13.932 ( -1.318 -7.568 1.299) 7.791 14.035 ( -2.027 11.410 7.087) 13.584 14.367 ( -0.786 -0.515 7.547) 7.606 14.729 ( -0.217 1.473 -2.560) 2.961 15.112 ( 6.463 -1.166 5.242) 8.403 15.354 ( -0.270 -11.216 -2.398) 11.473 15.800 ( -3.381 -0.989 3.368) 4.873 15.912 ( -1.895 -1.991 -9.061) 9.469 16.209 ( -1.194 16.803 4.056) 17.327 16.644 ( -4.476 5.762 2.945) 7.868 16.891 ( -3.135 -2.861 -4.847) 6.443 17.032 ( -4.657 -5.264 2.106) 7.337 17.929 ( 0.103 -11.873 -0.944) 11.911 18.240 ( 0.594 -7.046 0.611) 7.098 18.635 ( -6.584 6.300 -1.324) 9.209 19.016 ( 1.603 -6.421 -7.318) 9.866 19.712 ( 2.654 9.869 -1.625) 10.348 19.821 ( 1.879 -1.712 -5.731) 6.270 20.043 ( -0.781 -0.606 8.842) 8.897 20.276 ( 2.207 7.427 4.744) 9.085 20.423 ( 9.077 -3.366 1.047) 9.737 20.732 ( -1.826 6.124 -9.938) 11.815 20.920 ( 2.092 -5.408 0.959) 5.878 21.367 ( 0.585 14.589 -3.038) 14.913 21.582 ( 7.374 -8.704 11.615) 16.280 22.057 ( -1.803 -2.435 4.879) 5.744 23.232 ( -6.224 6.677 4.807) 10.317 23.402 ( -6.183 -1.161 -15.197) 16.448 23.458 ( -0.753 -6.742 3.318) 7.552 23.931 ( -12.319 -5.070 -3.063) 13.669 24.525 ( -4.707 6.472 5.017) 9.446 24.701 ( -4.347 2.922 -3.519) 6.310 24.906 ( -3.166 -3.647 -4.497) 6.599 25.117 ( -4.453 -1.882 0.206) 4.839 26.056 ( 0.999 6.955 3.199) 7.720 26.419 ( -1.235 10.490 5.457) 11.889 26.919 ( 1.532 -19.267 -2.915) 19.547 27.140 ( -7.092 -5.824 -1.971) 9.386 28.410 ( 1.196 12.596 0.179) 12.653 28.982 ( -0.276 -0.849 3.096) 3.223 29.079 ( 3.672 -3.429 5.670) 7.576 29.192 ( 0.774 4.379 -4.297) 6.183 29.663 ( -1.944 1.785 7.042) 7.520 29.954 ( -0.953 -1.000 -2.287) 2.672 30.354 ( -1.873 -0.904 -8.234) 8.492 30.443 ( 0.608 12.112 12.878) 17.689 30.923 ( -1.641 1.416 -7.588) 7.892 31.199 ( -2.954 6.108 -1.222) 6.893 31.368 ( 5.571 1.731 -0.187) 5.837 31.863 ( 2.637 -11.727 5.903) 13.391 32.505 ( -3.088 2.209 -8.001) 8.856 32.647 ( -6.608 -2.321 -3.839) 7.987 32.974 ( -0.765 5.641 5.623) 8.002 33.285 ( 0.634 -0.725 -0.978) 1.373 33.343 ( 6.187 8.825 -2.242) 11.008 34.097 ( 10.364 -6.492 4.194) 12.928 34.450 ( 10.859 29.606 -0.992) 31.550 37.346 ( 18.348 -51.963 -0.482) 55.110 ======================= Grid point 26 (17/136) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 14.612 4.597 0.833) 15.341 3.285 ( 9.063 1.658 -2.151) 9.462 3.705 ( 11.975 4.216 -0.321) 12.699 3.899 ( 4.711 6.178 0.488) 7.784 4.085 ( 5.965 0.171 4.898) 7.720 4.147 ( 7.495 0.249 -3.661) 8.345 4.472 ( -2.404 -2.061 3.176) 4.485 4.495 ( -0.247 -1.125 -0.691) 1.343 4.643 ( -6.911 -3.048 -1.541) 7.709 4.967 ( 8.341 -7.254 -3.529) 11.604 5.198 ( -3.913 -3.340 -0.420) 5.162 5.240 ( -0.512 -3.596 -0.227) 3.639 6.012 ( -6.887 2.198 -1.388) 7.362 6.635 ( 0.619 8.292 4.998) 9.701 6.913 ( -5.992 1.916 -0.543) 6.315 7.440 ( -1.793 6.653 3.054) 7.537 7.744 ( -7.631 -6.478 0.591) 10.027 7.949 ( 1.158 -5.459 -7.858) 9.638 8.353 ( 2.111 0.385 4.919) 5.367 8.630 ( -8.351 5.196 3.758) 10.530 9.007 ( 1.942 6.967 -2.500) 7.652 9.143 ( 8.760 9.728 -7.081) 14.883 9.686 ( 6.605 -9.339 3.605) 11.993 9.853 ( 1.706 -3.460 6.866) 7.875 9.914 ( 2.637 -2.887 -2.522) 4.653 10.230 ( 5.601 12.876 6.843) 15.620 10.477 ( 0.455 4.375 -7.651) 8.825 10.973 ( 5.961 2.127 -1.498) 6.504 11.002 ( -3.022 -6.419 -5.939) 9.252 11.340 ( -4.226 7.250 -8.146) 11.695 11.564 ( -2.849 1.693 3.597) 4.891 11.667 ( -0.986 -3.173 -1.401) 3.606 11.890 ( -5.752 0.021 1.396) 5.919 11.965 ( -1.472 -3.686 1.554) 4.262 12.312 ( -4.790 -20.525 -0.080) 21.077 12.579 ( -8.026 -17.112 -6.387) 19.951 13.275 ( 2.919 4.844 3.971) 6.911 13.625 ( 0.020 9.110 -1.601) 9.250 13.888 ( -2.402 -5.674 0.630) 6.194 14.041 ( 1.838 9.813 8.216) 12.930 14.335 ( -2.040 -0.493 6.471) 6.803 14.714 ( -1.055 -0.832 -1.667) 2.141 15.223 ( 3.019 -1.011 0.129) 3.187 15.357 ( 1.197 -17.312 -1.141) 17.391 15.749 ( -1.293 4.589 8.729) 9.946 15.894 ( 0.201 4.878 -10.590) 11.662 16.170 ( -2.520 17.733 2.796) 18.129 16.557 ( -3.578 2.158 1.169) 4.339 16.820 ( -3.224 -3.398 -8.021) 9.289 16.941 ( -3.888 -0.776 5.587) 6.851 17.927 ( -0.222 -11.698 0.701) 11.721 18.270 ( 2.304 -4.635 -2.164) 5.610 18.509 ( -5.433 2.432 0.120) 5.954 19.047 ( 1.318 -8.944 -4.229) 9.980 19.758 ( 1.604 9.309 -1.705) 9.599 19.877 ( 3.328 -4.467 -3.172) 6.410 20.028 ( -0.848 -2.038 6.120) 6.506 20.300 ( 0.221 5.088 4.103) 6.540 20.592 ( 5.269 -3.686 -0.592) 6.458 20.695 ( 0.509 7.180 -8.541) 11.169 20.962 ( 1.111 -0.797 3.568) 3.821 21.397 ( 2.233 11.267 -0.203) 11.488 21.727 ( 5.851 -6.236 7.539) 11.400 22.035 ( -0.455 -1.870 3.284) 3.806 23.105 ( -5.409 9.746 1.599) 11.261 23.295 ( -3.647 -2.494 -9.587) 10.556 23.450 ( -0.393 -7.416 3.762) 8.325 23.660 ( -12.289 -3.750 -5.537) 13.990 24.480 ( -0.324 2.116 6.406) 6.754 24.619 ( -3.609 2.491 -3.577) 5.659 24.846 ( -2.260 -3.481 -2.884) 5.054 25.064 ( -1.223 -5.640 -1.926) 6.084 26.075 ( 0.715 10.272 2.220) 10.534 26.370 ( -3.139 10.444 3.487) 11.449 26.973 ( 3.219 -19.115 -3.616) 19.719 27.018 ( -4.404 -4.515 0.896) 6.371 28.453 ( 2.462 10.923 0.559) 11.211 28.963 ( -1.120 -1.382 1.835) 2.555 29.124 ( 1.467 2.381 1.023) 2.978 29.246 ( 2.622 -0.429 -1.388) 2.997 29.631 ( -0.990 0.226 7.751) 7.818 29.931 ( -0.925 -4.110 -3.481) 5.466 30.319 ( -1.329 0.236 -6.015) 6.165 30.453 ( 0.101 7.172 9.759) 12.111 30.890 ( -1.122 2.825 -5.919) 6.654 31.090 ( -6.546 4.035 -0.833) 7.734 31.472 ( 3.903 3.102 -2.549) 5.600 31.853 ( -2.298 -9.768 7.234) 12.371 32.377 ( -7.714 6.908 -5.673) 11.807 32.557 ( -2.000 1.616 -1.834) 3.158 32.963 ( -0.286 -0.684 1.817) 1.962 33.178 ( -5.831 -2.298 1.470) 6.438 33.564 ( 9.915 7.287 -2.400) 12.537 34.348 ( 11.887 -10.985 1.215) 16.231 34.687 ( 10.460 37.105 0.413) 38.553 37.626 ( 9.278 -45.729 -0.245) 46.662 ======================= Grid point 27 (18/136) ======================= q-point: ( 0.45 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( 2.767 -0.664 -0.372) 2.870 3.405 ( 4.377 0.218 0.539) 4.415 3.909 ( 4.972 7.223 -0.323) 8.775 3.990 ( 4.419 4.456 0.383) 6.288 4.194 ( 3.311 2.753 1.778) 4.659 4.271 ( 4.291 1.248 -6.358) 7.771 4.356 ( -5.349 3.589 6.280) 8.996 4.436 ( -3.412 -4.162 -0.419) 5.398 4.596 ( -0.376 -7.762 -1.023) 7.839 5.075 ( 0.437 -8.474 -0.942) 8.537 5.154 ( 2.838 -6.082 -1.562) 6.891 5.221 ( -2.082 -7.066 0.585) 7.390 5.905 ( -3.039 3.547 -0.297) 4.680 6.629 ( -1.452 18.223 3.744) 18.660 6.843 ( -0.516 0.300 -2.579) 2.647 7.456 ( 2.965 0.653 5.073) 5.912 7.583 ( -6.770 -0.661 -3.283) 7.553 7.976 ( 1.019 -9.101 -3.161) 9.687 8.379 ( 0.595 0.502 0.927) 1.211 8.497 ( -3.835 4.525 3.206) 6.742 9.033 ( 0.629 10.285 -1.080) 10.360 9.319 ( 6.545 15.149 -3.638) 16.899 9.692 ( -3.176 -5.288 1.707) 6.400 9.919 ( 3.101 -7.153 1.635) 7.966 9.940 ( 0.121 -6.097 0.638) 6.132 10.332 ( 3.086 13.912 3.642) 14.709 10.484 ( 0.108 5.637 -4.334) 7.111 10.952 ( -1.282 -10.182 -1.799) 10.419 11.111 ( 6.021 3.534 0.034) 6.981 11.255 ( -3.805 4.736 -4.952) 7.838 11.541 ( -0.068 2.702 3.369) 4.319 11.667 ( 0.885 2.070 -4.456) 4.992 11.775 ( -4.511 -8.771 4.305) 10.761 11.943 ( -0.540 -3.591 -0.244) 3.639 12.279 ( 0.815 -18.382 2.602) 18.583 12.429 ( -5.311 -14.770 -4.722) 16.391 13.324 ( 1.409 3.305 1.599) 3.933 13.620 ( -0.192 10.495 -1.414) 10.592 13.849 ( -1.115 -4.696 0.356) 4.840 14.083 ( 1.384 8.704 3.285) 9.406 14.300 ( -1.075 -0.548 2.648) 2.910 14.694 ( -0.592 -2.022 -0.602) 2.191 15.238 ( -0.332 -1.104 -1.035) 1.549 15.396 ( 1.495 -26.920 0.069) 26.962 15.745 ( 0.246 13.252 4.310) 13.938 15.903 ( 0.499 6.018 -4.628) 7.608 16.120 ( -1.743 18.884 1.090) 18.995 16.505 ( -1.345 -0.686 0.305) 1.540 16.771 ( -1.050 -4.368 -4.749) 6.537 16.879 ( -1.888 5.775 3.739) 7.135 17.923 ( -0.128 -10.713 0.421) 10.722 18.330 ( 3.384 -2.121 -3.397) 5.243 18.410 ( -4.213 -1.838 2.553) 5.258 19.065 ( 0.480 -10.453 -1.480) 10.568 19.778 ( 0.405 8.569 -0.818) 8.617 19.943 ( 2.448 -6.393 -1.636) 7.038 20.009 ( -1.010 -3.208 3.162) 4.616 20.299 ( -0.129 1.903 1.594) 2.486 20.596 ( -1.224 8.776 -2.240) 9.140 20.795 ( 5.274 -9.854 -4.391) 12.008 20.951 ( -1.951 9.136 4.673) 10.446 21.446 ( 1.791 8.844 0.459) 9.035 21.811 ( 1.991 -3.849 2.247) 4.882 22.035 ( 0.180 -1.355 1.307) 1.892 23.026 ( -1.985 8.065 0.290) 8.310 23.243 ( -1.228 -0.966 -2.945) 3.334 23.438 ( -1.461 -5.393 1.682) 5.835 23.472 ( -3.961 -5.129 -3.142) 7.201 24.498 ( 1.693 0.931 5.428) 5.762 24.549 ( -2.977 1.400 -4.180) 5.319 24.815 ( -0.716 -2.775 -0.895) 3.002 25.051 ( -0.164 -7.922 -1.147) 8.006 26.085 ( 0.256 12.331 0.626) 12.350 26.315 ( -1.614 8.931 1.313) 9.170 26.956 ( -1.420 -3.801 -1.768) 4.426 27.029 ( 1.567 -18.367 0.944) 18.458 28.495 ( 1.205 10.451 0.316) 10.525 28.945 ( -0.547 -1.322 0.720) 1.602 29.160 ( 1.604 7.636 -0.602) 7.825 29.264 ( -0.425 -3.026 0.000) 3.056 29.626 ( 0.087 -1.693 3.505) 3.894 29.918 ( -0.269 -5.297 -1.810) 5.604 30.299 ( -0.459 -0.624 -2.266) 2.395 30.455 ( -0.030 4.170 4.019) 5.792 30.888 ( 1.298 2.641 -3.334) 4.447 30.962 ( -5.024 2.986 0.481) 5.864 31.517 ( 0.717 2.404 -1.726) 3.045 31.821 ( -0.563 -7.711 3.890) 8.655 32.249 ( -3.611 11.361 -2.157) 12.115 32.532 ( -0.594 2.388 -0.621) 2.538 32.964 ( 0.230 -3.288 0.280) 3.308 33.085 ( -2.617 -4.551 0.544) 5.278 33.711 ( 3.761 7.928 -0.686) 8.801 34.533 ( 4.919 -13.037 0.260) 13.937 34.844 ( 4.041 40.056 0.229) 40.260 37.750 ( 2.892 -42.375 -0.073) 42.474 ======================= Grid point 33 (19/136) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.000 26.888 0.000) 26.888 2.725 ( 0.000 35.016 0.000) 35.016 2.813 ( 0.000 -16.918 0.000) 16.918 3.328 ( 0.000 -21.060 0.000) 21.060 3.766 ( 0.000 0.281 0.000) 0.281 3.811 ( 0.000 -4.951 0.000) 4.951 4.064 ( 0.000 17.121 0.000) 17.121 4.272 ( 0.000 -6.418 0.000) 6.418 4.417 ( 0.000 31.855 0.000) 31.855 4.989 ( 0.000 -20.412 0.000) 20.412 5.376 ( 0.000 5.781 0.000) 5.781 5.547 ( 0.000 -9.582 0.000) 9.582 6.536 ( 0.000 11.214 0.000) 11.214 6.820 ( 0.000 -12.038 0.000) 12.038 7.039 ( 0.000 9.552 0.000) 9.552 7.365 ( 0.000 -20.940 0.000) 20.940 7.692 ( 0.000 -3.069 0.000) 3.069 7.745 ( 0.000 -5.585 0.000) 5.585 8.277 ( 0.000 8.695 0.000) 8.695 8.489 ( 0.000 -10.989 0.000) 10.989 8.749 ( 0.000 -1.222 0.000) 1.222 8.767 ( 0.000 -1.540 0.000) 1.540 9.413 ( 0.000 2.180 0.000) 2.180 9.467 ( 0.000 -3.806 0.000) 3.806 10.175 ( 0.000 17.772 0.000) 17.772 10.395 ( 0.000 3.426 0.000) 3.426 10.624 ( 0.000 16.813 0.000) 16.813 10.821 ( 0.000 -4.607 0.000) 4.607 11.495 ( 0.000 8.267 0.000) 8.267 11.672 ( 0.000 -10.150 0.000) 10.150 11.749 ( 0.000 6.156 0.000) 6.156 11.998 ( 0.000 -22.371 0.000) 22.371 12.142 ( 0.000 1.555 0.000) 1.555 12.239 ( 0.000 -5.641 0.000) 5.641 12.590 ( 0.000 15.718 0.000) 15.718 12.920 ( 0.000 -15.613 0.000) 15.613 13.365 ( 0.000 15.592 0.000) 15.592 13.531 ( 0.000 4.486 0.000) 4.486 13.916 ( 0.000 2.526 0.000) 2.526 14.133 ( 0.000 -13.299 0.000) 13.299 14.422 ( 0.000 12.555 0.000) 12.555 14.653 ( 0.000 -10.431 0.000) 10.431 14.875 ( 0.000 7.644 0.000) 7.644 15.092 ( 0.000 -12.599 0.000) 12.599 15.629 ( 0.000 -0.334 0.000) 0.334 15.779 ( 0.000 -14.134 0.000) 14.134 16.662 ( 0.000 13.581 0.000) 13.581 16.825 ( 0.000 -4.250 0.000) 4.250 17.170 ( 0.000 8.860 0.000) 8.860 17.226 ( 0.000 5.359 0.000) 5.359 17.869 ( 0.000 -7.879 0.000) 7.879 17.888 ( 0.000 -11.823 0.000) 11.823 18.999 ( 0.000 6.765 0.000) 6.765 19.099 ( 0.000 -0.823 0.000) 0.823 19.813 ( 0.000 3.319 0.000) 3.319 19.834 ( 0.000 5.311 0.000) 5.311 19.912 ( 0.000 -3.187 0.000) 3.187 19.919 ( 0.000 -5.642 0.000) 5.642 20.353 ( 0.000 12.671 0.000) 12.671 20.696 ( 0.000 -17.966 0.000) 17.966 20.941 ( 0.000 3.331 0.000) 3.331 20.994 ( 0.000 -0.970 0.000) 0.970 21.799 ( 0.000 17.903 0.000) 17.903 22.108 ( 0.000 -10.232 0.000) 10.232 23.262 ( 0.000 -3.910 0.000) 3.910 23.276 ( 0.000 -4.298 0.000) 4.298 24.088 ( 0.000 2.564 0.000) 2.564 24.109 ( 0.000 0.320 0.000) 0.320 24.945 ( 0.000 0.413 0.000) 0.413 24.963 ( 0.000 -0.746 0.000) 0.746 25.475 ( 0.000 18.528 0.000) 18.528 25.788 ( 0.000 -10.958 0.000) 10.958 26.058 ( 0.000 6.435 0.000) 6.435 26.267 ( 0.000 -13.062 0.000) 13.062 26.849 ( 0.000 4.690 0.000) 4.690 27.026 ( 0.000 -11.503 0.000) 11.503 28.642 ( 0.000 10.105 0.000) 10.105 28.848 ( 0.000 -9.892 0.000) 9.892 29.347 ( 0.000 3.900 0.000) 3.900 29.373 ( 0.000 1.213 0.000) 1.213 30.020 ( 0.000 13.945 0.000) 13.945 30.060 ( 0.000 9.746 0.000) 9.746 30.428 ( 0.000 -8.135 0.000) 8.135 30.465 ( 0.000 -9.821 0.000) 9.821 31.062 ( 0.000 1.632 0.000) 1.632 31.068 ( 0.000 3.985 0.000) 3.985 31.100 ( 0.000 1.918 0.000) 1.918 31.273 ( 0.000 -10.180 0.000) 10.180 32.351 ( 0.000 3.891 0.000) 3.891 32.461 ( 0.000 -7.029 0.000) 7.029 32.930 ( 0.000 5.893 0.000) 5.893 33.061 ( 0.000 -6.472 0.000) 6.472 33.630 ( 0.000 12.497 0.000) 12.497 33.895 ( 0.000 -12.721 0.000) 12.721 34.653 ( 0.000 15.808 0.000) 15.808 34.940 ( 0.000 -11.760 0.000) 11.760 ======================= Grid point 34 (20/136) ======================= q-point: ( 0.09 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 10.681 23.368 0.577) 25.700 2.770 ( 4.976 16.694 1.066) 17.452 2.945 ( 11.318 -0.333 0.303) 11.327 3.383 ( 5.157 -19.487 0.933) 20.180 3.796 ( 2.766 0.501 -0.236) 2.821 3.830 ( 1.824 -3.695 1.088) 4.262 4.110 ( 4.321 13.399 -6.305) 15.426 4.220 ( -1.833 2.244 -1.854) 3.440 4.532 ( 7.973 19.402 4.434) 21.440 4.966 ( -2.077 -16.702 1.574) 16.904 5.366 ( -0.847 5.235 -2.601) 5.907 5.517 ( -2.901 -7.925 -1.745) 8.617 6.501 ( -3.381 10.099 1.975) 10.832 6.767 ( -4.843 -11.847 -2.278) 13.000 7.068 ( 2.181 8.470 2.180) 9.014 7.379 ( 1.124 -20.371 -0.506) 20.408 7.718 ( 1.826 -0.163 -0.120) 1.837 7.788 ( 3.872 -5.958 -3.013) 7.718 8.333 ( 5.371 9.779 3.026) 11.560 8.550 ( 5.770 -10.645 -0.475) 12.117 8.774 ( 2.379 -0.959 0.263) 2.579 8.814 ( 4.006 -2.946 -2.486) 5.560 9.395 ( -1.480 4.039 4.384) 6.142 9.487 ( 2.050 -5.040 4.780) 7.242 10.097 ( -7.066 19.290 -4.363) 21.001 10.364 ( -2.342 2.842 4.492) 5.809 10.601 ( -1.512 13.175 1.034) 13.302 10.837 ( 1.097 -5.390 0.928) 5.579 11.442 ( -5.476 7.312 -2.862) 9.573 11.611 ( -5.772 -10.968 -0.046) 12.394 11.722 ( -2.431 6.135 -10.195) 12.144 11.902 ( -4.405 -11.946 -7.583) 14.819 12.133 ( -2.633 -3.445 -0.792) 4.408 12.200 ( -3.333 -4.701 -5.291) 7.824 12.657 ( 2.826 6.647 6.882) 9.976 12.824 ( -10.474 -6.447 -3.878) 12.896 13.279 ( -2.459 13.114 5.530) 14.444 13.558 ( 0.927 -6.836 8.950) 11.300 13.906 ( -0.019 9.399 2.927) 9.845 14.176 ( 1.859 -11.192 3.515) 11.877 14.476 ( 3.880 14.438 -4.102) 15.503 14.715 ( 5.698 -8.702 -2.636) 10.730 14.852 ( -1.642 6.660 2.017) 7.150 15.078 ( -1.195 -14.002 1.676) 14.152 15.664 ( 3.132 -2.078 -1.598) 4.084 15.772 ( -0.532 -11.957 1.247) 12.034 16.656 ( -0.575 14.580 3.134) 14.924 16.822 ( -0.215 -3.315 6.354) 7.170 17.088 ( -6.470 7.427 -15.060) 17.995 17.188 ( -4.522 1.040 1.982) 5.045 17.822 ( -1.979 -4.081 -4.533) 6.413 17.936 ( 2.006 -12.849 14.015) 19.119 18.967 ( -2.680 6.512 -9.182) 11.571 19.068 ( -2.689 -1.057 -7.317) 7.867 19.817 ( 1.081 6.177 -0.668) 6.306 19.862 ( 1.491 5.105 -2.708) 5.968 19.923 ( 2.373 -4.135 9.450) 10.584 19.983 ( 4.387 -6.332 -1.174) 7.792 20.370 ( 1.498 11.823 3.750) 12.494 20.676 ( -1.611 -15.501 6.476) 16.876 20.937 ( 0.780 6.943 -8.270) 10.827 21.066 ( 5.386 -6.044 3.579) 8.851 21.776 ( -1.979 17.316 -2.324) 17.583 22.072 ( -3.171 -9.775 1.458) 10.380 23.270 ( 0.545 -3.584 2.785) 4.571 23.281 ( 0.508 -4.243 -1.590) 4.559 23.984 ( -7.593 7.021 -4.132) 11.136 24.104 ( -2.742 -4.244 -1.047) 5.160 24.910 ( -2.956 1.632 -1.415) 3.661 24.951 ( -1.483 -2.035 -2.320) 3.424 25.310 ( -13.849 16.171 -1.028) 21.316 25.576 ( -16.941 -8.532 1.441) 19.023 26.082 ( 2.032 6.289 2.398) 7.031 26.282 ( 1.926 -11.690 3.106) 12.248 26.861 ( 0.289 6.100 -0.361) 6.117 27.066 ( 1.930 -12.521 -0.258) 12.672 28.669 ( 2.137 9.904 2.085) 10.344 28.862 ( 1.182 -8.922 2.531) 9.349 29.256 ( -7.674 8.055 2.867) 11.488 29.337 ( -3.569 -0.362 1.487) 3.884 29.884 ( -7.183 10.323 -7.006) 14.396 30.057 ( -4.239 -0.000 -0.653) 4.289 30.384 ( 0.562 1.044 -7.149) 7.247 30.543 ( 3.769 -7.177 3.869) 8.982 31.026 ( -1.733 7.440 11.153) 13.518 31.117 ( 3.627 -1.087 10.878) 11.519 31.155 ( 6.520 3.781 -5.019) 9.055 31.340 ( 5.171 -11.549 -6.822) 14.376 32.441 ( 6.038 2.441 -1.935) 6.795 32.522 ( 4.555 -5.423 -1.936) 7.342 33.033 ( 8.604 7.467 -3.841) 12.022 33.154 ( 5.812 -3.313 -4.410) 8.013 33.597 ( -2.833 11.799 4.868) 13.074 33.851 ( -3.834 -12.328 4.957) 13.830 34.693 ( 4.771 21.518 -2.271) 22.157 35.184 ( 21.971 -26.948 -1.148) 34.788 ======================= Grid point 35 (21/136) ======================= q-point: ( 0.18 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 14.435 16.207 -0.153) 21.704 2.926 ( 9.348 5.690 1.379) 11.030 3.238 ( 15.765 6.462 -0.258) 17.040 3.533 ( 8.871 -14.663 0.650) 17.150 3.870 ( 4.198 0.920 0.641) 4.345 3.887 ( 3.726 -0.142 1.985) 4.224 4.221 ( 5.832 5.406 -7.596) 10.997 4.246 ( 4.458 -0.816 -0.149) 4.534 4.698 ( 7.230 10.920 2.613) 13.354 4.911 ( -3.204 -8.715 -0.280) 9.290 5.334 ( -2.437 3.740 -2.136) 4.949 5.424 ( -5.998 -3.900 -2.332) 7.525 6.402 ( -5.791 8.464 2.230) 10.495 6.640 ( -6.466 -11.456 -1.201) 13.209 7.103 ( 0.695 7.972 4.208) 9.042 7.402 ( 0.987 -19.640 0.332) 19.667 7.742 ( 0.141 5.348 -2.813) 6.045 7.870 ( 3.149 -6.991 -3.275) 8.338 8.470 ( 5.710 13.520 4.051) 15.225 8.712 ( 8.527 -8.990 0.291) 12.395 8.864 ( 7.251 -2.632 1.038) 7.783 8.900 ( 4.204 -4.748 -0.606) 6.371 9.382 ( 0.964 10.859 5.038) 12.010 9.564 ( 5.249 -6.331 5.788) 10.057 9.936 ( -6.529 17.967 -6.056) 20.053 10.318 ( -1.872 -4.360 4.109) 6.277 10.575 ( -1.164 10.829 2.628) 11.203 10.855 ( 0.397 -7.569 0.883) 7.631 11.274 ( -9.502 6.514 -9.455) 14.903 11.451 ( -7.473 -11.149 -11.997) 18.002 11.693 ( -0.190 8.469 -1.705) 8.641 11.857 ( -1.092 -6.061 -0.133) 6.160 12.025 ( -7.083 -3.437 -3.744) 8.718 12.107 ( -5.253 -5.943 -6.794) 10.443 12.529 ( -14.817 2.221 -4.248) 15.573 12.610 ( -7.794 -5.827 -0.283) 9.736 13.314 ( 4.102 11.778 9.928) 15.941 13.606 ( 3.214 -13.026 11.537) 17.694 13.909 ( 0.096 14.323 4.629) 15.053 14.181 ( -0.980 -8.494 3.301) 9.166 14.518 ( -0.606 16.635 0.690) 16.660 14.832 ( 2.894 -1.296 -6.748) 7.455 14.842 ( 1.547 -2.877 5.594) 6.478 15.069 ( 1.449 -13.970 0.247) 14.047 15.737 ( 2.964 -3.278 0.190) 4.424 15.777 ( 2.225 -6.978 0.104) 7.325 16.638 ( -1.397 17.194 2.689) 17.459 16.824 ( 0.143 -0.481 9.426) 9.440 16.927 ( -8.057 2.106 -13.467) 15.834 17.043 ( -8.541 -5.670 -6.057) 11.907 17.795 ( -0.745 0.375 2.917) 3.033 17.970 ( 1.056 -13.770 12.372) 18.542 18.892 ( -4.279 6.395 -10.630) 13.122 18.997 ( -3.524 -2.013 -13.012) 13.630 19.852 ( 1.796 6.729 -1.778) 7.188 19.896 ( 2.104 8.954 0.185) 9.200 19.976 ( 1.717 -4.672 5.071) 7.105 20.093 ( 5.911 -8.339 1.853) 10.388 20.413 ( 2.443 9.585 5.418) 11.278 20.652 ( -0.541 -11.796 7.060) 13.757 20.976 ( 3.107 10.208 -8.018) 13.347 21.195 ( 6.772 -10.621 5.341) 13.682 21.726 ( -2.568 16.113 -3.395) 16.666 21.998 ( -3.474 -9.224 1.867) 10.032 23.278 ( 0.047 -2.058 2.287) 3.078 23.297 ( 0.966 -4.378 -1.398) 4.697 23.791 ( -10.539 10.341 -4.926) 15.565 23.988 ( -8.173 -8.169 -1.555) 11.660 24.824 ( -5.437 3.386 -1.018) 6.486 24.896 ( -3.765 -3.328 -2.988) 5.846 25.004 ( -13.114 12.670 -3.284) 18.529 25.227 ( -14.536 -7.514 0.346) 16.367 26.142 ( 3.635 7.832 4.467) 9.722 26.356 ( 5.014 -11.134 5.534) 13.407 26.831 ( -3.392 7.631 -0.570) 8.370 27.056 ( -2.918 -12.135 -0.761) 12.504 28.700 ( 0.167 11.306 1.598) 11.419 28.891 ( 1.472 -7.695 3.251) 8.482 29.111 ( -4.452 9.434 5.037) 11.584 29.249 ( -3.985 -2.815 2.558) 5.509 29.776 ( -3.411 5.696 -5.443) 8.585 29.936 ( -5.585 -7.639 -4.806) 10.613 30.431 ( 2.371 8.425 -4.792) 9.978 30.589 ( 0.411 -2.904 4.488) 5.362 31.029 ( 0.953 9.883 3.327) 10.471 31.212 ( 3.587 -4.828 10.787) 12.351 31.299 ( 7.007 5.155 -1.927) 8.910 31.471 ( 7.084 -12.454 -3.013) 14.641 32.532 ( 2.841 2.428 -7.338) 8.235 32.608 ( 2.575 -4.683 -6.271) 8.239 33.181 ( 2.138 6.334 1.430) 6.836 33.221 ( 2.582 2.139 -4.312) 5.462 33.538 ( -2.325 10.255 5.089) 11.682 33.782 ( -1.278 -12.344 6.776) 14.139 34.892 ( 14.571 35.042 -2.290) 38.019 35.733 ( 27.688 -46.243 -1.309) 53.914 ======================= Grid point 36 (22/136) ======================= q-point: ( 0.27 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 13.157 8.541 0.270) 15.689 3.130 ( 9.607 1.179 0.676) 9.702 3.559 ( 14.287 7.291 -1.830) 16.144 3.735 ( 10.354 -8.038 -1.043) 13.149 3.970 ( 5.375 2.281 2.142) 6.219 4.000 ( 7.202 0.513 1.431) 7.361 4.345 ( 5.842 -1.522 -1.671) 6.264 4.359 ( 5.248 -2.752 -2.466) 6.418 4.806 ( 2.343 1.540 -0.971) 2.967 4.822 ( -5.465 -0.909 -0.568) 5.569 5.257 ( -4.896 1.311 -0.650) 5.110 5.281 ( -6.902 -1.493 -2.189) 7.393 6.278 ( -5.799 9.572 1.236) 11.260 6.534 ( -3.131 -12.563 1.574) 13.042 7.096 ( -1.228 10.253 5.207) 11.565 7.411 ( -0.368 -18.931 0.796) 18.952 7.723 ( -1.681 9.108 -3.571) 9.926 7.901 ( -0.035 -7.517 -1.993) 7.777 8.519 ( -0.409 13.237 1.584) 13.338 8.767 ( -3.597 -9.393 0.893) 10.097 9.055 ( 11.600 2.410 5.402) 13.021 9.116 ( 14.694 -0.502 1.569) 14.786 9.435 ( 3.202 17.642 0.725) 17.945 9.688 ( 5.785 -5.036 4.435) 8.860 9.861 ( -0.847 7.990 -5.425) 9.695 10.299 ( -0.019 -15.434 1.168) 15.478 10.551 ( -0.784 11.272 3.640) 11.871 10.840 ( -2.122 -11.451 -0.807) 11.674 11.111 ( -4.275 11.364 -12.717) 17.583 11.340 ( -3.029 -9.586 -10.463) 14.510 11.689 ( -0.599 8.459 0.757) 8.514 11.808 ( -4.783 3.496 4.513) 7.447 11.891 ( -3.976 -6.407 -3.553) 8.336 11.993 ( -5.104 -8.773 -5.775) 11.677 12.246 ( -11.650 2.733 -3.407) 12.441 12.410 ( -10.220 -12.171 -5.085) 16.687 13.395 ( 2.793 11.364 8.868) 14.682 13.659 ( 1.140 -12.507 7.867) 14.819 13.920 ( 1.138 15.220 4.427) 15.892 14.164 ( -0.177 -5.225 3.725) 6.419 14.463 ( -3.960 13.429 6.013) 15.237 14.837 ( -2.063 -16.727 6.304) 17.994 14.861 ( 0.570 7.405 -6.336) 9.763 15.131 ( 2.724 -11.234 -2.053) 11.740 15.796 ( 3.850 2.341 4.433) 6.321 15.866 ( 5.185 -3.550 -3.723) 7.304 16.585 ( -4.092 16.478 -3.913) 17.423 16.735 ( -8.624 2.422 -6.093) 10.834 16.834 ( -2.320 -2.046 0.687) 3.169 16.905 ( -1.817 -8.155 0.955) 8.409 17.786 ( -0.229 2.026 5.240) 5.623 17.992 ( 1.076 -14.649 9.470) 17.477 18.784 ( -5.803 7.900 -8.477) 12.960 18.927 ( -2.920 -5.077 -13.132) 14.379 19.875 ( 0.550 5.626 -2.915) 6.360 19.953 ( 3.084 11.180 2.517) 11.868 19.987 ( -0.661 -2.919 0.571) 3.047 20.211 ( 4.988 -10.615 3.700) 12.298 20.467 ( 2.435 6.902 3.664) 8.185 20.654 ( 0.254 -9.234 4.173) 10.136 21.064 ( 5.336 13.252 -3.110) 14.621 21.347 ( 7.645 -13.099 5.987) 16.306 21.678 ( -1.741 14.964 -2.649) 15.296 21.940 ( -1.992 -9.330 1.114) 9.605 23.274 ( -0.388 0.185 -0.295) 0.521 23.316 ( 0.824 -4.256 0.209) 4.340 23.561 ( -11.008 11.046 -3.927) 16.082 23.781 ( -11.121 -9.333 -1.233) 14.571 24.677 ( -7.468 7.150 1.249) 10.414 24.783 ( -6.222 0.519 -2.103) 6.589 24.838 ( -3.925 1.948 -5.633) 7.137 25.002 ( -7.341 -8.496 -2.382) 11.478 26.227 ( 4.201 10.254 4.121) 11.823 26.480 ( 6.394 -12.119 5.587) 14.798 26.731 ( -5.725 8.970 0.257) 10.644 26.966 ( -5.077 -10.915 -0.572) 12.051 28.690 ( -0.278 13.088 -0.065) 13.091 28.913 ( 0.414 -8.015 0.941) 8.081 29.087 ( 1.191 5.831 7.482) 9.560 29.205 ( -0.038 -3.453 2.861) 4.485 29.718 ( -2.437 3.936 -2.907) 5.467 29.844 ( -3.303 -7.697 -6.010) 10.309 30.448 ( -0.644 8.101 -3.643) 8.906 30.568 ( -2.196 -1.256 4.220) 4.920 31.032 ( -1.117 9.507 0.475) 9.584 31.216 ( -3.370 -4.994 5.256) 7.995 31.442 ( 6.272 4.883 -0.949) 8.006 31.598 ( 4.434 -11.225 1.106) 12.120 32.558 ( -0.446 2.309 -8.514) 8.833 32.598 ( -2.555 -1.923 -6.988) 7.684 33.122 ( -5.256 6.982 4.571) 9.862 33.237 ( -4.024 -3.953 1.331) 5.796 33.572 ( 7.264 12.887 0.946) 14.824 33.855 ( 8.095 -13.692 3.650) 16.319 35.248 ( 17.871 44.298 -1.157) 47.781 36.251 ( 21.278 -51.706 -0.842) 55.920 ======================= Grid point 37 (23/136) ======================= q-point: ( 0.36 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 8.650 2.559 1.161) 9.095 3.303 ( 6.604 0.083 0.382) 6.615 3.822 ( 11.395 6.657 -3.018) 13.538 3.953 ( 10.009 -4.193 -1.544) 10.961 4.090 ( 5.698 4.416 1.896) 7.454 4.168 ( 8.215 -0.645 -0.206) 8.243 4.423 ( 0.877 -1.971 0.025) 2.157 4.439 ( 1.679 -2.951 -2.869) 4.445 4.667 ( -8.216 5.446 1.565) 9.980 4.813 ( -1.123 -7.640 -0.095) 7.722 5.148 ( -4.609 -0.878 -1.715) 4.996 5.169 ( -3.654 -2.671 -1.030) 4.642 6.173 ( -4.149 13.101 0.557) 13.753 6.509 ( 0.190 -16.853 2.568) 17.048 7.063 ( -1.883 14.038 4.291) 14.799 7.383 ( -2.191 -15.908 0.242) 16.060 7.683 ( -1.815 9.664 -1.989) 10.032 7.882 ( -1.324 -7.545 -0.796) 7.702 8.496 ( -1.143 9.556 -0.813) 9.658 8.656 ( -5.826 -4.296 2.456) 7.644 9.304 ( 11.527 6.963 4.672) 14.254 9.396 ( 9.507 16.635 -0.214) 19.161 9.508 ( 5.109 6.319 0.557) 8.145 9.774 ( 1.844 -3.846 2.683) 5.039 9.851 ( -1.130 0.524 -3.459) 3.677 10.306 ( 0.378 -27.886 -1.960) 27.958 10.574 ( 3.123 13.281 4.510) 14.369 10.792 ( -1.404 -6.683 -5.073) 8.507 11.094 ( 1.761 10.011 -6.898) 12.284 11.297 ( -1.681 -7.536 -6.117) 9.851 11.670 ( -0.790 8.506 -1.154) 8.621 11.704 ( -4.054 6.658 0.009) 7.795 11.826 ( -3.521 -5.136 4.653) 7.773 11.917 ( -1.926 -8.852 -2.012) 9.280 12.056 ( -6.201 -0.622 -0.925) 6.301 12.212 ( -8.326 -14.495 -8.396) 18.707 13.432 ( 0.873 9.771 5.477) 11.236 13.658 ( -1.034 -10.846 3.093) 11.325 13.957 ( 2.037 15.932 2.781) 16.301 14.182 ( 1.569 -3.713 3.902) 5.611 14.380 ( -3.774 11.562 6.886) 13.976 14.796 ( -1.549 -23.700 5.216) 24.316 14.850 ( -1.287 10.809 -4.270) 11.693 15.145 ( -1.037 -11.800 -2.005) 12.014 15.899 ( 5.237 6.847 4.546) 9.745 15.967 ( 4.170 0.784 -4.360) 6.084 16.473 ( -5.799 8.455 -6.776) 12.290 16.557 ( -7.418 -1.729 -5.841) 9.599 16.797 ( -0.525 4.079 0.904) 4.210 16.925 ( 1.770 -3.951 5.155) 6.731 17.788 ( 0.321 3.000 4.257) 5.218 18.024 ( 1.820 -15.878 6.170) 17.132 18.660 ( -5.525 9.900 -5.517) 12.609 18.867 ( -2.620 -9.432 -8.999) 13.297 19.883 ( 0.461 3.611 -2.060) 4.183 19.959 ( -1.606 -2.469 -0.525) 2.992 20.013 ( 2.331 12.908 1.305) 13.182 20.291 ( 2.535 -9.783 4.174) 10.934 20.513 ( 1.947 2.581 -0.156) 3.237 20.653 ( -0.408 -6.954 2.396) 7.367 21.184 ( 5.587 15.613 0.407) 16.588 21.503 ( 6.646 -14.089 3.979) 16.078 21.658 ( -0.080 13.762 -0.413) 13.768 21.916 ( -0.460 -9.744 0.766) 9.785 23.264 ( -0.554 2.530 0.045) 2.590 23.326 ( -1.004 -3.598 -0.687) 3.798 23.359 ( -6.511 9.461 -1.802) 11.626 23.551 ( -10.146 -7.344 -2.441) 12.760 24.564 ( -3.302 5.976 2.166) 7.163 24.665 ( -4.985 -0.466 -2.138) 5.444 24.780 ( -1.694 -0.349 -3.752) 4.131 24.893 ( -3.595 -8.920 -3.263) 10.156 26.308 ( 3.272 12.490 1.751) 13.030 26.601 ( 1.684 -13.782 0.737) 13.904 26.620 ( -1.499 10.535 4.328) 11.488 26.867 ( -4.087 -10.321 0.236) 11.104 28.703 ( 1.319 12.340 -0.545) 12.423 28.916 ( 0.068 -6.662 -0.130) 6.663 29.133 ( 2.729 3.700 6.023) 7.577 29.232 ( 1.866 -3.289 2.028) 4.291 29.670 ( -2.044 3.547 -0.760) 4.164 29.789 ( -1.994 -7.682 -5.232) 9.506 30.414 ( -2.100 6.841 -2.388) 7.544 30.515 ( -2.689 -1.513 3.348) 4.553 30.988 ( -2.645 6.520 -1.067) 7.117 31.106 ( -6.304 -3.036 2.076) 7.298 31.541 ( 3.008 3.423 -1.450) 4.782 31.650 ( 0.939 -8.054 2.710) 8.550 32.502 ( -3.191 4.837 -4.249) 7.185 32.567 ( -0.580 -1.176 -5.199) 5.362 33.008 ( -5.045 4.153 3.377) 7.356 33.104 ( -7.037 -4.523 1.810) 8.559 33.776 ( 10.044 12.733 -0.142) 16.218 34.067 ( 10.488 -14.600 1.403) 18.032 35.578 ( 12.947 47.189 -0.456) 48.935 36.605 ( 12.726 -50.778 -0.410) 52.350 ======================= Grid point 38 (24/136) ======================= q-point: ( 0.45 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 2.314 0.521 0.245) 2.385 3.404 ( 2.909 -0.393 0.586) 2.994 4.022 ( 6.584 5.502 -1.955) 8.800 4.135 ( 7.025 0.144 0.854) 7.079 4.182 ( 2.586 3.268 -1.022) 4.291 4.301 ( 2.393 1.155 0.580) 2.720 4.388 ( -2.705 -2.488 -0.227) 3.682 4.403 ( -2.615 -4.610 -3.147) 6.163 4.532 ( -4.209 9.538 2.971) 10.841 4.801 ( 0.025 -14.660 0.360) 14.664 5.088 ( -1.102 -0.662 -0.791) 1.510 5.122 ( -1.133 -3.508 -0.457) 3.715 6.111 ( -1.670 15.910 0.163) 15.998 6.520 ( 0.444 -21.457 1.144) 21.492 7.031 ( -0.973 17.240 1.649) 17.346 7.341 ( -1.322 -12.566 -0.068) 12.635 7.654 ( -0.826 9.035 -0.496) 9.086 7.860 ( -0.596 -8.224 -0.115) 8.247 8.490 ( 0.698 6.306 -2.264) 6.737 8.554 ( -3.592 0.277 2.698) 4.501 9.482 ( 1.355 33.364 -0.060) 33.392 9.519 ( 8.384 5.905 1.130) 10.317 9.623 ( 1.685 -3.021 0.463) 3.490 9.774 ( -0.528 -2.974 0.902) 3.153 9.810 ( -1.940 -4.593 -0.870) 5.061 10.310 ( 0.105 -34.819 -1.510) 34.852 10.652 ( 2.993 12.973 3.372) 13.735 10.779 ( -0.301 1.877 -3.942) 4.376 11.146 ( 2.666 3.306 -1.806) 4.615 11.253 ( -2.208 -3.790 -2.161) 4.890 11.645 ( -1.361 5.971 0.695) 6.164 11.677 ( 1.254 7.215 -4.035) 8.362 11.751 ( -3.197 -1.737 4.860) 6.071 11.892 ( -0.699 -3.590 -1.263) 3.869 11.999 ( 0.498 -8.323 6.557) 10.607 12.069 ( -4.973 -14.717 -9.433) 18.175 13.443 ( 0.220 8.005 1.797) 8.207 13.636 ( -0.704 -9.555 0.628) 9.601 13.993 ( 1.063 16.835 0.751) 16.886 14.215 ( 1.077 -5.153 1.597) 5.501 14.322 ( -1.651 12.786 3.314) 13.311 14.780 ( -0.225 -27.846 2.564) 27.964 14.822 ( -0.961 12.481 -1.967) 12.671 15.116 ( -1.069 -11.795 -0.842) 11.873 15.985 ( 2.389 8.011 2.731) 8.795 16.026 ( 1.422 3.816 -2.944) 5.025 16.375 ( -2.739 4.834 -2.678) 6.168 16.448 ( -2.741 -3.878 -2.227) 5.245 16.798 ( 0.181 8.104 0.587) 8.127 16.955 ( 0.757 -2.390 1.892) 3.141 17.798 ( 0.347 4.078 1.641) 4.409 18.061 ( 1.169 -16.947 2.246) 17.135 18.572 ( -2.409 11.001 -1.898) 11.420 18.822 ( -1.268 -12.680 -3.231) 13.147 19.894 ( 0.534 1.237 -0.620) 1.483 19.930 ( -0.987 -0.888 -0.704) 1.502 20.046 ( 0.820 13.051 0.563) 13.089 20.323 ( 0.621 -7.138 1.964) 7.429 20.544 ( 0.872 -2.283 -1.108) 2.683 20.642 ( -0.463 -4.857 1.202) 5.024 21.268 ( 2.141 16.867 0.349) 17.006 21.602 ( 2.499 -14.378 0.661) 14.608 21.669 ( 0.706 12.590 0.944) 12.645 21.917 ( 0.302 -9.776 0.682) 9.804 23.218 ( -2.800 8.092 0.987) 8.619 23.270 ( -0.362 2.124 -3.059) 3.742 23.345 ( 0.541 -2.385 3.822) 4.537 23.389 ( -4.729 -4.042 -4.127) 7.466 24.535 ( 0.142 3.110 2.385) 3.922 24.580 ( -2.851 0.550 -2.177) 3.629 24.761 ( -0.287 -1.314 -1.168) 1.781 24.841 ( -1.334 -9.384 -1.580) 9.609 26.357 ( 1.272 13.662 -0.197) 13.722 26.536 ( -2.023 9.340 1.171) 9.628 26.687 ( 2.000 -12.623 0.933) 12.814 26.807 ( -1.542 -10.171 0.682) 10.309 28.730 ( 0.913 11.468 -0.273) 11.507 28.918 ( 0.030 -4.754 -0.036) 4.755 29.191 ( 2.211 1.756 2.511) 3.778 29.257 ( 0.193 -1.566 0.257) 1.599 29.639 ( -0.810 3.004 0.215) 3.119 29.758 ( -0.820 -8.159 -2.248) 8.502 30.377 ( -1.081 6.040 -0.840) 6.193 30.472 ( -1.153 -2.242 1.405) 2.886 30.947 ( -0.751 3.070 -1.145) 3.362 30.993 ( -3.682 -0.513 0.895) 3.823 31.570 ( 0.307 2.780 -0.823) 2.915 31.660 ( 0.222 -6.498 1.415) 6.654 32.459 ( -0.906 8.189 -1.249) 8.333 32.558 ( -0.189 -1.089 -1.750) 2.069 32.937 ( -1.541 0.530 1.174) 2.008 32.987 ( -3.493 -4.148 0.657) 5.462 33.931 ( 4.110 13.086 -0.089) 13.716 34.232 ( 4.434 -15.226 0.346) 15.862 35.763 ( 4.606 47.665 -0.116) 47.888 36.782 ( 4.224 -49.291 -0.117) 49.472 ======================= Grid point 77 (25/136) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 2.858 0.000 43.775) 43.868 0.857 ( -3.935 0.000 44.961) 45.133 1.478 ( -7.465 0.000 73.852) 74.229 3.327 ( 1.943 0.000 -9.758) 9.950 3.393 ( -8.461 0.000 -15.100) 17.309 3.675 ( -1.525 0.000 2.617) 3.028 3.710 ( 7.914 0.000 -0.825) 7.957 4.440 ( 2.937 0.000 -5.882) 6.574 4.781 ( 6.845 0.000 -4.961) 8.454 5.285 ( 1.693 0.000 -5.755) 5.999 5.338 ( 2.313 0.000 13.499) 13.696 5.686 ( -0.281 0.000 0.791) 0.839 6.615 ( -0.527 0.000 -6.810) 6.831 6.860 ( -2.409 0.000 -7.634) 8.005 7.196 ( -0.571 0.000 12.747) 12.760 7.316 ( -0.934 0.000 3.875) 3.986 8.211 ( -0.629 0.000 4.337) 4.382 8.296 ( 0.120 0.000 -6.316) 6.317 8.398 ( -6.624 0.000 -20.871) 21.897 8.681 ( -40.156 0.000 -4.991) 40.465 8.879 ( -6.554 0.000 -5.706) 8.690 8.955 ( 0.445 0.000 1.226) 1.305 9.295 ( -8.646 0.000 15.467) 17.720 9.513 ( 2.330 0.000 0.047) 2.331 9.616 ( 0.170 0.000 -0.271) 0.320 10.083 ( 9.489 0.000 26.939) 28.561 10.175 ( 4.711 0.000 -0.768) 4.773 10.547 ( 6.272 0.000 6.853) 9.290 10.866 ( -3.037 0.000 -11.060) 11.470 11.534 ( -5.640 0.000 -0.399) 5.654 11.682 ( -0.226 0.000 4.021) 4.027 11.756 ( 1.163 0.000 -0.414) 1.234 12.418 ( 4.865 0.000 -2.502) 5.470 12.478 ( 3.093 0.000 3.345) 4.556 12.769 ( -4.716 0.000 4.646) 6.620 13.124 ( -0.881 0.000 -2.060) 2.241 13.561 ( 10.275 0.000 -8.816) 13.539 13.600 ( -4.066 0.000 -13.924) 14.505 13.717 ( 8.450 0.000 2.250) 8.745 13.990 ( -4.166 0.000 4.611) 6.215 14.037 ( 0.560 0.000 -20.381) 20.388 14.715 ( 1.227 0.000 -1.887) 2.251 15.032 ( 5.752 0.000 -4.183) 7.112 15.508 ( -1.136 0.000 -3.691) 3.862 15.806 ( 1.293 0.000 8.878) 8.972 16.378 ( -8.512 0.000 17.526) 19.484 16.524 ( 7.765 0.000 4.576) 9.014 16.808 ( 9.681 0.000 -7.319) 12.137 17.085 ( -9.446 0.000 8.553) 12.743 17.295 ( 5.099 0.000 11.974) 13.014 18.192 ( -3.343 0.000 -5.648) 6.563 18.302 ( 3.513 0.000 -8.167) 8.890 18.737 ( -15.264 0.000 -14.967) 21.377 19.294 ( -0.491 0.000 -22.948) 22.953 19.506 ( -1.382 0.000 -9.886) 9.982 19.594 ( 2.568 0.000 17.477) 17.665 19.728 ( 2.023 0.000 2.312) 3.073 19.765 ( -3.396 0.000 -3.088) 4.590 20.386 ( 3.198 0.000 -7.285) 7.956 20.789 ( -1.447 0.000 -7.511) 7.649 20.803 ( 0.829 0.000 16.781) 16.801 21.360 ( 3.189 0.000 12.156) 12.568 21.702 ( -2.434 0.000 3.664) 4.399 22.297 ( 0.149 0.000 15.185) 15.185 23.250 ( 0.275 0.000 -17.415) 17.417 23.648 ( 2.906 0.000 1.043) 3.087 24.069 ( -13.042 0.000 3.174) 13.423 24.273 ( 3.474 0.000 -5.258) 6.302 24.446 ( 6.923 0.000 9.287) 11.584 24.887 ( 0.276 0.000 14.592) 14.595 25.097 ( -1.783 0.000 -3.518) 3.944 25.914 ( -3.572 0.000 -4.020) 5.378 26.339 ( 1.704 0.000 0.495) 1.774 27.175 ( -20.130 0.000 -15.014) 25.113 27.447 ( -3.493 0.000 3.588) 5.007 27.981 ( -3.017 0.000 7.470) 8.056 28.005 ( -0.370 0.000 -2.014) 2.048 28.598 ( 43.605 0.000 -3.139) 43.718 28.837 ( 0.136 0.000 -0.948) 0.958 28.963 ( -1.037 0.000 2.320) 2.541 29.362 ( 2.171 0.000 2.076) 3.004 29.646 ( 9.702 0.000 -9.230) 13.391 30.052 ( 16.014 0.000 -0.464) 16.020 30.652 ( 1.330 0.000 -7.356) 7.475 31.048 ( 8.980 0.000 10.642) 13.925 31.343 ( -4.877 0.000 9.281) 10.485 31.394 ( -2.755 0.000 1.800) 3.291 32.280 ( 1.036 0.000 1.461) 1.791 32.579 ( 5.608 0.000 -11.856) 13.116 32.744 ( -0.323 0.000 -0.678) 0.751 33.041 ( 84.818 0.000 1.203) 84.826 33.183 ( -2.576 0.000 1.890) 3.195 33.377 ( -3.046 0.000 2.409) 3.884 33.409 ( -89.999 0.000 -1.286) 90.008 34.428 ( 1.191 0.000 0.672) 1.368 34.600 ( -8.997 0.000 -1.535) 9.127 ======================= Grid point 78 (26/136) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 27.751 0.000 28.692) 39.916 1.463 ( 31.086 0.000 37.817) 48.954 1.910 ( 51.189 0.000 38.500) 64.051 3.294 ( -0.654 0.000 -13.325) 13.341 3.415 ( 6.130 0.000 -7.736) 9.870 3.677 ( 1.932 0.000 1.243) 2.297 3.915 ( 11.202 0.000 -0.920) 11.240 4.484 ( 1.320 0.000 -2.345) 2.691 4.824 ( -0.827 0.000 -4.538) 4.612 5.256 ( -4.482 0.000 -3.438) 5.648 5.303 ( -3.965 0.000 14.849) 15.369 5.642 ( -3.762 0.000 0.339) 3.777 6.686 ( 2.551 0.000 -6.012) 6.531 6.772 ( -5.590 0.000 -7.375) 9.254 7.213 ( -8.490 0.000 3.386) 9.140 7.494 ( 12.148 0.000 -3.670) 12.691 7.906 ( -6.776 0.000 9.045) 11.301 8.135 ( -3.312 0.000 5.355) 6.296 8.409 ( 7.446 0.000 -6.645) 9.980 8.509 ( -6.039 0.000 -7.959) 9.990 8.879 ( 2.457 0.000 -10.464) 10.749 9.028 ( 5.737 0.000 0.753) 5.786 9.238 ( -0.462 0.000 11.466) 11.475 9.622 ( -0.174 0.000 -0.497) 0.526 9.643 ( 8.632 0.000 1.687) 8.796 10.247 ( 2.452 0.000 3.612) 4.366 10.386 ( 11.617 0.000 -5.232) 12.741 10.666 ( 4.067 0.000 11.001) 11.729 10.778 ( -4.928 0.000 -14.121) 14.957 11.427 ( -3.943 0.000 -6.907) 7.953 11.646 ( -3.839 0.000 2.582) 4.626 11.831 ( 5.281 0.000 2.016) 5.653 12.165 ( -11.275 0.000 -3.317) 11.753 12.528 ( -15.964 0.000 -0.859) 15.987 12.924 ( 17.501 0.000 -7.525) 19.050 13.123 ( 1.725 0.000 -1.811) 2.501 13.524 ( -3.275 0.000 -9.668) 10.207 13.715 ( -7.762 0.000 -1.360) 7.880 13.772 ( 8.334 0.000 -11.629) 14.307 13.954 ( -1.166 0.000 2.919) 3.144 14.051 ( 1.093 0.000 -14.240) 14.282 14.741 ( 1.388 0.000 0.437) 1.456 15.150 ( 5.426 0.000 -4.072) 6.784 15.482 ( -2.188 0.000 -0.601) 2.269 15.804 ( -1.916 0.000 10.421) 10.595 16.175 ( -10.287 0.000 12.163) 15.930 16.620 ( 0.972 0.000 2.164) 2.372 16.878 ( -7.744 0.000 13.495) 15.559 16.933 ( 0.462 0.000 -5.392) 5.412 17.375 ( 1.769 0.000 17.425) 17.515 18.125 ( -2.522 0.000 -9.449) 9.780 18.285 ( -5.448 0.000 21.734) 22.406 18.394 ( -9.104 0.000 -27.799) 29.251 19.274 ( -0.731 0.000 -24.508) 24.519 19.463 ( -6.386 0.000 12.005) 13.598 19.485 ( -0.337 0.000 -12.067) 12.072 19.756 ( 1.478 0.000 6.332) 6.502 19.879 ( 11.975 0.000 6.821) 13.782 20.377 ( -0.102 0.000 -7.093) 7.093 20.728 ( -3.597 0.000 -11.012) 11.584 20.852 ( 3.187 0.000 18.079) 18.357 21.423 ( 2.015 0.000 18.512) 18.621 21.638 ( -3.388 0.000 2.356) 4.127 22.298 ( -0.458 0.000 11.808) 11.817 23.236 ( -0.937 0.000 -19.983) 20.005 23.709 ( 3.298 0.000 3.843) 5.064 23.749 ( -16.520 0.000 1.897) 16.628 24.334 ( 2.819 0.000 -2.816) 3.985 24.502 ( -3.009 0.000 11.941) 12.315 24.901 ( 1.266 0.000 9.853) 9.934 25.008 ( -6.229 0.000 -5.006) 7.991 25.624 ( -23.590 0.000 22.423) 32.546 26.184 ( -23.631 0.000 19.464) 30.615 26.343 ( -0.926 0.000 3.706) 3.820 27.334 ( -7.792 0.000 -2.267) 8.115 27.854 ( -6.535 0.000 5.089) 8.283 28.044 ( 2.131 0.000 -0.658) 2.230 28.811 ( -6.940 0.000 -1.828) 7.176 28.961 ( 8.847 0.000 -1.993) 9.068 29.045 ( 6.612 0.000 -1.319) 6.742 29.434 ( 5.580 0.000 4.525) 7.184 29.599 ( -2.113 0.000 -9.178) 9.418 30.242 ( -1.510 0.000 -4.958) 5.183 30.658 ( -1.188 0.000 -5.764) 5.886 31.041 ( -8.544 0.000 19.417) 21.213 31.228 ( -5.867 0.000 8.686) 10.482 31.465 ( 9.660 0.000 -1.935) 9.852 31.545 ( -19.113 0.000 40.112) 44.433 32.425 ( 11.396 0.000 0.742) 11.420 32.713 ( 7.291 0.000 -8.335) 11.074 32.811 ( 5.133 0.000 0.268) 5.140 33.101 ( -5.527 0.000 0.929) 5.605 33.225 ( -11.044 0.000 -0.118) 11.044 33.449 ( 2.210 0.000 -2.365) 3.237 34.456 ( 2.043 0.000 6.945) 7.239 37.258 ( 79.444 0.000 -99.253) 127.132 ======================= Grid point 79 (27/136) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 34.667 0.000 13.528) 37.213 2.086 ( 30.124 0.000 28.481) 41.456 3.146 ( 58.882 0.000 10.225) 59.763 3.346 ( 5.297 0.000 -8.059) 9.643 3.545 ( 5.686 0.000 -4.617) 7.324 3.765 ( 7.017 0.000 1.041) 7.094 4.141 ( 9.366 0.000 -1.870) 9.551 4.503 ( 1.083 0.000 2.505) 2.729 4.783 ( -2.798 0.000 0.243) 2.808 5.103 ( -9.691 0.000 0.245) 9.694 5.251 ( -1.212 0.000 8.409) 8.496 5.546 ( -5.127 0.000 -0.255) 5.133 6.613 ( -10.149 0.000 -3.451) 10.720 6.678 ( -3.594 0.000 -6.008) 7.001 6.999 ( -11.237 0.000 4.238) 12.010 7.519 ( -1.470 0.000 16.445) 16.511 8.035 ( 10.799 0.000 -16.068) 19.360 8.104 ( 0.120 0.000 4.944) 4.946 8.286 ( -13.565 0.000 -0.733) 13.585 8.561 ( 6.571 0.000 -3.854) 7.618 8.927 ( 1.015 0.000 -7.460) 7.529 9.161 ( 6.050 0.000 -1.180) 6.164 9.247 ( 0.986 0.000 7.008) 7.077 9.596 ( -1.669 0.000 -1.452) 2.212 9.838 ( 9.472 0.000 3.484) 10.092 10.306 ( 3.785 0.000 5.074) 6.330 10.528 ( 3.690 0.000 -7.237) 8.123 10.671 ( -4.605 0.000 -17.359) 17.959 10.697 ( -1.348 0.000 11.201) 11.282 11.365 ( -2.283 0.000 -9.033) 9.317 11.525 ( -7.308 0.000 5.618) 9.217 11.924 ( 0.716 0.000 -2.553) 2.651 12.016 ( -2.568 0.000 -2.952) 3.913 12.207 ( -11.229 0.000 3.577) 11.785 13.105 ( 2.422 0.000 -6.876) 7.290 13.197 ( 0.829 0.000 -0.676) 1.070 13.436 ( -4.971 0.000 -9.433) 10.662 13.537 ( -5.685 0.000 -0.907) 5.757 13.901 ( -3.099 0.000 2.806) 4.181 13.909 ( 5.639 0.000 -17.048) 17.957 14.054 ( -1.108 0.000 -9.069) 9.136 14.773 ( 1.569 0.000 0.254) 1.590 15.249 ( 3.954 0.000 -0.850) 4.044 15.407 ( -4.721 0.000 6.662) 8.166 15.722 ( -6.051 0.000 15.746) 16.869 16.002 ( -5.787 0.000 4.746) 7.485 16.573 ( -5.573 0.000 3.264) 6.458 16.758 ( -2.661 0.000 19.706) 19.885 16.912 ( -2.461 0.000 -10.852) 11.127 17.358 ( -4.005 0.000 19.837) 20.237 18.079 ( -9.404 0.000 -4.528) 10.437 18.104 ( 1.072 0.000 -11.957) 12.005 18.419 ( 4.507 0.000 -7.639) 8.869 19.264 ( 0.555 0.000 -28.283) 28.289 19.425 ( 0.987 0.000 6.535) 6.609 19.496 ( 1.703 0.000 -10.065) 10.208 19.771 ( 0.254 0.000 3.513) 3.522 20.192 ( 16.944 0.000 9.584) 19.467 20.393 ( 1.404 0.000 -6.395) 6.547 20.655 ( -2.860 0.000 -11.943) 12.281 20.934 ( 3.899 0.000 15.716) 16.193 21.439 ( -1.120 0.000 20.302) 20.333 21.578 ( -2.028 0.000 3.759) 4.271 22.274 ( -2.282 0.000 5.820) 6.252 23.210 ( -1.013 0.000 -18.384) 18.412 23.428 ( -13.485 0.000 4.867) 14.336 23.777 ( 2.724 0.000 5.552) 6.185 24.336 ( -11.886 0.000 9.896) 15.466 24.393 ( 2.706 0.000 -1.586) 3.137 24.853 ( -8.101 0.000 -5.045) 9.543 24.943 ( 2.201 0.000 4.116) 4.668 25.284 ( -9.709 0.000 23.532) 25.456 25.943 ( -7.039 0.000 1.225) 7.145 26.322 ( -0.901 0.000 7.567) 7.620 27.140 ( -9.628 0.000 -7.622) 12.280 27.767 ( -2.061 0.000 5.276) 5.664 28.089 ( 2.226 0.000 1.332) 2.594 28.678 ( -5.079 0.000 -8.414) 9.828 29.099 ( 3.571 0.000 -3.165) 4.772 29.156 ( 4.553 0.000 0.671) 4.602 29.609 ( 2.015 0.000 -13.037) 13.192 29.630 ( 12.926 0.000 4.944) 13.839 30.194 ( -1.684 0.000 7.337) 7.528 30.592 ( -4.900 0.000 -3.852) 6.232 30.941 ( -2.290 0.000 10.484) 10.731 31.106 ( -5.715 0.000 10.183) 11.677 31.445 ( -0.069 0.000 18.736) 18.737 31.723 ( 12.536 0.000 -7.143) 14.428 32.677 ( 8.452 0.000 -3.243) 9.052 32.864 ( 6.617 0.000 -5.240) 8.441 32.941 ( -12.040 0.000 5.319) 13.162 32.957 ( 8.389 0.000 0.084) 8.389 32.987 ( -4.672 0.000 -7.400) 8.751 33.459 ( -0.563 0.000 -0.922) 1.080 34.550 ( 7.286 0.000 19.663) 20.970 38.100 ( 19.600 0.000 -54.750) 58.152 ======================= Grid point 80 (28/136) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 31.920 0.000 4.502) 32.236 2.699 ( 27.180 0.000 15.813) 31.446 3.492 ( 8.741 0.000 -2.677) 9.142 3.634 ( 3.086 0.000 -1.807) 3.577 3.889 ( 10.131 0.000 -3.145) 10.608 4.251 ( 0.944 0.000 -0.226) 0.971 4.289 ( 41.253 0.000 3.380) 41.391 4.560 ( 3.971 0.000 2.415) 4.647 4.733 ( 0.083 0.000 3.293) 3.294 4.884 ( -10.300 0.000 5.935) 11.887 5.249 ( 0.720 0.000 2.071) 2.193 5.433 ( -5.791 0.000 -0.120) 5.792 6.351 ( -13.957 0.000 -0.038) 13.957 6.549 ( -7.491 0.000 -2.352) 7.852 6.769 ( -11.050 0.000 7.022) 13.093 7.536 ( 1.924 0.000 13.431) 13.568 7.999 ( -12.920 0.000 3.332) 13.343 8.129 ( 1.686 0.000 3.482) 3.869 8.245 ( 9.432 0.000 -21.141) 23.150 8.654 ( 2.012 0.000 -0.625) 2.107 8.879 ( -5.621 0.000 2.618) 6.201 9.207 ( -2.615 0.000 0.028) 2.615 9.296 ( 3.867 0.000 2.293) 4.495 9.631 ( 6.445 0.000 -4.514) 7.868 10.019 ( 7.504 0.000 2.919) 8.051 10.411 ( 5.962 0.000 2.825) 6.598 10.578 ( 1.483 0.000 -4.522) 4.759 10.598 ( -1.618 0.000 -15.959) 16.041 10.649 ( -2.166 0.000 8.456) 8.729 11.304 ( -3.790 0.000 -13.812) 14.322 11.378 ( -6.162 0.000 8.680) 10.645 11.781 ( -9.170 0.000 -5.198) 10.541 12.040 ( 3.997 0.000 2.386) 4.655 12.172 ( 3.041 0.000 11.181) 11.587 12.967 ( -14.650 0.000 -11.870) 18.855 13.173 ( -0.663 0.000 2.996) 3.068 13.322 ( -5.381 0.000 -11.155) 12.385 13.544 ( 3.104 0.000 2.502) 3.987 13.865 ( 0.421 0.000 2.655) 2.688 13.972 ( -2.283 0.000 -8.492) 8.794 14.036 ( 2.752 0.000 -15.505) 15.747 14.806 ( 1.679 0.000 -3.560) 3.936 15.307 ( 1.476 0.000 0.183) 1.487 15.311 ( -4.227 0.000 10.235) 11.073 15.597 ( -5.195 0.000 17.913) 18.651 15.929 ( -1.889 0.000 2.818) 3.393 16.424 ( -8.066 0.000 5.588) 9.812 16.735 ( -1.571 0.000 15.002) 15.084 16.846 ( -2.792 0.000 -13.530) 13.815 17.227 ( -8.465 0.000 16.853) 18.860 17.917 ( -6.203 0.000 -7.473) 9.712 18.161 ( 4.267 0.000 -10.004) 10.876 18.496 ( 2.912 0.000 -7.496) 8.042 19.287 ( 2.200 0.000 -32.626) 32.700 19.448 ( 0.349 0.000 1.235) 1.283 19.551 ( 3.656 0.000 -7.133) 8.015 19.797 ( 2.494 0.000 6.355) 6.827 20.420 ( 1.085 0.000 -3.678) 3.835 20.533 ( 10.509 0.000 7.218) 12.749 20.636 ( 5.826 0.000 -7.870) 9.791 21.005 ( 2.442 0.000 8.783) 9.116 21.381 ( -5.005 0.000 18.351) 19.022 21.567 ( 0.875 0.000 7.302) 7.354 22.201 ( -4.668 0.000 0.466) 4.691 23.185 ( -1.816 0.000 -9.949) 10.113 23.222 ( -5.287 0.000 4.990) 7.270 23.812 ( 0.289 0.000 5.751) 5.759 24.067 ( -13.104 0.000 7.803) 15.251 24.437 ( 1.339 0.000 -2.073) 2.468 24.688 ( -7.156 0.000 -3.922) 8.160 24.984 ( 1.554 0.000 0.531) 1.642 25.152 ( -4.535 0.000 17.603) 18.178 25.820 ( -4.903 0.000 -3.496) 6.022 26.309 ( -0.720 0.000 8.575) 8.605 26.968 ( -6.150 0.000 -7.499) 9.699 27.751 ( 0.045 0.000 5.088) 5.088 28.128 ( 1.214 0.000 1.330) 1.801 28.602 ( -1.886 0.000 -13.418) 13.550 29.127 ( -0.188 0.000 -1.872) 1.881 29.244 ( 3.952 0.000 0.211) 3.958 29.642 ( 0.999 0.000 -12.176) 12.217 29.927 ( 14.502 0.000 2.185) 14.666 30.177 ( -0.516 0.000 8.371) 8.387 30.464 ( -6.989 0.000 -3.140) 7.662 30.901 ( -2.046 0.000 4.684) 5.112 31.008 ( -3.746 0.000 13.115) 13.639 31.474 ( 2.307 0.000 14.171) 14.358 31.897 ( 3.291 0.000 -11.776) 12.227 32.537 ( -14.141 0.000 -4.534) 14.850 32.699 ( -10.644 0.000 3.005) 11.060 32.988 ( 5.238 0.000 -5.222) 7.396 33.134 ( 7.709 0.000 1.203) 7.803 33.186 ( 16.743 0.000 -5.983) 17.780 33.441 ( -0.638 0.000 -1.540) 1.666 34.766 ( 12.265 0.000 29.935) 32.350 38.346 ( 7.617 0.000 -35.890) 36.689 ======================= Grid point 81 (29/136) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 20.138 0.000 -1.654) 20.206 3.177 ( 17.528 0.000 6.770) 18.790 3.679 ( 1.384 0.000 0.218) 1.401 3.717 ( 13.017 0.000 0.310) 13.021 4.066 ( 7.244 0.000 -1.774) 7.458 4.227 ( -2.141 0.000 1.928) 2.881 4.546 ( -7.433 0.000 0.044) 7.433 4.606 ( -0.177 0.000 4.253) 4.257 4.778 ( 1.587 0.000 10.883) 10.998 5.096 ( 21.211 0.000 -3.825) 21.553 5.289 ( 5.094 0.000 -2.552) 5.697 5.301 ( -6.891 0.000 0.136) 6.892 6.092 ( -9.561 0.000 2.092) 9.788 6.410 ( -5.362 0.000 5.203) 7.471 6.536 ( -11.409 0.000 11.017) 15.860 7.549 ( -2.361 0.000 3.493) 4.216 7.809 ( -3.831 0.000 8.151) 9.007 8.159 ( 0.815 0.000 0.185) 0.836 8.386 ( 3.240 0.000 -25.788) 25.991 8.646 ( -2.318 0.000 1.600) 2.817 8.755 ( -3.698 0.000 10.510) 11.141 9.114 ( -4.442 0.000 1.789) 4.789 9.395 ( 5.022 0.000 2.268) 5.510 9.801 ( 7.999 0.000 -4.644) 9.250 10.144 ( 4.524 0.000 3.789) 5.902 10.529 ( 3.802 0.000 -4.446) 5.850 10.554 ( -3.620 0.000 0.549) 3.661 10.624 ( 5.644 0.000 -7.781) 9.612 10.662 ( 2.559 0.000 0.601) 2.629 11.209 ( -4.278 0.000 -20.188) 20.637 11.294 ( -1.908 0.000 11.996) 12.147 11.648 ( -3.807 0.000 1.952) 4.278 12.153 ( 5.983 0.000 6.183) 8.604 12.223 ( 1.041 0.000 11.687) 11.733 12.641 ( -14.733 0.000 -11.684) 18.803 13.127 ( -3.693 0.000 4.337) 5.697 13.222 ( -3.684 0.000 -12.489) 13.021 13.580 ( 0.170 0.000 1.649) 1.658 13.892 ( -3.538 0.000 -8.799) 9.483 13.935 ( 5.372 0.000 4.227) 6.836 14.085 ( 0.961 0.000 -10.052) 10.098 14.844 ( 2.108 0.000 -10.058) 10.276 15.252 ( -1.339 0.000 10.153) 10.241 15.305 ( -1.452 0.000 -2.354) 2.765 15.539 ( -0.874 0.000 17.541) 17.563 15.915 ( 0.424 0.000 5.197) 5.214 16.253 ( -8.357 0.000 4.728) 9.602 16.665 ( -4.869 0.000 4.362) 6.537 16.820 ( 0.482 0.000 -7.966) 7.981 17.039 ( -9.280 0.000 13.111) 16.062 17.810 ( -4.070 0.000 -5.845) 7.123 18.260 ( 5.096 0.000 -7.758) 9.282 18.552 ( 3.057 0.000 -7.119) 7.748 19.332 ( 2.612 0.000 -35.903) 35.998 19.443 ( -0.357 0.000 0.322) 0.481 19.636 ( 4.442 0.000 -4.594) 6.391 19.861 ( 2.795 0.000 8.025) 8.498 20.430 ( -0.288 0.000 -1.868) 1.890 20.564 ( -0.459 0.000 -11.390) 11.399 20.928 ( 13.287 0.000 7.272) 15.147 21.044 ( 1.538 0.000 3.928) 4.218 21.245 ( -7.050 0.000 17.479) 18.848 21.603 ( 1.862 0.000 9.322) 9.507 22.095 ( -5.009 0.000 -1.861) 5.343 23.114 ( -3.244 0.000 8.447) 9.049 23.226 ( 3.639 0.000 -4.525) 5.807 23.785 ( -3.020 0.000 2.841) 4.146 23.830 ( -9.214 0.000 9.644) 13.338 24.433 ( -1.927 0.000 -6.668) 6.941 24.580 ( -2.667 0.000 1.193) 2.922 25.006 ( 0.683 0.000 -1.709) 1.840 25.083 ( -2.552 0.000 15.430) 15.639 25.736 ( -3.082 0.000 -6.346) 7.055 26.282 ( -2.301 0.000 4.331) 4.904 26.899 ( -0.161 0.000 -2.027) 2.033 27.759 ( 0.368 0.000 5.115) 5.128 28.134 ( -0.649 0.000 -2.125) 2.222 28.594 ( 1.179 0.000 -13.992) 14.041 29.111 ( -0.951 0.000 -0.546) 1.096 29.321 ( 3.506 0.000 1.105) 3.676 29.638 ( -1.119 0.000 -11.702) 11.755 30.161 ( -1.372 0.000 6.320) 6.467 30.205 ( 11.421 0.000 1.209) 11.485 30.311 ( -7.062 0.000 -6.176) 9.382 30.857 ( -2.223 0.000 3.797) 4.399 30.964 ( -0.443 0.000 15.164) 15.171 31.540 ( 3.439 0.000 11.908) 12.394 31.853 ( -6.024 0.000 -13.240) 14.546 32.258 ( -11.786 0.000 1.137) 11.841 32.529 ( -5.270 0.000 -1.894) 5.600 33.086 ( 4.439 0.000 -4.665) 6.440 33.227 ( 0.584 0.000 2.490) 2.558 33.467 ( 3.581 0.000 -2.648) 4.453 33.506 ( 12.810 0.000 -6.541) 14.383 35.027 ( 10.914 0.000 33.547) 35.278 38.451 ( 3.662 0.000 -28.186) 28.423 ======================= Grid point 82 (30/136) ======================= q-point: ( 0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 7.415 0.000 -2.200) 7.734 3.413 ( 5.119 0.000 1.265) 5.273 3.692 ( -0.083 0.000 1.420) 1.422 3.968 ( 7.595 0.000 -2.704) 8.062 4.167 ( 1.867 0.000 -0.278) 1.888 4.177 ( -3.172 0.000 -1.394) 3.465 4.382 ( -5.568 0.000 7.523) 9.360 4.608 ( 0.435 0.000 1.759) 1.812 4.843 ( 2.828 0.000 8.674) 9.124 5.163 ( -5.283 0.000 -0.450) 5.302 5.241 ( 1.034 0.000 -1.383) 1.727 5.541 ( 12.026 0.000 -7.912) 14.396 5.997 ( 0.719 0.000 3.542) 3.614 6.323 ( -8.259 0.000 14.548) 16.729 6.328 ( -2.870 0.000 12.236) 12.568 7.466 ( -3.512 0.000 -2.235) 4.163 7.802 ( 0.009 0.000 7.735) 7.735 8.154 ( -1.296 0.000 -3.779) 3.995 8.360 ( -2.977 0.000 -16.428) 16.695 8.583 ( -3.106 0.000 2.483) 3.976 8.787 ( 5.150 0.000 2.712) 5.821 9.070 ( 0.603 0.000 3.452) 3.504 9.485 ( 3.135 0.000 4.418) 5.417 9.930 ( 4.494 0.000 -1.725) 4.813 10.219 ( 2.656 0.000 5.836) 6.412 10.448 ( -6.163 0.000 0.624) 6.194 10.554 ( -0.672 0.000 -9.318) 9.343 10.711 ( 1.713 0.000 -3.523) 3.918 10.797 ( 8.776 0.000 -2.374) 9.091 11.136 ( -2.134 0.000 -20.005) 20.119 11.298 ( 1.530 0.000 15.067) 15.145 11.605 ( -0.472 0.000 3.930) 3.958 12.185 ( -6.949 0.000 -2.351) 7.336 12.217 ( -1.787 0.000 11.949) 12.081 12.477 ( 3.410 0.000 -2.230) 4.075 13.042 ( -3.920 0.000 4.825) 6.217 13.172 ( -0.728 0.000 -13.115) 13.135 13.578 ( 0.222 0.000 3.009) 3.017 13.847 ( -0.304 0.000 -10.749) 10.753 14.021 ( 1.387 0.000 3.077) 3.375 14.065 ( -2.332 0.000 -5.718) 6.175 14.876 ( 0.872 0.000 -12.153) 12.184 15.256 ( -3.293 0.000 -5.504) 6.414 15.267 ( 2.461 0.000 9.963) 10.262 15.552 ( 1.325 0.000 15.305) 15.362 15.949 ( 2.764 0.000 8.606) 9.039 16.088 ( -7.061 0.000 1.274) 7.176 16.564 ( -4.400 0.000 1.616) 4.687 16.859 ( 3.562 0.000 -6.298) 7.236 16.874 ( -6.207 0.000 10.137) 11.886 17.742 ( -2.375 0.000 -5.216) 5.731 18.355 ( 3.967 0.000 -6.776) 7.852 18.630 ( 4.681 0.000 -4.454) 6.461 19.370 ( 1.684 0.000 -37.141) 37.180 19.449 ( 1.009 0.000 3.226) 3.380 19.721 ( 3.411 0.000 -2.476) 4.215 19.901 ( 0.740 0.000 7.352) 7.389 20.403 ( -2.218 0.000 -2.897) 3.648 20.545 ( -1.494 0.000 -19.962) 20.018 20.923 ( -11.106 0.000 12.590) 16.788 21.078 ( 1.522 0.000 4.121) 4.393 21.312 ( 10.523 0.000 12.534) 16.366 21.630 ( 0.280 0.000 8.839) 8.843 22.010 ( -2.798 0.000 -0.609) 2.863 23.046 ( -3.592 0.000 9.475) 10.133 23.363 ( 9.357 0.000 2.263) 9.627 23.695 ( -5.286 0.000 -2.664) 5.919 23.706 ( -2.737 0.000 13.627) 13.899 24.372 ( -3.046 0.000 -9.797) 10.259 24.564 ( 0.295 0.000 4.632) 4.641 25.016 ( 0.392 0.000 -2.516) 2.547 25.053 ( -0.550 0.000 14.514) 14.524 25.689 ( -1.365 0.000 -8.171) 8.285 26.214 ( -4.082 0.000 -1.117) 4.233 26.954 ( 5.074 0.000 4.464) 6.758 27.762 ( -0.365 0.000 5.349) 5.361 28.107 ( -1.667 0.000 -5.940) 6.169 28.633 ( 2.677 0.000 -12.859) 13.135 29.097 ( -0.225 0.000 0.399) 0.458 29.387 ( 2.648 0.000 4.736) 5.426 29.589 ( -3.329 0.000 -14.519) 14.896 30.121 ( -2.363 0.000 4.865) 5.408 30.151 ( -6.896 0.000 -5.877) 9.060 30.414 ( 7.140 0.000 -3.419) 7.916 30.815 ( -1.694 0.000 4.836) 5.124 31.002 ( 3.648 0.000 16.197) 16.602 31.608 ( 2.423 0.000 11.453) 11.707 31.716 ( -5.407 0.000 -12.880) 13.968 32.077 ( -4.736 0.000 3.604) 5.951 32.459 ( -2.116 0.000 -4.575) 5.040 33.174 ( 4.036 0.000 -3.131) 5.108 33.200 ( -2.091 0.000 0.786) 2.234 33.543 ( 2.567 0.000 -1.539) 2.993 33.690 ( 4.808 0.000 -6.704) 8.250 35.192 ( 3.437 0.000 33.664) 33.839 38.495 ( 1.318 0.000 -25.167) 25.202 ======================= Grid point 83 (31/136) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -7.067 0.000 0.271) 7.072 3.460 ( -0.129 0.000 0.573) 0.587 3.686 ( -0.372 0.000 1.348) 1.399 3.925 ( -11.057 0.000 -4.886) 12.088 4.082 ( -4.872 0.000 -1.985) 5.261 4.144 ( -3.580 0.000 -0.480) 3.612 4.373 ( 3.478 0.000 5.918) 6.865 4.598 ( -1.798 0.000 1.522) 2.356 4.857 ( -2.077 0.000 8.110) 8.371 5.144 ( 3.782 0.000 -1.547) 4.086 5.263 ( 1.629 0.000 -1.617) 2.295 5.664 ( -2.864 0.000 -4.072) 4.978 6.100 ( 7.496 0.000 4.012) 8.503 6.254 ( 2.752 0.000 15.225) 15.472 6.326 ( 4.190 0.000 13.698) 14.324 7.445 ( 1.582 0.000 -3.608) 3.939 7.738 ( -6.510 0.000 4.395) 7.855 8.112 ( -2.247 0.000 -5.004) 5.485 8.335 ( 1.494 0.000 -9.575) 9.691 8.537 ( -1.132 0.000 1.116) 1.590 8.917 ( 6.868 0.000 -0.319) 6.875 9.136 ( 5.138 0.000 4.545) 6.859 9.516 ( -0.287 0.000 7.107) 7.113 9.987 ( 0.511 0.000 0.649) 0.826 10.232 ( -2.636 0.000 11.068) 11.378 10.338 ( -3.215 0.000 -6.501) 7.252 10.503 ( -3.934 0.000 -11.416) 12.074 10.723 ( -0.359 0.000 -5.623) 5.634 10.896 ( -0.640 0.000 0.221) 0.677 11.154 ( 5.881 0.000 -14.905) 16.023 11.345 ( 2.447 0.000 17.051) 17.226 11.627 ( 2.189 0.000 1.980) 2.952 11.983 ( -9.422 0.000 -8.032) 12.381 12.165 ( -3.174 0.000 11.458) 11.890 12.660 ( 10.936 0.000 1.402) 11.025 12.995 ( -0.041 0.000 4.674) 4.675 13.187 ( 2.283 0.000 -13.164) 13.360 13.601 ( 1.838 0.000 4.615) 4.968 13.874 ( 2.832 0.000 -14.564) 14.837 13.971 ( -5.868 0.000 1.002) 5.953 14.008 ( -2.462 0.000 -5.641) 6.154 14.871 ( -1.052 0.000 -8.255) 8.321 15.157 ( -6.251 0.000 -8.754) 10.757 15.340 ( 3.578 0.000 12.144) 12.660 15.574 ( 0.036 0.000 15.327) 15.327 15.985 ( -2.210 0.000 -3.549) 4.181 16.041 ( 6.025 0.000 11.369) 12.867 16.490 ( -2.780 0.000 1.459) 3.140 16.806 ( -0.375 0.000 7.208) 7.218 16.967 ( 6.680 0.000 -4.332) 7.962 17.713 ( -0.103 0.000 -5.674) 5.675 18.415 ( 1.762 0.000 -6.522) 6.756 18.741 ( 5.858 0.000 -1.186) 5.977 19.380 ( 0.069 0.000 -36.790) 36.790 19.478 ( 1.201 0.000 5.289) 5.424 19.767 ( 0.887 0.000 -0.086) 0.891 19.899 ( -0.824 0.000 7.704) 7.748 20.341 ( -3.424 0.000 -5.969) 6.881 20.454 ( -7.642 0.000 -26.380) 27.464 20.717 ( -6.492 0.000 17.457) 18.625 21.100 ( 0.093 0.000 6.798) 6.798 21.485 ( 4.715 0.000 4.192) 6.309 21.619 ( -1.176 0.000 7.567) 7.658 21.989 ( 0.778 0.000 2.846) 2.951 22.980 ( -2.521 0.000 12.156) 12.415 23.581 ( -5.064 0.000 -8.195) 9.634 23.601 ( 12.802 0.000 4.708) 13.640 23.714 ( 2.752 0.000 18.349) 18.554 24.312 ( -2.509 0.000 -10.828) 11.115 24.580 ( 1.114 0.000 4.810) 4.937 25.024 ( 0.403 0.000 -2.221) 2.257 25.068 ( 1.622 0.000 13.443) 13.541 25.676 ( 0.402 0.000 -8.602) 8.611 26.125 ( -3.994 0.000 -3.569) 5.356 27.094 ( 7.812 0.000 8.650) 11.656 27.744 ( -1.504 0.000 5.270) 5.480 28.066 ( -2.068 0.000 -7.409) 7.692 28.693 ( 3.235 0.000 -12.355) 12.772 29.106 ( 1.127 0.000 0.920) 1.455 29.428 ( 0.801 0.000 8.363) 8.402 29.490 ( -5.762 0.000 -17.598) 18.517 30.019 ( -5.722 0.000 -9.714) 11.274 30.081 ( -1.318 0.000 4.601) 4.786 30.490 ( 0.071 0.000 -2.205) 2.206 30.794 ( -0.482 0.000 4.831) 4.855 31.113 ( 6.296 0.000 17.587) 18.680 31.635 ( -0.158 0.000 12.643) 12.644 31.663 ( 1.213 0.000 -13.671) 13.725 32.090 ( 5.874 0.000 3.116) 6.649 32.422 ( -1.478 0.000 -6.465) 6.632 33.165 ( -1.086 0.000 -1.027) 1.495 33.247 ( 2.957 0.000 -0.497) 2.998 33.553 ( -1.661 0.000 -1.117) 2.002 33.703 ( -3.364 0.000 -6.825) 7.609 35.168 ( -6.480 0.000 33.480) 34.101 38.496 ( -0.761 0.000 -25.112) 25.124 ======================= Grid point 84 (32/136) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -18.601 0.000 3.778) 18.981 3.290 ( -19.920 0.000 6.791) 21.046 3.662 ( -2.506 0.000 0.002) 2.506 3.666 ( -8.255 0.000 -3.426) 8.938 4.013 ( -1.523 0.000 -4.401) 4.657 4.044 ( -5.408 0.000 -1.632) 5.648 4.461 ( 3.149 0.000 -0.318) 3.165 4.551 ( -1.986 0.000 3.097) 3.679 4.801 ( -1.846 0.000 6.331) 6.594 5.266 ( 6.979 0.000 -1.462) 7.130 5.307 ( -0.771 0.000 -1.932) 2.080 5.345 ( -24.488 0.000 5.853) 25.177 6.268 ( 9.352 0.000 7.571) 12.033 6.446 ( 13.164 0.000 8.796) 15.832 6.527 ( 13.300 0.000 7.879) 15.459 7.444 ( -7.250 0.000 1.149) 7.341 7.643 ( 3.752 0.000 -1.868) 4.192 8.074 ( -1.082 0.000 -3.261) 3.436 8.412 ( 5.488 0.000 -6.124) 8.223 8.535 ( 0.597 0.000 -1.304) 1.434 9.067 ( 7.390 0.000 1.821) 7.611 9.259 ( 5.918 0.000 4.212) 7.264 9.486 ( -2.321 0.000 11.518) 11.750 9.922 ( -7.185 0.000 1.039) 7.260 10.147 ( -4.668 0.000 9.611) 10.684 10.270 ( -4.499 0.000 -9.082) 10.135 10.386 ( -7.123 0.000 -11.751) 13.741 10.704 ( -1.031 0.000 -8.183) 8.248 10.849 ( -1.453 0.000 -1.311) 1.957 11.352 ( 12.465 0.000 -6.813) 14.205 11.410 ( 3.667 0.000 17.093) 17.481 11.677 ( 2.351 0.000 0.156) 2.356 11.829 ( -4.839 0.000 -8.688) 9.944 12.099 ( -3.188 0.000 10.460) 10.935 12.866 ( 8.027 0.000 -3.530) 8.768 13.061 ( 5.961 0.000 5.142) 7.872 13.252 ( 3.925 0.000 -13.131) 13.705 13.621 ( -2.406 0.000 3.891) 4.575 13.849 ( -2.321 0.000 2.829) 3.659 13.927 ( 1.553 0.000 -20.977) 21.035 13.985 ( 0.851 0.000 -7.438) 7.486 14.839 ( -1.621 0.000 -1.725) 2.367 14.993 ( -8.941 0.000 -10.841) 14.052 15.399 ( 1.763 0.000 13.591) 13.705 15.574 ( 0.287 0.000 15.839) 15.841 16.004 ( 3.890 0.000 -6.780) 7.817 16.194 ( 7.823 0.000 15.229) 17.121 16.444 ( -1.806 0.000 1.695) 2.477 16.849 ( 3.865 0.000 4.567) 5.983 17.116 ( 7.117 0.000 -0.980) 7.184 17.740 ( 2.815 0.000 -6.719) 7.284 18.424 ( -0.694 0.000 -6.746) 6.782 18.869 ( 6.387 0.000 1.456) 6.551 19.359 ( -1.180 0.000 -34.372) 34.392 19.476 ( -1.988 0.000 4.929) 5.315 19.756 ( -1.811 0.000 1.224) 2.186 19.879 ( -1.245 0.000 9.079) 9.164 20.259 ( -9.040 0.000 -14.237) 16.865 20.268 ( -3.168 0.000 -8.999) 9.540 20.655 ( -0.962 0.000 6.488) 6.559 21.069 ( -3.322 0.000 9.611) 10.169 21.504 ( -2.454 0.000 -2.277) 3.348 21.604 ( -0.023 0.000 6.886) 6.886 22.038 ( 3.627 0.000 5.002) 6.178 22.963 ( 0.788 0.000 13.276) 13.300 23.493 ( -2.984 0.000 -11.661) 12.037 23.793 ( 5.336 0.000 13.705) 14.707 23.893 ( 13.247 0.000 12.537) 18.239 24.261 ( -2.252 0.000 -11.764) 11.977 24.614 ( 2.223 0.000 4.122) 4.683 25.022 ( -0.860 0.000 -1.173) 1.455 25.123 ( 3.307 0.000 11.875) 12.327 25.704 ( 2.473 0.000 -7.237) 7.648 26.063 ( -1.493 0.000 -3.821) 4.102 27.272 ( 8.890 0.000 11.811) 14.783 27.704 ( -2.260 0.000 4.472) 5.011 28.021 ( -2.006 0.000 -6.638) 6.934 28.759 ( 3.216 0.000 -12.905) 13.300 29.142 ( 2.230 0.000 1.135) 2.503 29.324 ( -8.780 0.000 -18.301) 20.298 29.443 ( -0.428 0.000 9.567) 9.576 29.888 ( -7.501 0.000 -11.277) 13.544 30.074 ( 0.517 0.000 5.001) 5.028 30.447 ( -2.649 0.000 -1.864) 3.239 30.795 ( 0.430 0.000 3.863) 3.886 31.258 ( 6.817 0.000 19.219) 20.393 31.612 ( -1.964 0.000 14.738) 14.868 31.753 ( 6.784 0.000 -15.520) 16.938 32.290 ( 10.141 0.000 3.388) 10.692 32.400 ( 1.735 0.000 -9.673) 9.828 33.145 ( -1.446 0.000 -1.885) 2.376 33.294 ( 1.438 0.000 2.361) 2.764 33.487 ( -3.913 0.000 -1.781) 4.300 33.557 ( -10.163 0.000 -6.604) 12.120 34.953 ( -14.115 0.000 33.071) 35.958 38.451 ( -3.107 0.000 -28.031) 28.203 ======================= Grid point 85 (33/136) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -27.112 0.000 11.742) 29.546 2.704 ( -33.344 0.000 12.512) 35.615 3.571 ( -6.007 0.000 -4.618) 7.577 3.574 ( -2.466 0.000 -0.278) 2.482 3.933 ( -5.202 0.000 0.674) 5.246 4.000 ( -0.545 0.000 -9.173) 9.190 4.434 ( -5.352 0.000 -2.852) 6.064 4.516 ( -30.674 0.000 13.844) 33.653 4.550 ( -17.502 0.000 -0.658) 17.514 4.852 ( 6.679 0.000 1.711) 6.895 5.364 ( 1.813 0.000 3.690) 4.111 5.415 ( 7.126 0.000 -1.014) 7.198 6.494 ( 11.558 0.000 5.274) 12.705 6.740 ( 14.258 0.000 6.587) 15.706 6.814 ( 12.503 0.000 -0.409) 12.510 7.220 ( -10.676 0.000 7.545) 13.074 7.840 ( 12.357 0.000 -6.145) 13.801 8.069 ( 0.617 0.000 -0.919) 1.107 8.535 ( 5.990 0.000 -1.957) 6.302 8.543 ( -0.246 0.000 -2.420) 2.433 9.204 ( 4.727 0.000 3.492) 5.877 9.355 ( 1.935 0.000 2.780) 3.387 9.448 ( -1.010 0.000 17.819) 17.848 9.716 ( -10.429 0.000 0.544) 10.443 10.022 ( -8.615 0.000 7.047) 11.130 10.180 ( -1.960 0.000 -8.149) 8.381 10.213 ( -8.542 0.000 -10.404) 13.461 10.683 ( -0.769 0.000 -12.986) 13.009 10.861 ( 1.990 0.000 -5.071) 5.447 11.509 ( 5.143 0.000 14.016) 14.929 11.604 ( 7.082 0.000 2.151) 7.401 11.771 ( 10.405 0.000 -3.306) 10.918 11.793 ( 2.038 0.000 -8.871) 9.102 12.046 ( -1.362 0.000 10.151) 10.242 12.997 ( 4.784 0.000 -5.533) 7.315 13.172 ( 2.116 0.000 -1.658) 2.688 13.327 ( 3.119 0.000 -12.969) 13.339 13.503 ( -4.979 0.000 5.774) 7.625 13.923 ( 6.588 0.000 6.796) 9.465 13.944 ( 1.200 0.000 -18.936) 18.974 13.998 ( -0.683 0.000 -19.098) 19.110 14.793 ( -5.737 0.000 -3.868) 6.919 14.835 ( -1.794 0.000 -2.727) 3.264 15.434 ( 1.781 0.000 11.291) 11.431 15.607 ( 2.559 0.000 14.723) 14.944 16.120 ( 6.811 0.000 -6.724) 9.571 16.354 ( 6.888 0.000 19.651) 20.823 16.415 ( -0.943 0.000 2.463) 2.637 16.946 ( 5.039 0.000 3.306) 6.027 17.240 ( 4.429 0.000 2.866) 5.275 17.823 ( 5.048 0.000 -7.120) 8.728 18.387 ( -2.583 0.000 -7.114) 7.568 19.004 ( 6.370 0.000 1.620) 6.573 19.327 ( -0.926 0.000 -29.457) 29.471 19.396 ( -5.450 0.000 6.285) 8.318 19.702 ( -3.165 0.000 -0.268) 3.176 19.837 ( -3.366 0.000 7.378) 8.109 20.087 ( -7.612 0.000 -7.462) 10.659 20.217 ( -1.260 0.000 -9.575) 9.657 20.660 ( 1.355 0.000 3.674) 3.916 20.977 ( -5.222 0.000 11.866) 12.965 21.415 ( -4.997 0.000 -5.457) 7.399 21.628 ( 2.081 0.000 7.153) 7.450 22.130 ( 4.748 0.000 6.711) 8.220 23.019 ( 4.197 0.000 9.628) 10.503 23.457 ( -0.162 0.000 -11.934) 11.935 23.912 ( 5.763 0.000 16.968) 17.920 24.150 ( 10.560 0.000 8.912) 13.818 24.213 ( -1.982 0.000 -12.108) 12.269 24.683 ( 4.537 0.000 4.249) 6.216 24.982 ( -2.909 0.000 0.576) 2.965 25.205 ( 4.216 0.000 10.667) 11.470 25.775 ( 4.415 0.000 -4.325) 6.180 26.072 ( 2.471 0.000 -3.079) 3.947 27.459 ( 8.126 0.000 14.814) 16.896 27.663 ( -1.137 0.000 2.876) 3.092 27.985 ( -1.163 0.000 -4.672) 4.814 28.814 ( 2.046 0.000 -16.471) 16.598 29.118 ( -10.155 0.000 -14.362) 17.590 29.193 ( 2.444 0.000 1.498) 2.867 29.428 ( -1.026 0.000 6.877) 6.953 29.670 ( -13.242 0.000 -9.137) 16.089 30.092 ( 0.677 0.000 6.764) 6.798 30.434 ( 2.012 0.000 -4.856) 5.256 30.810 ( 0.953 0.000 2.010) 2.224 31.383 ( 4.045 0.000 21.349) 21.729 31.584 ( -0.256 0.000 16.911) 16.913 31.875 ( 3.032 0.000 -13.586) 13.920 32.302 ( -2.185 0.000 -8.371) 8.652 32.665 ( 16.631 0.000 -1.506) 16.699 33.070 ( -6.056 0.000 -1.837) 6.328 33.291 ( -14.840 0.000 -4.831) 15.606 33.308 ( -0.183 0.000 4.623) 4.626 33.430 ( -0.803 0.000 -2.706) 2.823 34.650 ( -14.035 0.000 28.750) 31.993 38.343 ( -7.000 0.000 -35.607) 36.288 ======================= Grid point 86 (34/136) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -35.910 0.000 20.058) 41.132 2.031 ( -31.364 0.000 22.421) 38.554 3.364 ( -58.472 0.000 19.645) 61.684 3.439 ( -8.537 0.000 -6.190) 10.545 3.544 ( -0.324 0.000 1.606) 1.638 3.829 ( -5.113 0.000 3.438) 6.161 3.913 ( -9.040 0.000 -13.533) 16.275 4.340 ( -1.256 0.000 -4.557) 4.727 4.579 ( 2.964 0.000 -0.261) 2.976 5.027 ( 9.098 0.000 -3.498) 9.748 5.378 ( -0.693 0.000 7.271) 7.304 5.553 ( 5.909 0.000 -0.272) 5.915 6.719 ( 9.211 0.000 0.965) 9.261 6.875 ( -7.166 0.000 -11.768) 13.778 7.026 ( 12.672 0.000 5.881) 13.970 7.182 ( 6.940 0.000 16.355) 17.766 8.095 ( 1.794 0.000 0.278) 1.816 8.096 ( 11.400 0.000 -11.440) 16.151 8.507 ( -3.396 0.000 -1.676) 3.787 8.654 ( 5.630 0.000 1.115) 5.739 9.238 ( -1.066 0.000 6.928) 7.010 9.248 ( -11.119 0.000 0.359) 11.125 9.455 ( 0.449 0.000 19.263) 19.268 9.618 ( 0.508 0.000 1.014) 1.134 9.820 ( -9.543 0.000 10.373) 14.095 10.068 ( -4.015 0.000 -9.339) 10.165 10.200 ( 3.506 0.000 -8.594) 9.282 10.661 ( -1.544 0.000 -18.887) 18.950 10.900 ( 1.420 0.000 -7.963) 8.089 11.603 ( 3.329 0.000 7.537) 8.239 11.644 ( -0.401 0.000 4.476) 4.494 11.896 ( -2.731 0.000 0.724) 2.825 11.926 ( 10.377 0.000 -7.377) 12.731 12.237 ( 19.933 0.000 7.589) 21.329 13.004 ( -7.038 0.000 -7.202) 10.070 13.140 ( -0.723 0.000 -1.780) 1.921 13.369 ( 1.419 0.000 -11.786) 11.871 13.503 ( 3.047 0.000 4.384) 5.339 13.910 ( -6.047 0.000 -18.026) 19.013 13.988 ( 2.023 0.000 -25.788) 25.867 14.046 ( 3.954 0.000 7.863) 8.801 14.693 ( -2.110 0.000 -9.527) 9.758 14.855 ( 2.272 0.000 5.308) 5.774 15.486 ( 2.837 0.000 6.207) 6.825 15.678 ( 3.672 0.000 12.746) 13.265 16.264 ( 6.362 0.000 -2.063) 6.688 16.426 ( 3.072 0.000 0.923) 3.208 16.472 ( 3.531 0.000 22.044) 22.325 17.055 ( 5.381 0.000 4.166) 6.805 17.292 ( 0.249 0.000 5.120) 5.126 17.938 ( 6.319 0.000 -3.323) 7.140 18.323 ( -3.133 0.000 -6.523) 7.236 19.104 ( 0.902 0.000 -11.773) 11.808 19.297 ( -1.496 0.000 20.158) 20.213 19.310 ( -0.206 0.000 -24.922) 24.923 19.631 ( -3.580 0.000 -2.983) 4.660 19.750 ( -4.191 0.000 5.942) 7.271 19.923 ( -7.992 0.000 -4.428) 9.137 20.213 ( 0.978 0.000 -8.457) 8.513 20.711 ( 3.277 0.000 3.224) 4.597 20.879 ( -4.085 0.000 13.710) 14.305 21.328 ( -2.664 0.000 -4.475) 5.208 21.681 ( 2.457 0.000 7.114) 7.526 22.223 ( 3.679 0.000 10.122) 10.770 23.126 ( 5.443 0.000 0.832) 5.507 23.483 ( 2.797 0.000 -8.482) 8.931 24.043 ( 6.703 0.000 18.261) 19.453 24.181 ( -0.560 0.000 -10.792) 10.806 24.313 ( 4.477 0.000 4.212) 6.147 24.821 ( 9.208 0.000 7.347) 11.780 24.916 ( -2.891 0.000 4.266) 5.154 25.312 ( 6.800 0.000 13.715) 15.309 25.877 ( 5.157 0.000 -0.460) 5.178 26.156 ( 5.237 0.000 -2.045) 5.622 27.540 ( -0.894 0.000 9.721) 9.762 27.736 ( 8.302 0.000 8.231) 11.691 27.975 ( 0.334 0.000 -2.500) 2.522 28.785 ( -7.007 0.000 -32.920) 33.657 28.949 ( -3.257 0.000 3.358) 4.678 29.221 ( -2.416 0.000 2.783) 3.685 29.375 ( -11.695 0.000 -6.854) 13.556 29.410 ( -0.563 0.000 1.917) 1.998 30.091 ( -1.218 0.000 8.884) 8.967 30.514 ( 5.072 0.000 -7.601) 9.138 30.837 ( 1.640 0.000 0.376) 1.683 31.422 ( -0.067 0.000 21.789) 21.789 31.629 ( 3.990 0.000 20.651) 21.033 31.793 ( -10.176 0.000 -3.406) 10.731 32.316 ( 3.724 0.000 -16.997) 17.401 32.829 ( -12.251 0.000 4.216) 12.956 32.917 ( -7.577 0.000 -1.804) 7.789 33.092 ( 6.446 0.000 -3.652) 7.409 33.300 ( -0.154 0.000 5.468) 5.470 33.445 ( 1.796 0.000 -2.168) 2.815 34.443 ( -5.661 0.000 16.941) 17.862 38.095 ( -18.394 0.000 -53.834) 56.890 ======================= Grid point 87 (35/136) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -30.897 0.000 32.117) 44.566 1.362 ( -33.952 0.000 29.919) 45.254 2.126 ( -53.562 0.000 47.793) 71.785 3.337 ( -2.656 0.000 -10.577) 10.906 3.561 ( 0.236 0.000 1.956) 1.971 3.667 ( -10.325 0.000 -16.150) 19.168 3.733 ( -3.979 0.000 3.788) 5.494 4.373 ( 3.268 0.000 -6.768) 7.515 4.654 ( 4.303 0.000 -0.401) 4.322 5.196 ( 6.658 0.000 -5.983) 8.951 5.344 ( -2.332 0.000 10.197) 10.460 5.652 ( 3.411 0.000 0.488) 3.446 6.714 ( -6.612 0.000 -7.538) 10.027 6.854 ( 3.465 0.000 -3.822) 5.159 7.244 ( 7.467 0.000 4.972) 8.971 7.283 ( 0.017 0.000 8.757) 8.757 8.147 ( 3.354 0.000 -0.211) 3.360 8.291 ( 7.874 0.000 -17.034) 18.766 8.403 ( -6.229 0.000 -0.789) 6.279 8.772 ( 5.217 0.000 -2.846) 5.942 9.031 ( -7.830 0.000 -0.058) 7.830 9.194 ( -3.483 0.000 4.317) 5.547 9.450 ( -1.211 0.000 15.269) 15.317 9.624 ( -0.571 0.000 0.202) 0.606 9.664 ( -6.206 0.000 13.102) 14.498 10.072 ( 4.023 0.000 -5.765) 7.030 10.267 ( -2.216 0.000 -16.166) 16.317 10.542 ( -10.211 0.000 -13.872) 17.225 10.907 ( -0.648 0.000 -9.658) 9.680 11.619 ( -2.255 0.000 5.819) 6.241 11.661 ( 2.216 0.000 3.653) 4.273 11.801 ( -4.815 0.000 -1.814) 5.145 12.149 ( 9.734 0.000 -5.209) 11.040 12.645 ( 15.679 0.000 8.994) 18.075 12.762 ( -14.243 0.000 -2.270) 14.423 13.139 ( -0.378 0.000 -1.558) 1.603 13.408 ( 3.699 0.000 -10.319) 10.962 13.571 ( 3.807 0.000 2.334) 4.466 13.743 ( -8.375 0.000 -19.727) 21.432 14.023 ( 1.517 0.000 -23.179) 23.229 14.067 ( -2.049 0.000 7.031) 7.324 14.690 ( 1.140 0.000 -6.796) 6.891 14.925 ( 4.352 0.000 1.256) 4.530 15.528 ( 0.392 0.000 -0.852) 0.937 15.755 ( 3.186 0.000 10.433) 10.909 16.372 ( 5.376 0.000 8.899) 10.397 16.492 ( -2.476 0.000 20.914) 21.060 16.578 ( 10.763 0.000 -5.964) 12.305 17.175 ( 5.934 0.000 7.355) 9.450 17.243 ( -5.235 0.000 5.705) 7.742 18.112 ( 10.962 0.000 0.726) 10.986 18.258 ( -2.991 0.000 -5.162) 5.966 18.984 ( -9.473 0.000 -17.855) 20.213 19.303 ( -0.041 0.000 -22.971) 22.971 19.412 ( 9.863 0.000 26.627) 28.395 19.556 ( -3.233 0.000 -5.558) 6.430 19.722 ( 2.324 0.000 5.250) 5.742 19.774 ( -5.512 0.000 -2.381) 6.004 20.259 ( 4.194 0.000 -5.947) 7.277 20.778 ( 2.430 0.000 -1.054) 2.648 20.818 ( -2.146 0.000 15.240) 15.390 21.311 ( 0.944 0.000 2.548) 2.717 21.719 ( 0.707 0.000 5.904) 5.946 22.279 ( 1.487 0.000 14.016) 14.094 23.219 ( 3.148 0.000 -9.901) 10.390 23.564 ( 4.761 0.000 -2.756) 5.501 24.191 ( 4.621 0.000 19.956) 20.484 24.200 ( 2.775 0.000 -7.355) 7.861 24.334 ( -0.432 0.000 -3.641) 3.666 24.882 ( -0.507 0.000 11.082) 11.093 25.045 ( 8.342 0.000 2.750) 8.783 25.695 ( 37.556 0.000 28.481) 47.134 26.013 ( 15.507 0.000 19.601) 24.993 26.267 ( 4.900 0.000 -1.087) 5.019 27.502 ( -2.288 0.000 6.160) 6.571 27.919 ( 7.519 0.000 10.277) 12.734 27.998 ( 1.937 0.000 -0.213) 1.948 28.531 ( -15.373 0.000 -29.838) 33.565 28.949 ( 1.268 0.000 2.689) 2.973 28.991 ( -12.956 0.000 -1.098) 13.002 29.324 ( 1.457 0.000 -0.101) 1.460 29.426 ( 3.308 0.000 -1.342) 3.569 30.040 ( -3.786 0.000 9.914) 10.613 30.608 ( 3.484 0.000 -8.364) 9.061 30.891 ( 4.205 0.000 2.689) 4.991 31.409 ( -1.779 0.000 16.500) 16.595 31.547 ( -11.150 0.000 2.531) 11.434 31.801 ( 16.662 0.000 32.049) 36.121 32.365 ( -3.045 0.000 -11.309) 11.712 32.533 ( -6.192 0.000 -1.994) 6.505 32.788 ( -4.330 0.000 -1.088) 4.465 33.209 ( 0.733 0.000 1.045) 1.276 33.351 ( 4.430 0.000 3.975) 5.952 33.493 ( 2.990 0.000 -0.449) 3.024 34.404 ( 0.562 0.000 4.696) 4.730 37.278 ( -73.750 0.000 -95.066) 120.319 ======================= Grid point 88 (36/136) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 2.566 29.696 28.256) 41.071 1.342 ( -2.283 34.764 29.586) 45.707 2.132 ( -6.292 52.410 42.909) 68.026 3.221 ( -0.096 -5.331 -6.732) 8.588 3.526 ( -4.399 7.061 -15.542) 17.628 3.641 ( -1.214 -1.810 0.012) 2.179 3.768 ( 6.938 4.715 -0.135) 8.389 4.352 ( 3.234 -9.245 -5.421) 11.195 4.629 ( -0.255 -8.835 1.728) 9.006 5.203 ( 0.664 -0.946 -2.720) 2.956 5.462 ( 2.046 2.680 4.528) 5.645 5.678 ( 1.201 -1.122 3.612) 3.968 6.609 ( -0.132 -1.596 -9.008) 9.149 6.698 ( -1.481 -11.348 -5.426) 12.665 7.194 ( -4.124 1.264 9.957) 10.851 7.666 ( 4.264 14.031 -9.888) 17.687 7.971 ( -8.025 -10.144 -7.812) 15.111 8.167 ( 9.545 -5.119 0.053) 10.831 8.468 ( -4.382 -20.288 -9.603) 22.870 8.721 ( -0.239 3.264 -5.602) 6.488 8.802 ( -23.177 6.825 -6.971) 25.147 9.110 ( -1.850 -7.110 10.636) 12.927 9.266 ( -4.283 12.188 5.517) 14.047 9.537 ( -0.294 0.342 3.813) 3.839 9.760 ( 8.749 -2.501 0.943) 9.148 9.815 ( 2.736 8.791 13.145) 16.048 10.101 ( 3.357 -7.103 11.862) 14.228 10.840 ( 3.421 19.008 4.075) 19.739 11.060 ( -0.343 9.719 -12.149) 15.562 11.476 ( -2.659 -2.871 7.365) 8.340 11.675 ( -3.790 3.296 -7.614) 9.122 11.899 ( -0.263 8.616 -0.325) 8.626 12.388 ( 0.483 -2.270 -0.972) 2.517 12.416 ( 2.680 -5.569 2.383) 6.624 12.822 ( -6.148 4.697 1.768) 7.936 13.141 ( -1.497 1.727 -4.741) 5.263 13.311 ( 4.630 -22.319 -8.427) 24.302 13.579 ( 3.390 -9.546 -0.745) 10.157 13.728 ( -0.013 8.678 -5.555) 10.303 13.911 ( -0.366 1.816 -3.811) 4.237 14.248 ( 2.265 8.614 -3.452) 9.553 14.753 ( 2.320 3.091 -1.594) 4.181 15.008 ( 4.175 -3.171 -3.154) 6.118 15.494 ( -3.951 -3.963 -8.424) 10.114 15.839 ( 6.565 6.309 3.557) 9.775 16.191 ( -9.487 -12.757 14.030) 21.204 16.545 ( 6.348 -7.424 14.584) 17.553 16.780 ( 7.140 3.634 -3.781) 8.859 16.945 ( -7.365 -8.119 3.086) 11.388 17.320 ( 1.240 -1.236 8.691) 8.865 17.891 ( 3.217 -4.847 2.735) 6.428 18.416 ( -5.080 -3.857 -24.233) 25.059 18.949 ( -7.515 13.261 -0.346) 15.246 19.170 ( 3.985 -21.684 4.757) 22.555 19.349 ( -1.139 4.634 -17.699) 18.331 19.662 ( -2.333 3.150 -3.657) 5.361 19.695 ( -1.861 6.084 -1.631) 6.568 20.035 ( 1.475 14.156 8.992) 16.835 20.256 ( 3.761 -6.387 -2.658) 7.874 20.616 ( -2.806 -8.290 -1.199) 8.834 21.002 ( -0.038 8.325 -2.826) 8.791 21.370 ( 3.286 0.046 17.916) 18.215 21.615 ( -1.104 -6.615 7.367) 9.962 22.316 ( 1.109 0.779 11.826) 11.903 23.274 ( 1.446 0.107 -13.737) 13.813 23.629 ( 1.986 -2.222 2.896) 4.155 24.020 ( -11.076 -1.407 -2.317) 11.403 24.351 ( 4.829 -0.159 21.757) 22.287 24.575 ( 2.098 12.423 -8.116) 14.987 24.855 ( 1.638 1.307 1.246) 2.438 25.069 ( -2.678 -1.989 -0.484) 3.371 25.947 ( -2.125 1.544 -3.953) 4.746 26.278 ( 1.602 -9.527 10.901) 14.566 26.543 ( -1.304 -20.440 1.242) 20.520 27.275 ( -2.918 -14.629 5.521) 15.906 27.688 ( 1.592 -18.593 2.811) 18.872 28.178 ( 1.104 10.876 1.090) 10.986 28.691 ( 0.463 18.768 -6.050) 19.724 29.042 ( 0.637 4.734 -3.022) 5.652 29.225 ( -2.676 1.871 -5.850) 6.699 29.430 ( 7.391 8.789 -5.040) 12.541 29.907 ( -2.004 13.828 -5.807) 15.131 30.054 ( 19.121 3.541 -12.550) 23.144 30.631 ( -0.183 -2.117 -7.532) 7.827 31.080 ( 8.873 2.008 9.437) 13.108 31.237 ( -6.056 -8.330 5.921) 11.879 31.454 ( 0.042 2.483 5.309) 5.861 31.927 ( -1.848 -24.545 33.858) 41.860 32.318 ( 0.157 -0.559 6.318) 6.345 32.746 ( -1.115 -0.208 -3.962) 4.121 32.862 ( 14.087 -8.995 -6.110) 17.796 33.177 ( -9.017 2.554 -1.430) 9.480 33.275 ( -6.961 -3.428 -2.946) 8.299 33.810 ( -0.443 15.755 -7.117) 17.294 34.370 ( -2.993 -2.572 4.195) 5.759 34.991 ( -2.181 11.859 -17.706) 21.422 ======================= Grid point 89 (37/136) ======================= q-point: ( 0.09 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 19.792 25.068 22.749) 39.213 1.734 ( 28.761 22.940 27.107) 45.697 2.413 ( 33.147 40.709 24.844) 58.079 3.243 ( 2.874 -2.638 -6.585) 7.654 3.523 ( 3.494 7.411 -10.144) 13.039 3.646 ( 2.223 -2.218 -0.205) 3.147 3.957 ( 10.376 3.959 -0.907) 11.143 4.397 ( 1.320 -8.307 -1.147) 8.489 4.630 ( 0.396 -12.273 -0.151) 12.280 5.186 ( -2.168 -1.741 -1.653) 3.235 5.435 ( -4.679 3.058 5.862) 8.100 5.642 ( -4.198 0.166 3.529) 5.487 6.630 ( -4.097 -10.736 -4.464) 12.328 6.660 ( 1.650 -2.787 -10.749) 11.227 7.191 ( 0.888 0.713 6.320) 6.422 7.707 ( -2.000 7.491 -7.453) 10.755 7.808 ( -3.257 -6.895 -5.995) 9.700 8.188 ( -8.942 8.766 15.016) 19.552 8.443 ( 5.293 -13.989 -0.744) 14.975 8.517 ( -1.741 2.129 -12.630) 12.926 8.765 ( 2.833 6.812 -8.845) 11.518 9.074 ( -1.537 -10.706 13.167) 17.039 9.274 ( 2.751 12.986 0.145) 13.275 9.589 ( 4.813 -4.462 4.023) 7.698 9.798 ( 0.285 14.678 -1.400) 14.747 9.985 ( 6.387 -12.688 5.059) 15.078 10.265 ( 8.984 -8.416 3.203) 12.720 10.842 ( -3.682 13.058 2.898) 13.873 11.067 ( 1.020 14.678 -4.957) 15.526 11.408 ( -3.133 -1.776 -1.409) 3.867 11.591 ( -4.490 1.102 -7.058) 8.437 11.914 ( 1.914 5.160 2.189) 5.923 12.116 ( -11.642 -4.403 -2.622) 12.720 12.568 ( -15.793 2.879 -3.788) 16.495 12.804 ( 16.974 -10.896 -1.635) 20.236 13.108 ( -1.211 0.996 -1.798) 2.386 13.306 ( -3.702 -21.412 -8.097) 23.189 13.599 ( -1.140 -2.813 1.719) 3.488 13.806 ( 5.719 3.395 -7.087) 9.719 13.926 ( 0.106 2.159 2.066) 2.990 14.284 ( 1.028 12.178 -7.945) 14.576 14.779 ( 0.129 1.951 1.675) 2.574 15.107 ( 5.516 -3.961 -1.151) 6.888 15.390 ( -4.879 -4.094 -7.944) 10.182 15.976 ( -8.068 -1.054 14.430) 16.566 15.981 ( 2.591 -1.012 0.186) 2.788 16.625 ( -0.107 -13.801 16.843) 21.775 16.791 ( -5.950 -1.492 6.304) 8.796 16.876 ( 1.430 2.301 -10.409) 10.756 17.344 ( 0.792 -3.780 13.858) 14.386 17.975 ( 4.398 -3.759 -0.882) 5.852 18.291 ( -5.379 -5.605 -20.948) 22.342 18.663 ( -15.839 19.455 3.392) 25.315 19.253 ( 2.984 -19.860 2.672) 20.260 19.320 ( -1.061 2.935 -17.921) 18.191 19.604 ( -1.506 6.792 -5.177) 8.672 19.708 ( 3.121 9.130 -1.053) 9.706 20.087 ( 2.695 8.685 4.305) 10.061 20.347 ( 5.479 -1.046 -0.298) 5.586 20.573 ( -1.169 -9.145 -4.452) 10.238 20.988 ( -0.641 6.646 1.298) 6.802 21.403 ( -0.629 -1.229 20.860) 20.905 21.622 ( 1.859 -1.742 6.690) 7.159 22.317 ( -1.030 0.977 9.959) 10.060 23.271 ( -1.474 1.181 -15.942) 16.053 23.657 ( 0.768 -4.386 5.408) 7.005 23.740 ( -14.272 0.259 0.116) 14.274 24.412 ( 1.214 0.231 15.869) 15.917 24.536 ( -5.896 7.263 -5.644) 10.926 24.895 ( 1.190 2.143 1.993) 3.159 24.976 ( -5.147 -2.719 -1.022) 5.910 25.717 ( -21.703 5.219 11.260) 25.001 26.080 ( -10.474 -7.257 7.679) 14.877 26.387 ( -1.428 2.861 1.124) 3.389 27.191 ( -5.044 -12.273 -0.656) 13.285 27.717 ( -3.490 -15.193 5.607) 16.567 28.164 ( -1.737 12.135 -0.052) 12.258 28.703 ( 4.104 7.242 -6.122) 10.333 29.041 ( -0.565 7.182 0.135) 7.205 29.163 ( -2.091 -1.433 -1.297) 2.848 29.520 ( 3.091 3.080 -7.053) 8.294 29.835 ( -0.690 16.458 0.989) 16.502 30.250 ( 0.572 2.113 -12.106) 12.302 30.609 ( -2.163 -3.976 -4.190) 6.168 31.104 ( -7.906 -0.862 11.583) 14.050 31.163 ( -0.686 0.154 13.411) 13.429 31.515 ( -13.096 -1.669 35.411) 37.791 31.533 ( 8.489 3.745 0.109) 9.279 32.428 ( 9.366 -0.586 -0.383) 9.392 32.745 ( 2.489 -0.687 -9.123) 9.482 32.810 ( -0.281 0.075 -4.032) 4.042 33.000 ( -3.511 -7.056 1.784) 8.080 33.232 ( -2.259 10.058 3.696) 10.951 33.761 ( -3.450 19.130 -4.694) 19.997 34.385 ( 1.687 -6.364 7.544) 10.013 36.543 ( 77.718 -49.375 -53.929) 106.707 ======================= Grid point 90 (38/136) ======================= q-point: ( 0.18 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 29.316 14.872 12.449) 35.151 2.303 ( 26.236 17.519 21.325) 38.079 3.253 ( 24.428 2.725 -4.618) 25.009 3.424 ( 29.715 13.523 5.425) 33.095 3.610 ( 4.100 4.751 -4.988) 8.017 3.752 ( 8.435 -0.477 0.567) 8.467 4.159 ( 7.703 1.151 -0.514) 7.806 4.421 ( 1.986 -6.236 4.515) 7.951 4.652 ( 1.758 -9.067 -2.246) 9.505 5.099 ( -7.003 -2.131 -2.324) 7.680 5.315 ( -5.402 4.416 8.729) 11.175 5.536 ( -5.691 -1.249 1.751) 6.084 6.488 ( -9.250 -8.895 -2.308) 13.039 6.651 ( -2.580 -2.842 -7.766) 8.663 7.117 ( -7.898 8.221 2.383) 11.646 7.617 ( -3.007 4.349 11.047) 12.247 7.874 ( 5.914 -7.922 -12.289) 15.772 8.048 ( -5.806 5.376 13.563) 15.703 8.498 ( 1.716 -21.887 -5.509) 22.634 8.541 ( 1.349 14.238 -7.724) 16.254 8.826 ( 2.583 9.935 -3.003) 10.696 9.054 ( -0.841 -10.323 9.772) 14.240 9.374 ( 7.167 6.360 -1.740) 9.739 9.703 ( 3.431 -2.726 -1.415) 4.605 9.805 ( 2.645 8.916 2.057) 9.525 10.090 ( 4.098 -10.763 6.791) 13.371 10.401 ( 4.293 -8.926 -5.459) 11.309 10.721 ( -6.567 8.105 -2.336) 10.690 11.072 ( -0.883 17.423 -0.028) 17.446 11.352 ( -2.436 -1.340 -6.411) 6.988 11.475 ( -6.381 -0.887 -2.956) 7.088 11.900 ( -6.252 -3.191 -2.197) 7.354 12.006 ( 3.143 0.292 0.289) 3.169 12.256 ( -11.951 2.870 -0.370) 12.297 13.019 ( 2.412 -11.610 -5.064) 12.893 13.067 ( -4.104 -12.499 -3.587) 13.636 13.204 ( -3.863 -11.012 -3.239) 12.111 13.582 ( 0.191 3.698 3.837) 5.332 13.896 ( -0.163 3.984 -2.110) 4.511 13.918 ( 2.690 0.011 -6.732) 7.249 14.281 ( -0.851 14.478 -8.851) 16.991 14.769 ( -0.720 -1.442 4.613) 4.887 15.223 ( 4.455 -2.715 1.099) 5.331 15.319 ( -0.734 -2.550 -3.867) 4.689 15.754 ( -10.451 -7.177 6.519) 14.256 16.044 ( 0.780 12.368 7.048) 14.256 16.530 ( -7.630 -16.582 12.745) 22.263 16.723 ( -1.868 4.817 11.147) 12.286 16.851 ( -3.112 -3.213 -15.073) 15.722 17.338 ( -2.295 -2.931 17.665) 18.053 18.030 ( -0.070 0.511 -11.641) 11.652 18.230 ( 0.814 -7.532 -11.865) 14.077 18.408 ( -8.215 14.444 2.977) 16.881 19.299 ( -0.499 -4.328 -7.142) 8.365 19.311 ( 2.987 -6.678 -12.590) 14.561 19.610 ( 1.809 6.184 -6.907) 9.445 19.797 ( 4.593 7.496 -0.404) 8.800 20.144 ( 3.046 0.505 -0.041) 3.088 20.477 ( 6.170 3.352 3.360) 7.784 20.565 ( 0.629 -6.797 -9.613) 11.790 20.996 ( 1.684 3.919 7.623) 8.736 21.380 ( -1.183 -1.687 20.250) 20.354 21.673 ( 2.276 4.692 7.699) 9.299 22.282 ( -2.652 0.175 5.700) 6.289 23.224 ( -2.264 0.752 -14.847) 15.037 23.435 ( -12.817 1.735 4.456) 13.680 23.702 ( 1.733 -6.921 5.764) 9.172 24.293 ( -13.229 -3.465 5.347) 14.683 24.475 ( 1.402 6.578 1.028) 6.804 24.807 ( -7.222 -1.927 -0.748) 7.512 24.955 ( 1.034 0.069 1.669) 1.964 25.346 ( -12.171 3.878 14.662) 19.446 25.952 ( -4.483 0.684 -2.437) 5.148 26.381 ( -0.006 5.235 6.122) 8.055 27.063 ( -6.830 -7.704 -7.033) 12.468 27.598 ( -5.640 -12.695 8.211) 16.136 28.166 ( 1.798 7.411 -0.790) 7.667 28.785 ( 1.668 9.083 -11.270) 14.570 29.067 ( 3.913 1.666 1.826) 4.628 29.138 ( -0.851 -3.248 0.756) 3.442 29.576 ( 2.463 -0.491 -9.977) 10.288 29.896 ( 5.667 14.597 3.199) 15.982 30.214 ( -2.833 1.398 -5.811) 6.615 30.557 ( -2.140 -0.812 4.117) 4.710 30.985 ( -3.701 0.342 7.676) 8.529 31.123 ( -2.857 4.740 13.822) 14.888 31.443 ( 0.251 0.225 17.748) 17.752 31.772 ( 12.060 3.266 -4.532) 13.290 32.585 ( 1.974 -11.124 -8.078) 13.888 32.773 ( -4.956 -6.032 -6.570) 10.203 32.874 ( 9.340 0.367 -4.081) 10.199 32.949 ( 0.028 4.638 6.235) 7.771 33.210 ( 1.603 11.969 2.475) 12.327 33.683 ( -2.734 18.200 -3.952) 18.824 34.471 ( 6.980 -7.374 18.598) 21.189 37.580 ( 29.723 -44.121 -43.263) 68.570 ======================= Grid point 91 (39/136) ======================= q-point: ( 0.27 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 28.833 7.191 5.133) 30.156 2.830 ( 23.024 10.284 11.533) 27.729 3.481 ( 9.519 -0.866 -1.961) 9.757 3.684 ( 3.264 4.032 -2.198) 5.634 3.896 ( 9.289 0.994 -3.266) 9.896 4.206 ( 7.051 -2.590 -0.747) 7.548 4.298 ( 20.986 -2.358 4.869) 21.672 4.546 ( 12.008 1.249 2.780) 12.389 4.705 ( 4.670 -3.217 -0.373) 5.683 4.892 ( -11.740 -0.172 3.161) 12.159 5.250 ( -1.280 0.719 4.255) 4.501 5.415 ( -5.818 -2.243 0.749) 6.280 6.259 ( -11.802 -6.578 0.459) 13.519 6.570 ( -4.342 1.475 -3.303) 5.651 6.911 ( -11.079 11.975 4.884) 17.030 7.601 ( 0.757 2.575 12.016) 12.312 7.902 ( -8.562 3.346 8.164) 12.295 7.979 ( 3.524 -13.453 -11.391) 17.977 8.548 ( 2.861 -12.825 -2.422) 13.362 8.568 ( 1.777 18.722 -8.321) 20.565 8.847 ( -0.520 5.184 8.881) 10.297 9.015 ( -3.315 -7.991 5.847) 10.442 9.561 ( 9.268 5.755 -5.044) 12.019 9.700 ( 0.081 9.071 -5.071) 10.392 9.947 ( 8.129 -3.321 4.207) 9.737 10.153 ( 1.863 -12.495 3.626) 13.143 10.466 ( 2.453 -8.459 -4.241) 9.776 10.629 ( -1.075 6.826 -5.182) 8.637 11.037 ( -1.982 17.413 -0.364) 17.530 11.290 ( -3.662 -2.300 -4.761) 6.431 11.352 ( -4.590 0.291 -5.172) 6.921 11.751 ( -6.964 -2.591 -4.748) 8.818 12.087 ( 2.886 2.388 2.407) 4.452 12.132 ( -0.153 -2.834 9.600) 10.010 12.833 ( -13.366 -13.267 -10.646) 21.633 13.009 ( -4.609 -19.120 -2.538) 19.831 13.191 ( 1.428 -0.473 -0.144) 1.512 13.581 ( -1.180 1.351 2.406) 3.001 13.899 ( 1.211 6.246 3.000) 7.034 13.964 ( 1.209 -0.391 -9.260) 9.347 14.262 ( -0.529 14.683 -8.597) 17.023 14.765 ( 0.418 -3.590 3.956) 5.359 15.232 ( -1.604 -2.046 -2.861) 3.866 15.405 ( 6.683 2.758 3.930) 8.229 15.557 ( -8.308 -4.459 2.690) 9.805 16.033 ( -1.660 12.949 9.731) 16.282 16.362 ( -8.433 -12.664 9.905) 18.155 16.682 ( -2.301 -0.600 8.913) 9.225 16.764 ( -4.458 -5.297 -14.691) 16.241 17.246 ( -6.704 0.186 15.640) 17.018 17.989 ( -2.714 5.568 -11.089) 12.701 18.290 ( 1.605 8.964 -10.727) 14.072 18.312 ( 0.886 -11.730 1.014) 11.807 19.295 ( 0.388 -4.323 -6.096) 7.483 19.377 ( 3.295 -2.331 -17.313) 17.778 19.651 ( 1.785 5.370 -8.362) 10.096 19.884 ( 3.822 6.808 -0.568) 7.828 20.230 ( 5.300 -7.227 1.805) 9.142 20.546 ( 0.409 -0.052 -2.638) 2.670 20.611 ( 3.093 -3.717 -6.767) 8.317 21.076 ( 5.882 3.879 14.103) 15.765 21.374 ( -0.117 1.039 19.093) 19.121 21.706 ( 0.595 9.027 5.103) 10.387 22.209 ( -4.250 0.326 0.903) 4.358 23.178 ( -2.206 -0.380 -8.189) 8.490 23.233 ( -5.819 1.560 6.199) 8.644 23.723 ( -0.105 -8.167 5.212) 9.689 23.991 ( -14.704 -5.055 2.463) 15.743 24.507 ( 1.020 4.730 1.254) 4.998 24.662 ( -6.237 -1.110 -0.847) 6.391 24.970 ( 0.354 -1.776 2.675) 3.230 25.178 ( -5.284 1.328 10.128) 11.500 25.866 ( -3.681 3.703 -6.238) 8.134 26.376 ( -0.931 6.395 7.650) 10.014 26.931 ( -5.055 -4.244 -8.323) 10.622 27.523 ( -1.777 -15.217 8.099) 17.330 28.219 ( 2.847 6.216 -0.616) 6.865 28.775 ( -1.237 13.662 -13.287) 19.098 29.108 ( -1.264 -2.503 0.605) 2.869 29.185 ( 5.537 -3.236 0.672) 6.448 29.610 ( 0.829 -2.074 -10.115) 10.359 30.024 ( 4.202 1.660 6.635) 8.027 30.155 ( -0.718 1.541 -10.896) 11.028 30.525 ( -1.556 6.481 9.456) 11.569 30.928 ( -1.945 -0.578 3.680) 4.202 31.059 ( -3.563 7.592 13.145) 15.592 31.468 ( 1.641 -0.320 12.893) 13.001 31.952 ( 4.556 3.959 -8.745) 10.626 32.448 ( -11.706 -8.060 -4.726) 14.978 32.636 ( -7.460 -5.728 -5.937) 11.122 32.981 ( 2.527 1.704 2.329) 3.836 33.134 ( 13.783 3.300 -1.771) 14.283 33.262 ( 0.897 4.605 0.956) 4.788 33.710 ( 6.466 22.314 -5.267) 23.822 34.681 ( 11.910 -8.011 28.098) 31.552 37.982 ( 12.735 -32.968 -32.172) 47.792 ======================= Grid point 92 (40/136) ======================= q-point: ( 0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 19.236 2.786 -0.329) 19.440 3.224 ( 14.075 3.507 4.852) 15.296 3.694 ( 9.068 0.449 1.732) 9.243 3.757 ( 5.545 4.583 -1.679) 7.387 4.064 ( 6.842 0.055 -2.361) 7.238 4.210 ( -0.958 -1.537 2.306) 2.932 4.490 ( 0.744 -3.428 -0.068) 3.509 4.639 ( -8.131 1.202 3.103) 8.786 4.735 ( 2.111 -4.222 9.095) 10.247 5.033 ( 17.150 -4.864 -2.436) 17.992 5.247 ( -0.275 -2.841 -1.814) 3.382 5.302 ( -3.398 -1.342 0.225) 3.660 6.050 ( -7.112 -3.811 1.915) 8.293 6.469 ( -6.835 6.757 0.550) 9.627 6.705 ( -6.636 13.851 10.436) 18.569 7.620 ( -1.818 5.251 7.401) 9.254 7.734 ( -4.626 -2.657 8.150) 9.741 8.016 ( 0.867 -15.814 -13.830) 21.026 8.560 ( -2.333 -1.780 0.362) 2.957 8.595 ( -0.779 14.784 -5.365) 15.747 8.851 ( 2.251 6.272 11.279) 13.100 8.956 ( -1.086 -6.143 4.693) 7.807 9.644 ( 0.889 13.472 -5.632) 14.629 9.809 ( 7.400 0.666 -5.506) 9.248 10.075 ( 2.785 -6.703 7.007) 10.090 10.204 ( 3.835 -10.654 -2.743) 11.651 10.496 ( 0.616 -7.053 -0.646) 7.109 10.685 ( 6.034 6.184 -5.888) 10.456 11.005 ( -1.023 14.567 -3.035) 14.915 11.228 ( -1.555 0.577 -3.152) 3.561 11.279 ( -2.331 1.046 -6.692) 7.163 11.645 ( -3.018 -0.664 -0.383) 3.114 12.118 ( 0.803 -3.472 9.833) 10.459 12.173 ( 1.120 -4.718 6.669) 8.246 12.567 ( -10.143 -7.563 -9.856) 16.038 12.886 ( -6.420 -19.289 -1.219) 20.365 13.224 ( 1.236 1.783 -2.606) 3.391 13.550 ( -1.002 -0.800 1.595) 2.047 13.888 ( -2.137 0.047 -6.041) 6.409 14.010 ( 2.970 5.135 3.685) 6.983 14.246 ( -1.283 11.867 -6.119) 13.414 14.793 ( 2.135 -4.176 0.344) 4.702 15.196 ( -1.629 -2.029 -1.202) 2.867 15.415 ( -4.965 1.209 -5.594) 7.577 15.555 ( 7.096 5.289 7.033) 11.304 15.996 ( -1.755 9.754 11.297) 15.028 16.186 ( -8.719 -9.729 6.296) 14.502 16.634 ( -3.128 -2.681 7.993) 8.993 16.683 ( -1.789 -7.200 -13.630) 15.518 17.087 ( -8.155 2.589 11.883) 14.643 17.926 ( -2.995 8.741 -8.096) 12.285 18.285 ( 0.890 -1.772 -5.159) 5.527 18.415 ( 5.692 -6.829 -4.322) 9.885 19.310 ( 0.915 -6.516 -0.140) 6.581 19.429 ( 2.039 1.961 -27.572) 27.717 19.680 ( 1.476 4.420 -5.433) 7.158 19.952 ( 2.559 4.362 -2.177) 5.506 20.357 ( 6.532 -8.665 2.263) 11.085 20.511 ( -3.777 -0.602 -4.412) 5.839 20.668 ( 2.966 -5.948 -5.303) 8.503 21.205 ( 3.158 1.125 20.312) 20.587 21.385 ( 2.336 8.131 13.046) 15.549 21.702 ( -0.788 9.999 1.962) 10.220 22.118 ( -4.126 1.629 -1.878) 4.817 23.110 ( -3.297 0.102 8.758) 9.358 23.219 ( 3.241 -0.597 -1.229) 3.517 23.694 ( -2.897 -8.186 2.570) 9.056 23.720 ( -10.519 -7.531 4.381) 13.659 24.491 ( -3.008 3.726 -4.558) 6.611 24.578 ( -1.238 0.470 4.179) 4.384 24.973 ( -0.105 -2.924 4.642) 5.487 25.109 ( -1.730 0.927 5.809) 6.131 25.796 ( -2.896 4.740 -8.928) 10.515 26.338 ( -2.767 6.048 4.985) 8.311 26.869 ( -0.565 -3.748 -4.693) 6.033 27.516 ( 0.525 -15.319 7.689) 17.148 28.267 ( 1.481 7.515 -1.745) 7.856 28.754 ( -0.162 13.357 -14.093) 19.418 29.079 ( -1.286 -2.899 2.280) 3.906 29.287 ( 4.076 -2.569 -0.287) 4.826 29.603 ( -1.346 -2.846 -10.367) 10.835 29.999 ( -3.476 -9.634 -3.028) 10.680 30.250 ( 6.831 2.632 -3.016) 7.918 30.473 ( -3.897 10.100 6.513) 12.634 30.914 ( 0.570 1.122 4.931) 5.089 30.988 ( -3.069 6.170 13.574) 15.223 31.510 ( 1.841 -1.804 9.237) 9.590 31.961 ( -2.518 8.137 -9.925) 13.079 32.195 ( -11.419 -5.488 -0.455) 12.677 32.506 ( -4.160 -2.306 -4.749) 6.721 33.032 ( 2.356 -2.687 0.337) 3.590 33.230 ( -3.029 -1.280 1.010) 3.440 33.395 ( 10.564 3.715 -2.129) 11.399 33.900 ( 9.694 26.190 -6.377) 28.645 34.934 ( 10.650 -8.681 31.732) 34.579 38.163 ( 6.051 -26.722 -26.402) 38.049 ======================= Grid point 93 (41/136) ======================= q-point: ( 0.45 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 6.295 0.440 -1.227) 6.429 3.419 ( 4.422 0.506 1.511) 4.701 3.759 ( 0.403 6.078 0.858) 6.151 3.954 ( 7.426 -0.932 -1.959) 7.736 4.163 ( 1.992 0.409 -0.370) 2.067 4.180 ( -2.051 0.042 -2.677) 3.372 4.413 ( -4.845 2.543 7.016) 8.898 4.558 ( -0.588 -4.410 2.063) 4.904 4.794 ( 2.481 -4.748 7.985) 9.616 5.146 ( -3.912 -2.060 -0.948) 4.522 5.222 ( 1.777 -2.067 -0.821) 2.847 5.399 ( 8.185 -10.369 -4.122) 13.839 5.981 ( -0.189 -3.735 3.380) 5.041 6.277 ( -8.601 7.529 2.928) 11.800 6.668 ( 0.797 19.024 12.954) 23.030 7.494 ( -6.542 2.905 0.488) 7.175 7.757 ( 2.633 -3.569 10.871) 11.741 8.034 ( 1.567 -13.794 -14.594) 20.142 8.468 ( -5.384 5.971 -1.629) 8.203 8.525 ( -4.611 3.487 3.908) 6.978 8.947 ( 5.464 12.420 2.873) 13.870 8.992 ( 4.058 -3.391 7.636) 9.288 9.656 ( 0.122 11.288 -6.091) 12.827 9.929 ( 4.463 -1.001 -3.309) 5.645 10.063 ( -3.418 -14.442 4.993) 15.658 10.281 ( 2.502 -2.578 -1.971) 4.098 10.505 ( 0.306 -4.563 1.231) 4.736 10.843 ( 8.282 3.987 -4.224) 10.116 10.981 ( -1.616 11.856 -4.377) 12.742 11.185 ( -2.683 7.272 -18.844) 20.376 11.288 ( 2.935 -1.696 10.323) 10.866 11.619 ( 0.314 0.768 2.311) 2.456 12.075 ( -6.850 -9.542 0.305) 11.750 12.152 ( -1.277 -5.483 8.387) 10.102 12.494 ( 3.409 -0.389 -1.218) 3.641 12.767 ( -4.477 -19.880 0.121) 20.378 13.233 ( -0.146 3.097 -5.071) 5.944 13.560 ( 1.899 0.049 3.206) 3.726 13.848 ( -1.016 -0.832 -8.670) 8.769 14.038 ( -1.184 1.908 4.950) 5.436 14.200 ( -2.842 9.842 -4.016) 11.003 14.836 ( 1.482 -4.564 -1.273) 4.964 15.173 ( -0.348 -4.224 0.938) 4.340 15.343 ( -2.165 6.514 -9.798) 11.963 15.698 ( 6.195 9.203 5.335) 12.310 15.969 ( -2.612 -0.679 8.576) 8.991 16.016 ( -5.453 -3.154 6.290) 8.902 16.557 ( -3.532 -0.658 3.828) 5.250 16.705 ( 3.457 -8.170 -6.436) 10.960 16.943 ( -5.151 3.005 8.520) 10.400 17.866 ( -2.478 9.638 -7.472) 12.444 18.324 ( 2.661 -4.967 -6.365) 8.501 18.527 ( 5.043 -6.638 -0.170) 8.338 19.325 ( 0.314 -8.666 4.076) 9.582 19.449 ( 0.663 4.230 -34.559) 34.823 19.716 ( 1.937 2.339 -0.484) 3.075 19.987 ( 0.892 1.513 -4.374) 4.714 20.398 ( -6.628 -0.916 -3.414) 7.512 20.486 ( 5.486 -5.152 -3.744) 8.406 20.735 ( 3.388 -3.367 -1.460) 4.995 21.139 ( -7.697 2.197 15.141) 17.127 21.500 ( 5.266 5.658 14.865) 16.754 21.685 ( -0.314 9.372 -0.602) 9.396 22.048 ( -2.329 2.751 -1.735) 4.000 23.049 ( -2.886 0.602 10.993) 11.381 23.350 ( 8.959 -1.540 4.701) 10.234 23.568 ( -3.751 -9.357 6.873) 12.201 23.620 ( -4.097 -7.085 -0.466) 8.197 24.415 ( -3.545 2.945 -6.567) 8.023 24.579 ( 0.673 1.265 5.392) 5.579 24.971 ( -0.040 -2.952 7.094) 7.684 25.102 ( 0.740 1.881 2.638) 3.323 25.742 ( -2.038 4.356 -10.924) 11.936 26.271 ( -3.461 6.238 1.215) 7.237 26.902 ( 3.646 -5.780 -0.262) 6.838 27.531 ( 0.376 -13.914 8.172) 16.141 28.273 ( -0.840 9.372 -3.986) 10.219 28.766 ( 1.519 11.351 -14.078) 18.148 29.062 ( -0.294 -2.647 2.999) 4.011 29.349 ( 1.781 -3.285 1.926) 4.204 29.548 ( -3.648 -3.286 -12.141) 13.096 29.944 ( -1.279 -8.014 -6.065) 10.131 30.353 ( -1.894 4.541 0.508) 4.946 30.388 ( 0.498 3.598 0.248) 3.640 30.921 ( -0.581 7.851 5.862) 9.815 30.986 ( 3.344 -0.938 16.078) 16.449 31.541 ( 1.176 -2.754 5.604) 6.354 31.870 ( -6.330 10.147 -8.398) 14.614 32.040 ( -1.488 -3.029 2.640) 4.285 32.451 ( -1.522 -0.591 -5.410) 5.651 33.079 ( 2.040 -5.784 0.241) 6.138 33.169 ( -2.324 -2.848 0.256) 3.685 33.554 ( 4.512 4.736 -1.671) 6.751 34.050 ( 4.206 27.368 -6.519) 28.446 35.095 ( 3.363 -9.081 32.015) 33.447 38.239 ( 2.044 -23.967 -23.911) 33.917 ======================= Grid point 94 (42/136) ======================= q-point: (-0.45 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -6.659 0.271 0.334) 6.673 3.447 ( -0.280 -1.077 1.330) 1.734 3.747 ( -1.526 5.568 0.201) 5.777 3.940 ( -8.687 1.238 -2.551) 9.138 4.091 ( -5.058 1.470 -2.604) 5.876 4.173 ( -1.666 2.619 -2.066) 3.729 4.384 ( 1.644 0.970 6.210) 6.497 4.557 ( 0.078 -3.837 1.811) 4.244 4.814 ( -1.056 -4.279 7.790) 8.950 5.130 ( 3.173 -1.439 -1.541) 3.810 5.246 ( 0.989 -1.607 -1.315) 2.300 5.490 ( -1.747 -13.594 -0.143) 13.707 6.014 ( 3.807 -6.193 7.005) 10.095 6.231 ( 4.330 7.351 -0.162) 8.534 6.703 ( 2.670 20.698 13.251) 24.721 7.404 ( -2.031 -2.411 -1.010) 3.310 7.777 ( -1.215 3.192 9.491) 10.087 8.083 ( 3.624 -11.317 -14.238) 18.546 8.379 ( -2.800 10.492 -4.246) 11.660 8.445 ( -2.392 -3.823 7.972) 9.159 9.057 ( 5.213 3.362 5.587) 8.348 9.098 ( 5.223 6.312 6.067) 10.194 9.626 ( -3.374 7.325 -7.492) 11.008 9.965 ( -3.844 -12.364 1.280) 13.010 10.001 ( 0.772 -4.587 1.777) 4.979 10.286 ( -2.312 -2.660 -0.813) 3.617 10.507 ( -0.220 -1.727 -0.468) 1.802 10.920 ( -4.187 10.736 -5.255) 12.665 10.981 ( 3.568 7.019 -0.307) 7.880 11.146 ( 1.126 2.606 -16.643) 16.883 11.370 ( 4.453 0.946 10.863) 11.778 11.651 ( 2.143 2.223 2.577) 4.022 11.917 ( -6.425 -7.157 -6.665) 11.702 12.127 ( -1.504 -2.961 10.210) 10.736 12.638 ( 9.108 -2.668 1.751) 9.651 12.720 ( 0.385 -20.117 0.215) 20.122 13.226 ( -0.164 1.322 -6.181) 6.323 13.614 ( 2.563 1.647 5.085) 5.928 13.851 ( 1.544 -2.561 -12.239) 12.599 13.957 ( -6.128 0.112 3.277) 6.951 14.141 ( -2.275 9.280 -4.698) 10.647 14.842 ( -0.847 -4.374 -0.895) 4.544 15.191 ( 2.187 -4.690 2.379) 5.696 15.282 ( -4.572 10.617 -9.758) 15.127 15.804 ( 3.993 12.420 6.479) 14.567 15.841 ( -5.711 -11.224 -1.926) 12.740 16.048 ( 4.938 0.932 12.992) 13.930 16.503 ( -1.685 1.171 4.317) 4.779 16.788 ( 3.490 -2.216 1.187) 4.301 16.919 ( 3.599 -2.780 1.194) 4.702 17.825 ( -1.198 9.430 -7.648) 12.200 18.381 ( 2.743 -4.589 -7.910) 9.547 18.624 ( 4.270 -9.199 4.477) 11.086 19.315 ( -1.661 -11.338 3.263) 11.915 19.444 ( -0.387 4.825 -35.042) 35.375 19.752 ( 1.167 1.389 3.676) 4.100 19.991 ( -0.296 -1.501 -7.183) 7.344 20.256 ( -6.300 2.430 0.011) 6.752 20.571 ( 2.410 3.233 -11.317) 12.014 20.795 ( 1.891 2.667 3.608) 4.868 20.967 ( -7.713 -1.979 10.426) 13.119 21.528 ( -2.245 -1.729 14.081) 14.364 21.700 ( 0.511 8.956 -1.931) 9.176 22.024 ( 0.039 2.276 0.477) 2.326 23.006 ( -1.155 2.580 12.805) 13.113 23.506 ( -2.059 -6.286 -3.754) 7.606 23.571 ( 4.613 -7.487 4.659) 9.952 23.601 ( 9.002 -3.751 12.883) 16.158 24.346 ( -2.865 2.541 -7.720) 8.617 24.603 ( 1.491 1.800 5.364) 5.851 24.979 ( 0.616 -2.560 6.454) 6.970 25.131 ( 1.909 2.586 3.841) 5.009 25.710 ( -0.705 3.297 -12.261) 12.716 26.204 ( -2.771 7.591 -1.502) 8.219 27.011 ( 6.586 -8.734 2.967) 11.334 27.525 ( -1.195 -12.838 9.126) 15.796 28.236 ( -2.408 10.202 -5.382) 11.783 28.807 ( 2.579 9.217 -13.754) 16.756 29.069 ( 0.769 -2.692 2.212) 3.568 29.362 ( -0.626 -5.564 2.246) 6.033 29.449 ( -5.372 -2.333 -12.167) 13.503 29.944 ( 1.061 -4.076 -6.669) 7.888 30.241 ( -5.603 9.699 -0.739) 11.226 30.432 ( 0.987 -2.707 0.584) 2.940 30.920 ( 0.231 8.463 7.618) 11.389 31.095 ( 6.264 -1.307 16.295) 17.507 31.578 ( 2.222 -2.021 5.546) 6.307 31.744 ( -4.051 3.729 -7.347) 9.181 32.116 ( 7.670 2.677 0.933) 8.177 32.427 ( -0.883 0.757 -6.324) 6.430 33.111 ( 0.855 -7.058 1.185) 7.207 33.147 ( 0.237 -3.099 -0.533) 3.154 33.578 ( -2.109 4.665 -1.568) 5.355 34.062 ( -2.850 27.554 -6.275) 28.403 35.071 ( -6.415 -9.137 31.846) 33.746 38.240 ( -1.431 -23.893 -23.820) 33.769 ======================= Grid point 95 (43/136) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( -16.861 2.462 3.345) 17.365 3.332 ( -13.861 2.483 6.189) 15.382 3.625 ( -10.547 1.015 -1.076) 10.650 3.757 ( -4.205 4.839 -2.527) 6.891 3.985 ( -4.549 -0.541 -3.852) 5.985 4.107 ( -4.337 4.043 -2.033) 6.268 4.442 ( 2.351 -1.309 0.599) 2.756 4.557 ( 0.032 -0.025 2.831) 2.832 4.786 ( -0.451 -1.819 5.581) 5.887 5.237 ( 2.619 -4.260 0.319) 5.010 5.260 ( -11.033 -5.689 5.408) 13.540 5.284 ( -4.234 -2.301 -2.420) 5.392 6.154 ( 8.994 -6.831 6.975) 13.275 6.395 ( 10.550 2.123 -0.146) 10.763 6.807 ( 6.581 13.635 6.957) 16.662 7.387 ( -0.337 -2.090 4.411) 4.892 7.745 ( -0.377 10.997 3.385) 11.512 8.178 ( 5.191 -15.882 -12.265) 20.727 8.337 ( -0.701 17.550 -0.171) 17.565 8.454 ( 2.765 -7.420 5.978) 9.922 9.160 ( 3.996 1.376 6.567) 7.809 9.203 ( 4.886 1.992 10.311) 11.582 9.514 ( -6.509 0.481 -8.206) 10.485 9.886 ( -4.593 -10.698 -0.651) 11.661 9.965 ( -4.426 -1.646 1.560) 4.974 10.181 ( -7.382 -4.391 0.618) 8.611 10.495 ( -0.803 0.155 -4.769) 4.839 10.806 ( -6.153 9.807 -5.330) 12.746 11.005 ( 0.800 14.018 -6.435) 15.445 11.246 ( 6.825 -6.202 -1.019) 9.278 11.490 ( 7.381 2.836 7.025) 10.577 11.682 ( 0.856 0.870 1.038) 1.602 11.846 ( 0.089 0.282 -7.681) 7.687 12.096 ( -1.654 -0.026 10.899) 11.024 12.774 ( 5.030 -14.012 -2.568) 15.107 12.851 ( 10.094 -10.589 1.297) 14.687 13.228 ( 0.473 -2.878 -5.527) 6.250 13.617 ( -4.203 1.284 1.214) 4.559 13.845 ( -1.692 -0.205 1.089) 2.022 13.899 ( 2.476 -3.388 -12.174) 12.877 14.117 ( 0.009 9.455 -6.021) 11.209 14.813 ( -1.573 -3.474 -0.518) 3.848 15.121 ( -9.721 9.709 -2.376) 13.943 15.271 ( 4.839 -0.989 -1.598) 5.191 15.744 ( -3.166 -2.121 0.601) 3.858 15.908 ( 5.687 2.171 3.110) 6.836 16.179 ( 6.533 -1.612 14.102) 15.625 16.485 ( -0.195 3.648 5.150) 6.314 16.863 ( 4.359 0.838 5.054) 6.727 17.051 ( 7.398 -6.869 -2.285) 10.351 17.813 ( 0.156 7.971 -7.919) 11.237 18.427 ( 1.720 -1.654 -10.100) 10.378 18.713 ( 4.325 -13.325 8.773) 16.530 19.252 ( -4.251 -13.542 -1.312) 14.254 19.421 ( -0.921 5.601 -30.651) 31.172 19.752 ( -1.382 0.862 4.733) 5.006 19.982 ( -0.224 -2.058 -7.958) 8.223 20.155 ( -3.396 6.512 5.133) 8.960 20.554 ( -4.269 13.743 -10.163) 17.618 20.804 ( -0.279 11.738 2.745) 12.058 20.874 ( -1.670 -14.343 6.530) 15.848 21.455 ( -4.561 -3.521 10.162) 11.682 21.673 ( -2.625 4.131 -0.265) 4.901 22.049 ( 2.256 0.354 2.550) 3.423 23.014 ( 1.727 4.642 12.325) 13.283 23.448 ( -1.975 -3.874 -9.117) 10.101 23.682 ( 6.546 -8.892 12.848) 16.941 23.865 ( 13.147 -2.574 10.363) 16.937 24.294 ( -1.917 3.047 -8.388) 9.128 24.645 ( 2.466 2.555 4.951) 6.093 24.989 ( -0.142 -1.559 2.689) 3.112 25.182 ( 3.012 1.991 8.545) 9.276 25.713 ( 1.437 2.170 -12.345) 12.616 26.162 ( -1.111 8.452 -3.343) 9.157 27.171 ( 8.493 -11.453 5.149) 15.160 27.489 ( -2.317 -11.970 10.225) 15.912 28.179 ( -2.720 10.232 -5.065) 11.736 28.862 ( 2.835 7.517 -14.191) 16.307 29.082 ( -0.297 -5.298 -2.242) 5.761 29.289 ( -5.967 -2.731 -6.327) 9.116 29.373 ( -1.272 -2.713 -0.984) 3.154 29.959 ( -0.396 1.040 -6.937) 7.026 30.139 ( -3.954 8.214 0.462) 9.128 30.438 ( 0.198 0.306 1.190) 1.244 30.928 ( 0.324 9.669 7.032) 11.960 31.238 ( 6.689 -1.390 17.418) 18.710 31.580 ( -2.511 -2.146 12.417) 12.849 31.760 ( 5.270 -0.334 -13.787) 14.763 32.338 ( 12.691 3.153 1.261) 13.138 32.407 ( -0.396 2.056 -8.820) 9.065 33.108 ( -1.518 -6.612 2.255) 7.149 33.170 ( 1.686 -2.598 -1.263) 3.344 33.477 ( -6.971 3.521 -1.837) 8.023 33.944 ( -7.825 26.635 -5.234) 28.250 34.858 ( -13.898 -8.925 31.272) 35.366 38.166 ( -5.398 -26.454 -26.119) 37.565 ======================= Grid point 96 (44/136) ======================= q-point: (-0.27 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -24.574 6.868 10.537) 27.606 2.854 ( -29.018 12.139 10.755) 33.243 3.463 ( -6.169 -4.412 -3.049) 8.174 3.678 ( -3.862 4.580 -3.072) 6.732 3.915 ( -2.650 -1.642 -3.113) 4.406 4.002 ( -5.322 0.391 -3.911) 6.617 4.416 ( -5.287 -0.900 -1.800) 5.657 4.525 ( -17.273 0.247 10.976) 20.467 4.646 ( -22.748 6.865 0.420) 23.765 4.853 ( 6.914 0.720 0.267) 6.956 5.312 ( 2.073 -4.845 4.474) 6.912 5.392 ( 6.806 -1.814 -0.281) 7.049 6.370 ( 10.780 -8.590 5.103) 14.698 6.652 ( 13.828 -1.717 0.613) 13.947 6.903 ( 0.674 0.058 -5.638) 5.679 7.403 ( 2.974 14.784 15.006) 21.274 7.799 ( 4.974 4.741 -2.075) 7.178 8.211 ( -1.770 -13.163 -5.160) 14.248 8.432 ( 9.446 14.236 -4.433) 17.651 8.525 ( 3.072 -6.542 7.752) 10.598 9.204 ( -0.334 -1.650 5.583) 5.831 9.304 ( 3.592 -5.316 18.024) 19.132 9.376 ( -5.959 -2.590 -8.041) 10.338 9.725 ( -9.216 -5.412 -5.952) 12.233 9.856 ( -6.654 -7.942 0.075) 10.361 10.020 ( -6.760 0.877 5.796) 8.947 10.470 ( -1.595 -0.901 -11.273) 11.421 10.688 ( -4.284 11.281 -5.155) 13.122 11.036 ( 1.967 14.009 -10.709) 17.743 11.381 ( 5.576 -8.803 10.199) 14.581 11.638 ( 4.313 0.552 0.200) 4.353 11.750 ( 6.858 0.827 -0.249) 6.912 11.921 ( 7.463 7.287 -5.578) 11.828 12.078 ( 1.190 3.004 11.501) 11.946 12.887 ( 4.752 -10.893 -3.697) 12.446 13.042 ( 7.561 -12.342 -3.128) 14.808 13.243 ( 1.206 -7.079 -2.470) 7.594 13.461 ( -8.521 1.514 -2.319) 8.960 13.888 ( 3.624 -3.918 -11.145) 12.357 13.943 ( 2.468 -1.395 -2.650) 3.881 14.124 ( 0.228 9.671 -7.583) 12.291 14.789 ( -0.806 -3.473 0.525) 3.604 14.914 ( -8.670 9.849 -2.218) 13.308 15.384 ( 5.556 -0.945 -0.461) 5.655 15.706 ( -0.581 2.406 1.907) 3.125 16.040 ( 6.880 -2.312 1.296) 7.373 16.305 ( 4.929 -4.745 16.446) 17.812 16.497 ( 1.175 6.267 5.569) 8.465 16.969 ( 5.364 0.380 6.144) 8.165 17.182 ( 4.682 -7.249 -1.044) 8.692 17.822 ( 0.709 4.750 -7.962) 9.298 18.448 ( 0.721 2.593 -13.051) 13.326 18.813 ( 5.010 -18.167 13.533) 23.201 19.151 ( -4.872 -11.595 -5.629) 13.779 19.401 ( -0.318 6.887 -24.262) 25.222 19.707 ( -2.623 0.994 2.504) 3.760 19.967 ( -1.673 4.048 -4.353) 6.175 20.113 ( -0.686 2.577 4.997) 5.664 20.409 ( -8.728 15.297 -3.700) 17.996 20.814 ( 0.333 10.078 -3.188) 10.576 20.849 ( -0.679 -8.741 6.906) 11.161 21.355 ( -4.718 -3.648 3.469) 6.899 21.626 ( -1.263 -0.565 5.855) 6.016 22.114 ( 3.747 -1.767 4.835) 6.367 23.077 ( 3.893 4.971 7.486) 9.793 23.431 ( 0.638 -2.202 -9.161) 9.444 23.832 ( 7.193 -6.918 15.886) 18.761 24.117 ( 9.869 -3.402 6.999) 12.568 24.274 ( 0.901 6.295 -7.556) 9.876 24.714 ( 4.194 2.800 4.700) 6.893 24.967 ( -1.768 0.005 -1.012) 2.037 25.266 ( 4.927 1.614 12.964) 13.962 25.764 ( 3.514 1.004 -10.478) 11.097 26.162 ( 1.285 7.105 -4.169) 8.338 27.356 ( 7.990 -17.145 4.577) 19.461 27.448 ( -0.623 -7.039 12.775) 14.599 28.129 ( -1.753 10.357 -3.674) 11.128 28.899 ( -0.740 4.227 -22.729) 23.131 29.006 ( -5.433 -6.394 -3.653) 9.152 29.219 ( -0.085 1.801 4.075) 4.456 29.351 ( -1.274 -2.113 -4.407) 5.051 29.890 ( -5.879 12.401 -7.017) 15.414 30.094 ( -0.578 2.289 4.238) 4.851 30.460 ( 2.079 2.223 -0.189) 3.049 30.937 ( 0.329 10.014 4.300) 10.904 31.357 ( 3.689 -1.710 19.487) 19.907 31.534 ( -1.343 -4.432 14.413) 15.139 31.855 ( 1.986 -2.781 -11.666) 12.156 32.376 ( -0.414 6.715 -9.018) 11.251 32.651 ( 14.816 -0.605 -0.531) 14.838 33.023 ( -7.412 -5.648 1.995) 9.529 33.193 ( -0.515 -0.159 -4.637) 4.668 33.327 ( -5.726 2.992 1.692) 6.679 33.766 ( -8.191 22.806 -2.628) 24.374 34.565 ( -13.032 -7.792 26.613) 30.640 37.987 ( -11.946 -32.370 -31.636) 46.812 ======================= Grid point 97 (45/136) ======================= q-point: (-0.18 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -29.340 13.266 17.542) 36.667 2.223 ( -30.189 18.353 16.721) 39.088 3.340 ( -5.415 -5.633 -5.437) 9.520 3.572 ( -35.245 14.712 10.614) 39.639 3.638 ( -16.106 9.389 6.232) 19.657 3.831 ( -5.849 0.288 3.141) 6.646 3.901 ( -6.634 -1.813 -11.987) 13.820 4.299 ( -4.255 -2.139 -1.175) 4.905 4.611 ( 1.307 0.339 -1.335) 1.898 5.027 ( 8.511 1.489 -5.812) 10.413 5.350 ( 1.563 -3.449 8.489) 9.295 5.523 ( 5.573 -2.042 0.638) 5.969 6.568 ( 7.528 -11.202 1.278) 13.557 6.823 ( -5.693 -2.953 -6.176) 8.904 6.964 ( 14.552 -2.064 -3.777) 15.175 7.512 ( 5.416 22.788 15.274) 27.963 7.909 ( 4.893 -5.211 -0.547) 7.169 8.157 ( -2.755 -10.866 -6.376) 12.896 8.567 ( 0.661 -4.194 6.455) 7.726 8.643 ( 9.195 8.348 -5.678) 13.656 9.147 ( -4.806 -7.165 1.567) 8.769 9.192 ( -8.469 -4.519 6.527) 11.608 9.402 ( 3.060 0.707 13.518) 13.878 9.606 ( -1.283 -7.050 -8.820) 11.364 9.687 ( -8.203 -14.324 3.597) 16.894 9.915 ( -4.086 8.221 9.487) 13.202 10.404 ( -5.278 -10.196 -18.436) 21.718 10.658 ( 1.782 18.703 -3.375) 19.089 11.065 ( 0.910 11.810 -13.336) 17.837 11.469 ( 2.521 -8.051 13.009) 15.505 11.704 ( 2.701 2.515 0.295) 3.702 11.894 ( 5.121 0.346 -2.273) 5.614 11.998 ( 2.168 6.046 -0.514) 6.443 12.319 ( 18.939 6.053 6.506) 20.920 12.910 ( -3.806 -7.843 -2.966) 9.208 13.129 ( 1.090 -9.108 -3.944) 9.985 13.272 ( -1.122 -1.151 -9.331) 9.469 13.355 ( 2.055 -10.243 3.985) 11.181 13.889 ( -2.569 -5.327 -21.519) 22.316 14.053 ( 6.365 2.693 1.206) 7.016 14.101 ( -2.402 7.840 -5.909) 10.107 14.725 ( -3.841 2.022 -1.408) 4.563 14.855 ( 2.081 1.823 -0.108) 2.769 15.483 ( 3.625 -4.086 -1.525) 5.671 15.718 ( 1.443 7.606 2.268) 8.067 16.196 ( 8.177 -5.460 0.736) 9.860 16.379 ( 1.412 -8.671 18.310) 20.309 16.534 ( 2.410 8.267 5.278) 10.100 17.072 ( 3.619 -2.167 4.977) 6.524 17.239 ( 1.283 -5.698 2.924) 6.532 17.832 ( 0.372 0.551 -6.015) 6.051 18.461 ( 1.095 5.352 -16.604) 17.480 18.913 ( 3.282 -24.163 19.426) 31.177 19.080 ( -0.620 -2.025 -9.420) 9.656 19.392 ( -0.258 7.478 -19.177) 20.585 19.660 ( -1.506 2.174 1.218) 2.912 19.897 ( -4.759 8.943 -1.986) 10.324 20.127 ( 1.711 -2.766 -0.048) 3.253 20.212 ( -9.446 15.318 1.752) 18.082 20.768 ( -3.711 -2.460 1.058) 4.576 20.890 ( 3.562 6.317 1.375) 7.381 21.286 ( -1.558 -2.429 2.027) 3.527 21.624 ( 0.521 -4.031 9.640) 10.462 22.196 ( 3.735 -2.545 8.484) 9.613 23.165 ( 4.036 3.109 -1.141) 5.221 23.471 ( 3.315 -0.997 -5.778) 6.735 23.988 ( 7.741 -4.495 19.278) 21.255 24.218 ( 0.949 -0.309 -1.332) 1.665 24.374 ( 7.070 8.406 -2.741) 11.321 24.811 ( 3.635 1.208 3.321) 5.069 24.951 ( 2.309 2.507 -1.355) 3.668 25.410 ( 9.938 3.345 18.345) 21.131 25.847 ( 4.429 -0.257 -7.345) 8.581 26.213 ( 3.557 4.183 -3.887) 6.727 27.374 ( -2.329 -15.719 7.618) 17.622 27.593 ( 9.694 -9.189 9.211) 16.226 28.114 ( 0.624 11.439 -1.767) 11.591 28.737 ( -10.380 -2.882 -20.848) 23.467 28.993 ( 1.581 4.102 -3.157) 5.412 29.241 ( 1.299 2.055 5.515) 6.027 29.309 ( -2.594 0.939 -11.135) 11.471 29.758 ( -5.433 20.326 -4.235) 21.461 30.086 ( -1.001 0.554 7.053) 7.145 30.523 ( 3.942 0.957 -3.362) 5.269 30.937 ( -0.384 7.818 1.305) 7.935 31.391 ( -0.376 -2.557 20.376) 20.539 31.536 ( 0.313 -7.642 16.766) 18.429 31.790 ( -6.958 -1.805 -2.011) 7.464 32.414 ( 4.447 8.094 -15.324) 17.892 32.775 ( -13.300 -2.820 3.231) 13.975 32.885 ( 1.552 -2.619 0.174) 3.049 33.134 ( -1.402 3.422 -3.547) 5.124 33.289 ( 0.429 2.450 7.315) 7.727 33.656 ( -0.913 14.815 -4.085) 15.394 34.391 ( -3.831 -4.205 15.748) 16.744 37.590 ( -28.287 -43.024 -42.143) 66.538 ======================= Grid point 98 (46/136) ======================= q-point: (-0.09 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -28.410 21.095 20.762) 41.027 1.655 ( -24.003 25.534 25.956) 43.610 2.616 ( -39.363 41.367 35.173) 67.065 3.250 ( -2.807 -5.577 -6.587) 9.076 3.626 ( 1.729 3.205 -2.078) 4.193 3.691 ( -8.164 1.169 -12.044) 14.597 3.746 ( -5.459 2.129 -0.537) 5.884 4.284 ( 2.294 -7.078 -3.542) 8.240 4.631 ( 0.391 -3.543 -0.213) 3.571 5.161 ( 3.930 -0.130 -5.866) 7.062 5.396 ( 2.996 1.408 7.559) 8.252 5.620 ( 3.758 -2.232 2.060) 4.832 6.660 ( -0.461 -8.715 -3.970) 9.588 6.710 ( -2.294 -5.508 -6.661) 8.943 7.216 ( 6.692 -1.584 0.708) 6.913 7.585 ( 2.199 20.897 5.364) 21.686 8.006 ( 5.300 -9.537 2.876) 11.283 8.095 ( -3.616 -10.961 -9.783) 15.130 8.546 ( -2.734 -9.925 -2.259) 10.539 8.735 ( -0.400 2.926 -7.582) 8.137 9.061 ( -4.418 -7.332 -0.056) 8.561 9.093 ( 0.604 3.046 5.522) 6.335 9.434 ( -2.876 3.812 3.327) 5.820 9.564 ( -0.519 -10.617 13.517) 17.196 9.624 ( 0.202 -13.812 -1.095) 13.857 9.847 ( -2.777 12.753 12.099) 17.797 10.214 ( -11.928 -12.251 -12.456) 21.154 10.740 ( 5.226 21.225 -0.550) 21.866 11.070 ( -0.046 9.564 -14.306) 17.208 11.497 ( 0.145 -5.122 12.477) 13.488 11.736 ( -0.677 2.827 -0.988) 3.070 11.902 ( -0.634 8.695 -2.395) 9.042 12.141 ( 8.922 -0.471 -2.263) 9.216 12.653 ( 0.585 -1.996 1.537) 2.586 12.775 ( 1.357 3.235 5.564) 6.577 13.139 ( 0.936 -4.976 -3.204) 5.992 13.238 ( -0.192 -9.108 -10.379) 13.810 13.468 ( 6.300 -10.946 1.628) 12.734 13.804 ( -4.752 1.316 -13.639) 14.503 13.992 ( -6.125 4.282 -11.816) 13.982 14.183 ( 4.510 5.200 1.316) 7.008 14.704 ( 1.563 2.256 -2.582) 3.768 14.923 ( 3.988 -1.073 -1.700) 4.466 15.529 ( 0.673 -6.339 -3.962) 7.506 15.753 ( 2.036 8.871 1.699) 9.259 16.337 ( -2.751 -9.510 13.741) 16.936 16.389 ( 6.506 -8.722 9.676) 14.561 16.623 ( 6.473 7.806 3.064) 10.593 17.071 ( -3.984 -9.524 0.653) 10.344 17.279 ( 2.464 -0.115 8.126) 8.492 17.845 ( 1.254 -3.237 -0.926) 3.593 18.477 ( -0.074 1.972 -21.969) 22.057 18.955 ( 2.115 -11.734 12.390) 17.196 19.122 ( 2.606 -4.625 -2.336) 5.800 19.375 ( -0.994 6.540 -16.903) 18.152 19.658 ( 1.179 1.956 1.088) 2.530 19.783 ( -5.642 7.806 -4.764) 10.745 20.058 ( -4.472 16.872 7.417) 18.965 20.180 ( 3.294 -5.373 -1.957) 6.600 20.686 ( -3.817 -5.773 -0.074) 6.921 20.969 ( 3.275 8.808 -0.979) 9.448 21.296 ( 2.367 -1.208 8.996) 9.380 21.633 ( -0.301 -6.220 9.726) 11.549 22.268 ( 2.930 -1.088 11.856) 12.261 23.233 ( 2.597 0.729 -9.141) 9.531 23.557 ( 4.506 -0.974 -0.602) 4.649 24.154 ( 3.018 -2.390 5.105) 6.394 24.212 ( 2.327 -0.575 16.777) 16.947 24.498 ( 4.871 13.051 -8.039) 16.084 24.835 ( 0.298 0.562 0.101) 0.644 25.058 ( 4.205 0.373 -0.265) 4.230 25.836 ( 33.704 -0.174 28.186) 43.937 25.929 ( 3.057 -0.914 -4.413) 5.446 26.305 ( 5.940 2.215 -3.494) 7.238 27.324 ( -2.521 -14.541 7.230) 16.434 27.734 ( 1.148 -16.159 3.986) 16.682 28.152 ( 1.969 12.322 -0.177) 12.479 28.597 ( 1.177 11.179 -11.676) 16.208 29.023 ( 1.251 4.656 -4.219) 6.406 29.254 ( -0.505 9.842 -17.718) 20.274 29.275 ( 2.099 1.735 5.622) 6.247 29.713 ( 2.914 22.086 -4.956) 22.823 30.040 ( -3.673 0.805 9.028) 9.779 30.607 ( 3.285 -0.055 -6.484) 7.269 30.940 ( 2.071 3.355 2.703) 4.780 31.357 ( -4.002 -5.441 13.722) 15.294 31.493 ( -4.171 -4.949 10.971) 12.738 31.733 ( 5.141 -4.241 20.891) 21.928 32.450 ( -12.115 2.699 1.338) 12.484 32.552 ( 7.303 3.786 -13.941) 16.187 32.817 ( -4.788 2.390 -0.740) 5.402 33.163 ( 1.795 -3.981 0.505) 4.396 33.305 ( 0.706 3.525 9.362) 10.029 33.723 ( 5.652 12.615 -7.670) 15.808 34.376 ( 0.911 -1.578 6.922) 7.158 36.579 ( -74.580 -48.935 -51.735) 103.118 ======================= Grid point 99 (47/136) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 1.781 30.916 14.757) 34.304 2.103 ( -0.141 36.930 17.662) 40.937 3.019 ( -2.790 0.847 -2.486) 3.832 3.317 ( -2.643 37.110 13.511) 39.582 3.591 ( -1.591 -0.288 -1.654) 2.313 3.648 ( -2.006 3.128 -10.192) 10.849 3.914 ( 7.204 7.826 -2.248) 10.872 4.130 ( 1.353 -8.207 -0.335) 8.324 4.445 ( -2.171 -8.290 3.475) 9.247 5.240 ( -1.248 3.329 -5.530) 6.574 5.352 ( 1.607 -11.202 3.920) 11.976 5.678 ( 1.043 -1.560 2.142) 2.848 6.462 ( 0.587 -5.537 -1.378) 5.736 6.608 ( -1.534 -0.891 -14.840) 14.946 7.234 ( -1.292 1.329 11.767) 11.912 7.674 ( -1.366 -11.014 -5.460) 12.369 7.844 ( -0.846 -8.647 -6.276) 10.718 7.949 ( -4.604 -16.060 -2.223) 16.854 8.195 ( 5.709 3.346 1.600) 6.808 8.678 ( -1.009 -5.298 2.240) 5.840 8.784 ( -2.458 -4.909 -3.555) 6.541 8.947 ( -2.938 -9.946 6.528) 12.254 9.416 ( 4.580 1.540 7.361) 8.805 9.621 ( 1.265 4.096 1.423) 4.517 9.828 ( -0.562 12.913 5.733) 14.139 10.143 ( 5.666 13.607 3.804) 15.223 10.194 ( -2.829 20.605 3.534) 21.096 11.036 ( -0.393 -8.278 0.727) 8.319 11.227 ( 1.355 16.332 0.929) 16.415 11.510 ( -2.229 2.665 -2.913) 4.534 11.748 ( -2.078 2.541 -6.173) 6.992 12.110 ( -3.380 9.088 -3.825) 10.424 12.254 ( -10.378 -9.271 -4.010) 14.482 12.336 ( 5.580 -3.596 -0.009) 6.638 12.723 ( 5.510 -27.385 0.456) 27.938 12.924 ( -9.785 2.016 -11.767) 15.436 13.178 ( 1.954 3.490 0.404) 4.020 13.480 ( 8.110 1.983 6.060) 10.316 13.886 ( 0.908 5.498 -0.406) 5.587 14.053 ( 0.776 8.899 -5.344) 10.410 14.367 ( 1.463 4.201 4.154) 6.087 14.800 ( 0.646 -0.144 0.355) 0.751 14.906 ( 3.037 -5.156 3.236) 6.803 15.330 ( 0.509 -10.354 -4.925) 11.477 15.819 ( -6.107 -13.995 2.455) 15.466 16.071 ( 2.948 -4.244 -1.141) 5.292 16.370 ( 0.724 3.188 8.424) 9.036 16.755 ( -0.222 -0.315 -9.131) 9.139 16.927 ( 3.403 0.146 4.769) 5.861 17.249 ( -1.768 -5.057 -4.390) 6.926 17.932 ( 1.660 3.653 8.811) 9.682 18.402 ( -4.639 5.504 -6.947) 10.004 18.690 ( 4.201 -19.590 -1.674) 20.105 19.123 ( -6.057 0.531 -3.976) 7.265 19.512 ( -2.971 9.805 -11.231) 15.202 19.729 ( 0.374 4.147 0.368) 4.180 19.866 ( 1.679 6.393 -7.599) 10.071 20.114 ( 3.146 -4.203 2.980) 6.037 20.208 ( -0.252 -3.050 2.406) 3.893 20.572 ( -3.127 6.985 -8.674) 11.567 21.064 ( 0.787 -4.297 -2.882) 5.233 21.338 ( 3.510 -3.461 19.353) 19.971 21.571 ( -1.716 6.420 10.778) 12.662 22.301 ( 1.754 -3.170 6.109) 7.103 23.256 ( 1.157 -0.881 -3.993) 4.249 23.539 ( 0.100 -6.446 6.841) 9.400 24.039 ( -9.014 2.877 -1.281) 9.548 24.278 ( 4.332 -4.350 19.210) 20.167 24.861 ( -1.154 10.358 -11.368) 15.423 24.921 ( 1.368 3.320 -1.746) 3.993 25.091 ( -2.240 7.614 1.763) 8.130 25.936 ( 4.994 -5.170 -0.066) 7.189 26.020 ( -3.447 -7.067 0.684) 7.892 26.380 ( 1.854 -5.440 -9.305) 10.937 26.977 ( -1.985 -11.025 7.066) 13.244 27.331 ( 0.482 -15.380 1.988) 15.515 28.411 ( 1.284 10.839 -0.582) 10.931 28.974 ( 3.534 -6.130 -11.678) 13.655 29.095 ( -0.560 14.544 -0.659) 14.569 29.304 ( -0.859 4.566 -0.196) 4.650 29.658 ( -1.815 14.025 -2.361) 14.337 30.016 ( 0.512 4.086 9.000) 9.897 30.274 ( 7.683 11.949 -19.321) 23.982 30.564 ( -2.248 -3.986 -7.659) 8.922 30.979 ( -3.981 -13.307 5.788) 15.048 31.105 ( 8.283 -3.372 2.757) 9.358 31.469 ( 1.875 -0.382 12.122) 12.272 31.629 ( -3.345 -7.846 26.460) 27.801 32.328 ( -0.045 1.262 3.663) 3.875 32.616 ( 1.868 -9.485 -4.448) 10.641 32.811 ( -2.975 3.027 -1.482) 4.495 33.170 ( -8.638 -5.551 -1.636) 10.397 33.331 ( 4.239 9.905 -5.508) 12.100 33.969 ( 5.060 -2.425 -13.317) 14.451 34.422 ( -4.232 9.753 8.812) 13.809 35.051 ( -0.464 -3.202 -8.327) 8.933 ======================= Grid point 100 (48/136) ======================= q-point: ( 0.09 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 13.719 28.018 13.669) 34.060 2.311 ( 17.969 30.682 17.508) 39.633 3.047 ( 6.027 1.848 -5.068) 8.089 3.417 ( 11.940 30.097 7.416) 33.218 3.591 ( 1.748 -1.006 -2.640) 3.322 3.669 ( 3.971 4.560 -8.026) 10.049 4.049 ( 4.447 -1.395 1.327) 4.846 4.197 ( 5.260 -4.044 1.432) 6.788 4.439 ( 2.305 -4.285 1.707) 5.157 5.170 ( -5.225 -0.839 -2.994) 6.081 5.360 ( -0.704 -7.661 2.867) 8.210 5.640 ( -4.792 -2.966 2.265) 6.074 6.456 ( -1.952 -3.591 -0.697) 4.146 6.595 ( 0.180 -2.056 -14.302) 14.450 7.232 ( 0.910 1.347 9.899) 10.032 7.652 ( -0.723 -10.541 -9.135) 13.967 7.773 ( -5.974 0.604 1.528) 6.196 7.922 ( 3.847 -20.108 -7.039) 21.649 8.353 ( 7.425 4.030 9.845) 12.973 8.679 ( 0.534 -1.261 2.249) 2.633 8.801 ( 3.956 -0.743 -7.097) 8.159 8.910 ( -0.728 -4.767 8.225) 9.535 9.474 ( 0.767 1.274 4.356) 4.603 9.582 ( -3.283 10.875 2.181) 11.567 9.833 ( 1.185 -2.578 6.835) 7.400 10.170 ( 1.647 18.815 -0.536) 18.894 10.254 ( 3.309 10.282 2.739) 11.144 11.003 ( -3.844 -3.108 3.708) 6.179 11.223 ( -1.826 8.498 1.600) 8.838 11.418 ( -4.968 1.213 -6.739) 8.460 11.715 ( -2.375 4.387 -9.739) 10.943 11.990 ( -10.171 -7.840 -3.407) 13.287 12.039 ( -2.799 6.900 -2.618) 7.893 12.450 ( -1.541 -20.382 -0.826) 20.457 12.649 ( -11.185 1.415 -9.069) 14.469 12.847 ( 4.095 -15.735 -0.755) 16.277 13.183 ( -0.197 6.382 1.855) 6.649 13.629 ( 5.294 5.608 5.222) 9.314 13.886 ( 0.235 3.160 -2.245) 3.884 14.098 ( 1.741 12.567 0.200) 12.689 14.416 ( 2.722 0.271 -0.173) 2.741 14.777 ( -2.271 -1.845 3.352) 4.450 14.997 ( 5.455 -6.231 4.534) 9.441 15.321 ( -1.117 -5.167 -6.777) 8.595 15.719 ( -4.129 -9.945 -0.938) 10.809 16.124 ( 1.756 -10.990 1.181) 11.192 16.346 ( -2.183 5.219 8.965) 10.601 16.756 ( 0.274 0.520 -5.280) 5.313 16.952 ( -2.609 0.872 -3.117) 4.157 17.205 ( -1.064 -8.965 0.956) 9.078 17.984 ( 2.712 2.253 13.818) 14.260 18.292 ( -5.256 7.311 -12.060) 15.051 18.773 ( 3.893 -22.644 0.179) 22.977 18.921 ( -11.779 4.017 -5.800) 13.730 19.465 ( -1.201 10.159 -14.461) 17.713 19.725 ( -0.229 5.201 -0.274) 5.213 19.922 ( 2.538 6.355 -9.255) 11.510 20.188 ( 2.352 3.893 1.369) 4.750 20.250 ( 5.010 -10.203 3.481) 11.888 20.541 ( 0.538 7.281 -7.875) 10.739 21.053 ( -1.105 -1.092 4.859) 5.102 21.407 ( 1.516 -0.257 13.839) 13.924 21.582 ( 3.321 1.528 12.924) 13.431 22.300 ( -1.703 -3.633 5.870) 7.110 23.269 ( -0.305 -0.609 -5.844) 5.883 23.523 ( -1.220 -8.023 7.051) 10.751 23.807 ( -12.621 6.180 -0.014) 14.053 24.310 ( -1.786 -6.772 13.907) 15.571 24.777 ( -5.801 10.508 -10.845) 16.177 24.944 ( -0.370 0.690 0.284) 0.833 24.980 ( -7.067 6.393 2.891) 9.958 25.731 ( -19.944 -5.287 2.091) 20.739 25.984 ( 0.779 0.063 -3.483) 3.570 26.414 ( 2.556 -2.212 -3.907) 5.166 26.932 ( -2.586 -9.028 3.888) 10.164 27.383 ( 1.462 -15.117 3.626) 15.614 28.433 ( -0.415 12.429 -1.348) 12.509 28.995 ( -3.443 10.083 -9.145) 14.041 29.032 ( -0.170 -0.061 1.227) 1.240 29.252 ( -3.524 7.641 1.038) 8.479 29.584 ( -2.159 4.178 -7.272) 8.660 30.045 ( 1.026 5.195 7.119) 8.872 30.302 ( -3.610 -0.522 -13.044) 13.545 30.595 ( 4.262 6.370 -6.645) 10.144 30.920 ( -1.310 -11.365 5.777) 12.816 31.273 ( 4.615 3.669 12.803) 14.095 31.486 ( -4.157 -1.656 23.209) 23.637 31.543 ( 5.397 -2.764 9.144) 10.972 32.391 ( 2.149 -1.905 -3.967) 4.898 32.627 ( 0.329 -9.216 -3.939) 10.028 32.814 ( 4.520 5.238 -4.005) 7.994 33.052 ( -0.442 4.380 -3.096) 5.382 33.448 ( 2.616 10.206 3.199) 11.011 34.065 ( 4.769 1.145 -9.714) 10.882 34.304 ( -6.262 7.793 9.960) 14.112 35.664 ( 46.479 -33.979 -20.700) 61.183 ======================= Grid point 101 (49/136) ======================= q-point: ( 0.18 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 19.988 21.554 8.117) 30.496 2.713 ( 18.338 20.534 14.623) 31.173 3.233 ( 10.766 -2.684 -4.747) 12.069 3.657 ( 4.510 -0.570 -3.277) 5.604 3.770 ( 10.982 8.100 -6.404) 15.074 3.825 ( 19.322 13.002 1.586) 23.344 4.096 ( 1.024 -8.344 6.221) 10.458 4.337 ( 7.621 -3.948 1.608) 8.732 4.544 ( 7.089 3.758 -0.867) 8.070 5.033 ( -7.595 -3.744 -0.903) 8.515 5.331 ( -2.105 -2.973 2.447) 4.389 5.496 ( -8.372 -3.193 2.249) 9.238 6.362 ( -6.919 -1.422 0.157) 7.065 6.594 ( 0.001 -1.553 -8.818) 8.954 7.224 ( -2.975 0.341 5.259) 6.051 7.638 ( -0.771 -3.522 -8.277) 9.028 7.669 ( -3.249 -8.350 1.069) 9.023 8.052 ( 7.002 -14.632 -1.541) 16.293 8.440 ( -0.550 20.702 19.962) 28.764 8.700 ( 2.620 2.252 -2.249) 4.122 8.883 ( 3.312 -1.470 -0.087) 3.625 8.967 ( 5.389 -0.644 3.097) 6.249 9.471 ( 0.115 -0.973 4.297) 4.408 9.570 ( 2.766 0.796 -2.898) 4.084 9.871 ( 2.455 -5.034 2.752) 6.240 10.224 ( 2.658 17.700 3.021) 18.152 10.300 ( 1.449 4.145 -3.569) 5.658 10.868 ( -7.788 3.714 -0.968) 8.683 11.176 ( -2.555 -2.860 4.912) 6.231 11.312 ( -5.037 -3.627 -9.881) 11.668 11.626 ( -5.029 7.521 -12.019) 15.044 11.836 ( -6.626 0.346 -1.951) 6.916 12.017 ( 0.938 -0.216 -0.749) 1.219 12.242 ( -10.972 -6.638 0.251) 12.827 12.544 ( -4.049 -20.491 -2.969) 21.097 12.814 ( -6.896 -12.989 -4.082) 15.262 13.224 ( 3.584 8.136 3.282) 9.477 13.692 ( 0.533 7.755 4.812) 9.142 13.900 ( 0.795 -0.678 -3.801) 3.941 14.125 ( 1.429 15.353 1.929) 15.540 14.452 ( 0.729 -0.047 -0.253) 0.773 14.733 ( -1.670 0.182 3.795) 4.150 15.125 ( 5.869 -6.948 5.363) 10.558 15.300 ( -0.217 -3.474 -4.236) 5.483 15.629 ( -4.169 -1.754 -8.698) 9.803 16.104 ( -3.754 -19.790 6.592) 21.194 16.332 ( 0.467 11.517 5.878) 12.939 16.748 ( -1.215 1.048 -0.169) 1.614 16.820 ( -8.496 -2.519 -13.852) 16.444 17.211 ( 0.539 -8.193 12.810) 15.216 18.036 ( 1.830 -0.818 13.493) 13.641 18.194 ( -3.602 6.855 -13.395) 15.472 18.672 ( -10.574 6.430 -9.491) 15.596 18.867 ( 4.427 -22.776 1.034) 23.225 19.461 ( 1.174 10.930 -16.644) 19.947 19.730 ( 0.729 6.015 -0.196) 6.062 19.955 ( 1.056 3.291 -9.645) 10.245 20.225 ( 1.562 5.196 -3.763) 6.603 20.362 ( 4.809 -8.074 -0.494) 9.411 20.581 ( 2.557 4.175 -4.387) 6.574 21.057 ( 2.111 2.324 14.444) 14.781 21.420 ( 0.329 5.018 10.622) 11.752 21.689 ( 5.588 -2.705 12.826) 14.249 22.247 ( -3.172 -4.396 5.507) 7.728 23.234 ( -2.647 0.306 -8.101) 8.528 23.508 ( -0.999 -7.986 7.224) 10.815 23.547 ( -11.085 6.588 1.320) 12.962 24.188 ( -10.566 -6.596 4.650) 13.296 24.656 ( -4.415 10.230 -3.754) 11.758 24.805 ( -7.460 2.056 2.941) 8.278 24.944 ( -1.130 -1.252 2.730) 3.209 25.360 ( -14.188 -3.515 3.034) 14.929 25.984 ( -0.581 3.174 -6.617) 7.362 26.479 ( 3.328 0.846 -1.472) 3.736 26.865 ( -3.881 -7.128 1.191) 8.203 27.350 ( -3.913 -10.960 6.919) 13.539 28.390 ( -2.089 13.362 -2.826) 13.816 28.988 ( 3.085 7.522 -7.771) 11.246 29.043 ( 0.391 -3.119 2.385) 3.945 29.181 ( -2.933 7.203 0.245) 7.781 29.570 ( 0.215 0.038 -9.207) 9.209 30.001 ( -5.262 -6.447 -2.546) 8.702 30.259 ( 0.617 6.191 -4.526) 7.694 30.687 ( 3.885 12.579 5.718) 14.353 30.892 ( -1.499 -7.080 4.424) 8.482 31.307 ( -0.125 9.448 15.493) 18.147 31.461 ( 0.084 1.323 17.196) 17.247 31.757 ( 11.637 -7.494 1.376) 13.910 32.372 ( -2.347 -5.720 -11.288) 12.870 32.613 ( -2.731 -7.858 -7.881) 11.459 32.984 ( 9.340 7.823 -3.404) 12.650 33.081 ( 2.618 6.500 1.536) 7.174 33.450 ( -1.518 11.296 7.043) 13.398 34.149 ( 1.798 26.340 -6.659) 27.229 34.260 ( 5.933 -12.486 15.942) 21.101 36.546 ( 35.109 -50.841 -26.387) 67.184 ======================= Grid point 102 (50/136) ======================= q-point: ( 0.27 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 21.107 12.878 3.515) 24.974 3.056 ( 14.143 10.260 7.752) 19.115 3.469 ( 11.686 0.280 -1.415) 11.775 3.760 ( 5.522 2.374 -2.531) 6.522 3.935 ( 7.385 2.256 -3.009) 8.287 4.120 ( 2.053 -5.823 5.788) 8.463 4.256 ( 15.349 0.422 -2.988) 15.643 4.496 ( 7.054 -7.453 1.126) 10.324 4.709 ( 7.899 3.774 -0.818) 8.792 4.864 ( -7.735 -1.779 1.222) 8.031 5.267 ( -4.342 0.025 2.800) 5.166 5.333 ( -6.183 -5.084 0.707) 8.036 6.189 ( -8.896 1.365 1.767) 9.171 6.608 ( 1.827 1.731 -3.778) 4.539 7.098 ( -8.926 2.590 2.227) 9.557 7.600 ( -2.066 -2.874 8.247) 8.975 7.656 ( 1.184 -11.883 -14.265) 18.603 8.082 ( -5.791 -1.833 8.773) 10.671 8.454 ( 3.979 18.386 12.585) 22.633 8.780 ( 4.148 1.038 -0.028) 4.276 8.939 ( -0.083 0.811 6.186) 6.239 9.042 ( 3.034 10.720 4.842) 12.148 9.539 ( 6.253 -7.871 -0.487) 10.064 9.680 ( 7.154 -2.991 -6.158) 9.901 9.928 ( 2.145 -5.276 0.882) 5.764 10.238 ( -1.332 17.350 -5.166) 18.152 10.340 ( 3.098 0.750 1.533) 3.537 10.766 ( -0.593 5.452 -4.891) 7.349 11.113 ( -3.178 -10.846 7.601) 13.620 11.226 ( -2.998 -2.445 -12.414) 13.003 11.508 ( -5.743 10.276 -12.045) 16.842 11.698 ( -5.537 -0.636 -4.057) 6.894 12.049 ( 0.827 -3.716 2.801) 4.726 12.103 ( -2.965 -3.155 7.054) 8.277 12.422 ( -6.755 -20.126 -0.811) 21.245 12.635 ( -8.904 -16.660 -5.578) 19.697 13.291 ( 2.465 8.498 2.673) 9.243 13.662 ( -2.765 6.785 1.148) 7.416 13.900 ( -0.947 -1.460 -3.159) 3.607 14.166 ( 2.013 14.955 6.227) 16.325 14.449 ( -1.142 0.957 0.170) 1.500 14.716 ( -0.052 1.009 2.877) 3.050 15.187 ( -0.080 -3.029 -1.989) 3.624 15.329 ( 2.044 -10.358 4.140) 11.341 15.583 ( 1.085 5.950 -13.124) 14.450 16.012 ( -4.479 -14.976 7.321) 17.261 16.325 ( -1.835 9.441 2.863) 10.035 16.640 ( -7.504 -4.656 -11.501) 14.501 16.708 ( -2.569 2.511 0.513) 3.629 17.201 ( -2.207 -4.248 16.078) 16.775 18.062 ( 0.151 -3.650 10.904) 11.500 18.146 ( -0.651 4.359 -11.389) 12.212 18.493 ( -6.023 6.147 -12.331) 15.037 18.952 ( 3.468 -22.037 1.581) 22.364 19.502 ( 2.929 10.217 -18.763) 21.564 19.750 ( 1.040 5.160 -2.005) 5.633 19.970 ( 0.628 0.920 -7.111) 7.198 20.249 ( 0.879 6.057 -6.994) 9.293 20.449 ( 3.716 -8.714 -5.134) 10.775 20.615 ( 0.849 3.327 -1.626) 3.800 21.153 ( 5.912 4.566 21.449) 22.713 21.440 ( 1.484 5.731 10.038) 11.654 21.795 ( 4.003 -1.660 8.850) 9.854 22.181 ( -3.036 -3.950 4.559) 6.753 23.177 ( -2.135 0.291 -7.802) 8.094 23.331 ( -8.270 8.580 6.684) 13.663 23.509 ( -0.395 -11.095 3.364) 11.601 23.904 ( -15.242 -3.766 -0.797) 15.720 24.603 ( -1.256 5.149 2.249) 5.757 24.674 ( -5.245 2.219 2.080) 6.063 24.913 ( -1.570 -3.437 4.656) 5.996 25.147 ( -6.829 -5.130 2.296) 8.845 25.958 ( -1.686 5.576 -10.307) 11.839 26.531 ( 1.179 4.250 -2.281) 4.966 26.781 ( -3.794 -6.359 0.332) 7.412 27.276 ( -2.386 -8.505 10.507) 13.727 28.384 ( 1.463 10.178 -2.972) 10.704 29.015 ( -0.819 -2.359 -6.208) 6.691 29.066 ( 0.522 8.947 -3.943) 9.791 29.165 ( 2.509 1.321 3.206) 4.281 29.568 ( -0.471 -1.798 -9.413) 9.595 29.879 ( -5.446 -11.163 -8.502) 15.052 30.290 ( 1.759 8.234 0.466) 8.432 30.713 ( -2.093 7.552 11.519) 13.932 30.890 ( 1.488 1.043 4.360) 4.724 31.275 ( -3.682 10.332 10.770) 15.372 31.470 ( 0.696 0.544 11.096) 11.131 31.933 ( 4.278 -9.519 1.006) 10.484 32.315 ( -3.191 -0.871 -11.402) 11.872 32.517 ( -4.989 -4.906 -9.442) 11.752 33.052 ( -1.247 4.353 1.081) 4.655 33.214 ( 5.613 2.212 -2.724) 6.619 33.420 ( 1.282 11.848 8.836) 14.835 34.258 ( 10.017 22.490 0.536) 24.626 34.483 ( 12.633 -3.040 15.367) 20.124 37.105 ( 20.154 -48.436 -24.538) 57.917 ======================= Grid point 103 (51/136) ======================= q-point: ( 0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( 14.465 5.340 0.369) 15.423 3.296 ( 8.824 3.098 4.207) 10.254 3.706 ( 11.058 1.349 0.061) 11.140 3.884 ( 5.902 6.478 -1.515) 8.894 4.066 ( 5.123 -0.602 -4.651) 6.945 4.178 ( 3.218 -0.558 4.754) 5.768 4.432 ( 2.869 -1.716 -1.829) 3.811 4.602 ( 2.847 -7.983 4.286) 9.498 4.644 ( -8.628 -0.415 3.218) 9.218 4.933 ( 8.263 -4.816 -0.431) 9.573 5.176 ( -3.502 -3.687 -1.212) 5.228 5.244 ( -2.799 -3.743 0.742) 4.732 6.027 ( -6.096 3.406 2.807) 7.526 6.649 ( 0.211 7.868 -4.176) 8.911 6.898 ( -8.025 1.559 1.987) 8.413 7.562 ( -1.897 -13.070 1.379) 13.278 7.687 ( 1.178 -4.887 -4.712) 6.890 7.926 ( -6.340 11.782 9.839) 16.607 8.512 ( -0.445 4.428 14.005) 14.695 8.852 ( -4.192 4.166 0.532) 5.934 8.886 ( 3.821 5.475 7.931) 10.367 9.157 ( 7.172 17.580 5.089) 19.657 9.670 ( 5.173 -8.043 -5.851) 11.211 9.821 ( 5.461 -3.554 -6.399) 9.132 9.920 ( -2.959 -5.998 1.212) 6.797 10.232 ( 1.373 10.816 -8.543) 13.851 10.432 ( 5.471 3.544 4.131) 7.717 10.817 ( 4.253 5.859 -6.278) 9.583 11.080 ( 0.408 -15.039 6.853) 16.532 11.173 ( -1.563 3.264 -9.923) 10.563 11.418 ( -2.465 6.946 -11.723) 13.847 11.615 ( -2.463 -1.031 -3.918) 4.742 12.026 ( -4.703 -8.522 1.839) 9.906 12.050 ( -2.110 -2.088 10.259) 10.680 12.336 ( -0.094 -12.437 1.709) 12.554 12.463 ( -7.292 -19.825 -3.195) 21.364 13.328 ( 0.971 7.221 1.052) 7.361 13.610 ( -1.529 5.388 -1.799) 5.882 13.864 ( -2.188 -0.313 -2.331) 3.213 14.191 ( -0.122 12.169 8.069) 14.602 14.403 ( -3.061 1.218 0.778) 3.386 14.725 ( 0.567 -0.373 3.660) 3.722 15.162 ( -1.490 -1.022 -5.225) 5.528 15.355 ( 0.923 -12.370 -2.068) 12.575 15.648 ( 3.562 4.559 -6.297) 8.552 15.942 ( -1.861 -5.278 4.218) 7.008 16.261 ( -3.666 7.451 0.228) 8.308 16.523 ( -3.445 -5.909 -7.778) 10.358 16.655 ( -2.150 5.417 1.869) 6.120 17.127 ( -4.908 0.990 14.458) 15.300 18.044 ( -1.748 -2.808 6.623) 7.402 18.159 ( 1.818 1.254 -7.138) 7.472 18.419 ( -1.216 1.327 -9.887) 10.049 19.010 ( 2.142 -20.150 0.563) 20.272 19.557 ( 2.417 8.880 -21.657) 23.532 19.769 ( 0.887 3.484 -4.377) 5.664 19.975 ( -0.192 -0.251 -4.598) 4.609 20.263 ( 0.802 2.983 -5.798) 6.569 20.508 ( 1.885 -8.751 -8.087) 12.064 20.640 ( 2.054 4.943 0.849) 5.419 21.254 ( 2.044 4.667 20.564) 21.186 21.496 ( 3.724 5.819 12.040) 13.881 21.852 ( 1.350 0.960 3.612) 3.974 22.127 ( -2.355 -1.907 2.973) 4.246 23.137 ( -2.535 2.085 -0.338) 3.300 23.227 ( -0.648 2.807 5.715) 6.400 23.492 ( -1.310 -9.755 1.305) 9.929 23.609 ( -12.033 -2.961 0.098) 12.392 24.563 ( -3.649 3.599 -1.497) 5.339 24.601 ( -1.109 1.654 5.967) 6.291 24.894 ( -0.286 -4.426 6.583) 7.938 25.060 ( -1.881 -6.264 1.606) 6.735 25.911 ( -2.403 6.903 -13.577) 15.419 26.521 ( -1.787 7.846 -3.111) 8.627 26.720 ( -1.912 -7.625 0.046) 7.862 27.268 ( 1.031 -8.610 12.780) 15.444 28.428 ( 2.306 8.784 -3.127) 9.605 28.981 ( -2.010 0.268 -5.774) 6.119 29.069 ( 0.730 8.360 -3.186) 8.977 29.238 ( 2.974 -1.803 0.486) 3.512 29.540 ( -2.127 -2.870 -9.749) 10.383 29.791 ( -2.474 -10.219 -10.968) 15.193 30.326 ( 1.723 5.029 2.700) 5.963 30.633 ( -5.073 3.230 6.539) 8.884 30.930 ( 1.928 3.885 10.196) 11.080 31.169 ( -5.834 7.746 9.673) 13.697 31.497 ( 1.422 0.970 5.538) 5.800 31.948 ( -1.960 -10.632 2.245) 11.042 32.220 ( -5.032 8.513 -10.324) 14.296 32.451 ( -1.088 -2.225 -8.494) 8.848 33.015 ( -1.757 0.613 2.488) 3.107 33.179 ( -5.057 -3.261 -1.475) 6.196 33.580 ( 9.772 13.078 6.121) 17.436 34.508 ( 12.084 20.742 1.384) 24.045 34.732 ( 9.901 1.055 16.814) 19.541 37.412 ( 10.594 -43.527 -22.088) 49.947 ======================= Grid point 104 (52/136) ======================= q-point: ( 0.45 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 3.690 0.953 0.988) 3.937 3.431 ( 3.152 0.522 2.020) 3.780 3.904 ( 5.413 5.115 -0.025) 7.448 3.974 ( 3.166 5.695 -1.836) 6.770 4.161 ( 4.724 -1.082 -5.003) 6.966 4.219 ( -0.439 3.905 0.859) 4.022 4.431 ( -1.106 -3.352 0.618) 3.583 4.491 ( -5.599 1.285 6.386) 8.589 4.648 ( 1.740 -8.866 6.176) 10.944 5.047 ( 1.629 -8.533 -1.033) 8.748 5.140 ( 1.272 -5.092 -0.574) 5.280 5.221 ( 0.111 -5.640 -0.624) 5.676 5.948 ( -1.651 3.108 4.373) 5.613 6.551 ( -6.446 16.538 -6.743) 18.988 6.845 ( 0.591 -6.020 -0.764) 6.097 7.508 ( -3.252 -12.232 -5.774) 13.912 7.682 ( -0.503 2.038 14.066) 14.222 7.899 ( 2.784 6.794 0.833) 7.389 8.465 ( -3.200 3.762 12.864) 13.779 8.734 ( -5.303 6.625 10.547) 13.537 8.990 ( 4.151 7.256 0.719) 8.390 9.319 ( 7.623 19.035 3.558) 20.811 9.729 ( 0.391 -5.023 -4.592) 6.817 9.831 ( -4.992 -7.588 -3.728) 9.818 9.893 ( 1.831 -4.288 -3.808) 6.021 10.254 ( 0.028 5.225 -8.227) 9.746 10.543 ( 4.339 6.290 5.082) 9.177 10.907 ( 4.271 1.070 -3.042) 5.351 11.105 ( 0.170 -2.456 -2.955) 3.846 11.195 ( 4.553 -4.506 -0.164) 6.408 11.379 ( -1.401 7.643 -12.036) 14.327 11.600 ( 1.417 -2.792 -3.226) 4.495 11.873 ( -7.809 -6.363 3.486) 10.659 12.040 ( 0.211 -4.229 5.248) 6.743 12.337 ( -4.595 -19.268 1.410) 19.859 12.394 ( 4.650 -9.589 4.768) 11.675 13.326 ( -1.234 5.670 -1.538) 6.003 13.611 ( 1.452 2.777 -2.767) 4.181 13.819 ( -1.812 0.520 -1.844) 2.637 14.155 ( -3.540 10.289 5.964) 12.409 14.332 ( -3.579 1.177 1.141) 3.937 14.734 ( 0.239 -1.998 4.897) 5.295 15.147 ( 0.604 -0.358 -6.420) 6.459 15.371 ( 0.496 -15.005 -6.259) 16.265 15.668 ( -1.969 1.774 -2.204) 3.447 15.956 ( 3.014 4.252 0.299) 5.220 16.198 ( -2.129 9.466 3.139) 10.198 16.484 ( -0.341 -7.309 -4.922) 8.819 16.641 ( 1.190 5.643 -0.048) 5.768 17.023 ( -4.828 4.477 11.967) 13.659 18.007 ( -1.683 -1.003 4.227) 4.659 18.210 ( 3.222 1.000 -7.034) 7.801 18.410 ( -0.100 -5.973 -2.712) 6.561 19.044 ( 1.152 -17.674 -1.977) 17.821 19.586 ( 0.864 8.268 -24.542) 25.912 19.788 ( 1.187 2.382 -4.509) 5.236 19.954 ( -1.793 -0.483 -4.150) 4.547 20.285 ( 1.244 -0.548 -0.309) 1.394 20.534 ( 1.367 -4.109 -10.583) 11.435 20.693 ( 2.332 -0.300 -0.251) 2.364 21.242 ( -2.881 8.663 16.963) 19.264 21.561 ( 0.839 4.282 14.121) 14.780 21.862 ( -0.120 3.074 0.456) 3.110 22.079 ( -2.286 -0.844 1.006) 2.636 23.082 ( -1.974 2.728 6.428) 7.257 23.293 ( 5.296 -2.812 5.431) 8.091 23.426 ( -4.340 -5.977 1.141) 7.474 23.473 ( -0.649 -3.748 1.405) 4.055 24.480 ( -3.870 3.493 -2.475) 5.771 24.603 ( 0.985 1.188 6.266) 6.454 24.898 ( 0.432 -3.952 8.011) 8.943 25.059 ( 1.339 -6.702 1.769) 7.060 25.860 ( -1.992 7.647 -16.225) 18.047 26.470 ( -2.734 10.254 -2.628) 10.933 26.707 ( 0.731 -10.459 -0.815) 10.516 27.298 ( 0.997 -9.232 13.911) 16.725 28.461 ( 0.607 9.423 -3.835) 10.191 28.942 ( -1.379 1.260 -5.672) 5.972 29.096 ( 1.438 8.664 -4.098) 9.691 29.266 ( -0.079 -4.213 -0.118) 4.215 29.479 ( -3.331 -2.865 -10.086) 11.001 29.781 ( 1.679 -8.098 -11.283) 13.989 30.365 ( 1.999 1.997 4.095) 4.975 30.519 ( -5.629 3.192 1.769) 6.709 30.983 ( 3.234 1.910 12.929) 13.464 31.073 ( -3.036 4.998 10.694) 12.189 31.526 ( 1.483 1.276 2.705) 3.338 31.873 ( -5.163 -7.829 1.142) 9.447 32.158 ( 0.250 11.820 -7.065) 13.772 32.446 ( 0.434 0.340 -7.694) 7.714 32.992 ( -0.415 -2.732 1.914) 3.362 33.088 ( -2.997 -4.782 -0.321) 5.653 33.736 ( 4.326 12.534 5.062) 14.193 34.702 ( 5.686 22.297 0.264) 23.012 34.871 ( 2.547 0.467 18.187) 18.370 37.553 ( 3.559 -40.613 -20.666) 45.707 ======================= Grid point 105 (53/136) ======================= q-point: (-0.45 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( -5.355 0.560 0.658) 5.425 3.425 ( -1.391 -0.821 2.489) 2.967 3.900 ( -3.294 8.712 -1.720) 9.472 3.975 ( -5.410 2.393 -0.402) 5.929 4.147 ( -5.744 3.152 -3.049) 7.227 4.259 ( 3.001 6.113 -3.302) 7.569 4.400 ( -2.627 -0.503 6.217) 6.768 4.459 ( 3.732 -3.878 2.062) 5.764 4.676 ( 0.725 -8.712 6.861) 11.113 5.065 ( 1.825 -6.988 -1.497) 7.376 5.198 ( -1.446 -4.042 1.230) 4.466 5.201 ( 1.736 -10.043 -0.440) 10.202 5.964 ( 3.356 2.581 5.729) 7.124 6.483 ( 0.299 15.597 -7.541) 17.327 6.843 ( -0.874 -9.325 -4.679) 10.469 7.462 ( -0.177 0.743 -0.019) 0.764 7.703 ( 2.021 -5.810 10.354) 12.044 7.979 ( 4.131 2.804 1.545) 5.226 8.406 ( -2.712 7.634 9.625) 12.581 8.668 ( -0.676 9.514 10.720) 14.348 9.047 ( 1.257 4.840 3.067) 5.866 9.421 ( 0.478 15.206 6.332) 16.479 9.687 ( -5.523 -4.094 -12.655) 14.402 9.730 ( -1.929 -5.486 -0.220) 5.819 9.925 ( 1.314 -5.431 -1.862) 5.890 10.212 ( -3.952 2.153 -8.068) 9.238 10.596 ( 0.622 6.648 4.541) 8.075 10.984 ( 2.202 -2.478 1.432) 3.611 11.085 ( -0.859 2.070 -3.664) 4.295 11.289 ( 2.098 0.371 -12.721) 12.898 11.380 ( 3.360 5.477 2.731) 6.982 11.673 ( 4.911 -7.327 -5.733) 10.520 11.742 ( -3.853 0.167 2.994) 4.882 12.061 ( 1.845 -3.620 5.806) 7.087 12.281 ( -0.667 -18.792 4.161) 19.258 12.516 ( 6.734 -10.396 4.415) 13.150 13.279 ( -3.037 4.293 -2.922) 6.016 13.651 ( 1.864 -0.607 -4.647) 5.044 13.789 ( -1.161 0.017 -1.797) 2.139 14.062 ( -4.851 10.794 4.084) 12.519 14.265 ( -2.488 1.404 -0.382) 2.882 14.740 ( 0.255 -1.775 4.203) 4.570 15.186 ( 2.903 -0.145 -4.518) 5.373 15.373 ( 0.127 -20.716 -6.732) 21.783 15.581 ( -5.850 9.405 -4.658) 12.016 16.038 ( 4.085 2.795 0.406) 4.967 16.177 ( 0.058 12.614 5.948) 13.946 16.504 ( 2.212 -2.526 0.133) 3.360 16.707 ( 4.925 -1.423 -4.269) 6.671 16.947 ( -2.475 4.569 9.778) 11.073 17.981 ( -0.818 0.491 2.883) 3.037 18.285 ( 3.873 1.787 -7.396) 8.538 18.405 ( -0.212 -12.266 3.524) 12.764 19.054 ( -0.189 -13.487 -5.798) 14.682 19.589 ( 0.175 8.464 -25.189) 26.573 19.817 ( 1.462 2.481 -1.162) 3.105 19.904 ( -2.527 -0.925 -4.915) 5.604 20.303 ( 0.206 -0.349 3.936) 3.957 20.578 ( 3.212 -3.951 -13.689) 14.605 20.706 ( -1.718 -5.828 -2.194) 6.460 21.174 ( -3.310 15.555 17.063) 23.325 21.524 ( -3.819 2.986 10.733) 11.777 21.835 ( -3.164 2.690 1.627) 4.461 22.039 ( -1.294 -1.663 0.747) 2.235 23.074 ( 1.144 3.599 6.404) 7.435 23.376 ( 0.694 -4.908 -0.451) 4.977 23.391 ( 1.871 -6.834 6.175) 9.398 23.557 ( 8.969 -2.360 6.115) 11.108 24.413 ( -2.252 4.332 -2.469) 5.471 24.642 ( 2.549 1.990 6.335) 7.113 24.918 ( 1.389 -3.354 8.030) 8.812 25.097 ( 1.936 -6.373 3.519) 7.533 25.827 ( -0.821 8.209 -18.375) 20.143 26.414 ( -2.546 10.427 -4.358) 11.584 26.749 ( 3.231 -13.437 0.374) 13.825 27.306 ( -0.507 -9.586 14.549) 17.430 28.450 ( -1.438 10.762 -4.296) 11.676 28.927 ( 0.131 0.824 -5.054) 5.122 29.088 ( -2.694 3.596 -8.048) 9.217 29.270 ( 0.997 -1.593 0.413) 1.924 29.404 ( -3.292 -1.215 -10.079) 10.672 29.841 ( 3.753 -6.249 -8.798) 11.426 30.398 ( -1.419 4.381 1.416) 4.818 30.427 ( -0.476 2.387 3.022) 3.881 31.051 ( 0.432 3.496 12.179) 12.678 31.079 ( 5.634 0.085 12.768) 13.956 31.572 ( 2.706 1.117 3.159) 4.307 31.752 ( -5.634 -3.171 -2.591) 6.965 32.227 ( 6.142 8.165 -4.569) 11.193 32.463 ( 1.394 2.567 -7.206) 7.775 32.989 ( -0.217 -4.391 2.229) 4.929 33.071 ( 1.509 -4.522 -0.882) 4.848 33.749 ( -3.170 11.814 4.829) 13.151 34.732 ( -2.736 22.710 -0.102) 22.874 34.832 ( -6.834 0.211 18.616) 19.832 37.556 ( -2.833 -40.525 -20.498) 45.502 ======================= Grid point 106 (54/136) ======================= q-point: (-0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( -12.490 3.736 2.034) 13.195 3.344 ( -6.930 -0.908 3.849) 7.979 3.726 ( -13.934 7.644 1.978) 16.016 3.856 ( -3.861 4.740 -3.900) 7.252 3.999 ( -7.583 1.384 -4.332) 8.842 4.189 ( -7.626 3.219 0.917) 8.328 4.427 ( 1.385 0.282 0.584) 1.529 4.544 ( 3.010 -0.829 2.546) 4.029 4.701 ( 3.102 -6.505 4.228) 8.355 5.040 ( -6.968 -11.174 3.025) 13.512 5.205 ( 5.132 -1.884 1.011) 5.560 5.232 ( -0.055 -2.319 -1.207) 2.614 6.080 ( 7.077 0.630 5.678) 9.095 6.537 ( 4.776 10.210 -4.665) 12.199 6.820 ( -0.846 -10.052 -7.898) 12.811 7.514 ( 4.881 7.372 5.063) 10.189 7.754 ( 2.284 -14.533 2.107) 14.861 8.061 ( 3.580 6.313 6.222) 9.560 8.358 ( -1.848 6.794 8.033) 10.682 8.711 ( 3.930 14.199 6.566) 16.129 9.047 ( -1.157 -3.663 5.624) 6.811 9.359 ( -4.635 5.665 13.243) 15.131 9.515 ( -9.087 -3.901 -14.406) 17.474 9.726 ( -1.652 -1.252 -3.661) 4.207 9.918 ( -2.692 -2.409 -1.995) 4.127 10.100 ( -5.610 0.814 -7.475) 9.381 10.581 ( -1.931 6.043 2.920) 6.984 10.962 ( -2.393 2.820 0.163) 3.702 11.120 ( 2.843 -4.367 0.417) 5.227 11.306 ( 1.468 10.625 -13.500) 17.242 11.499 ( 6.758 -0.390 4.855) 8.330 11.683 ( 0.575 -2.864 -0.721) 3.009 11.827 ( 7.647 0.248 -2.661) 8.100 12.112 ( 2.404 1.503 10.323) 10.706 12.327 ( 5.464 -22.278 1.618) 22.996 12.662 ( 6.817 -12.451 2.308) 14.381 13.208 ( -3.440 2.676 -2.827) 5.195 13.650 ( -2.693 -1.617 -8.204) 8.784 13.765 ( -1.040 -2.175 -3.962) 4.638 13.997 ( -0.311 12.788 5.649) 13.984 14.241 ( 0.158 1.561 -2.395) 2.863 14.745 ( 0.109 -0.459 2.063) 2.116 15.232 ( -0.122 1.092 0.824) 1.374 15.364 ( -2.823 -19.502 1.024) 19.732 15.480 ( 0.171 9.970 -16.635) 19.395 16.106 ( 2.187 -3.496 2.157) 4.654 16.199 ( 1.616 14.791 5.992) 16.040 16.566 ( 3.306 3.666 4.972) 7.007 16.822 ( 5.572 -7.108 -7.403) 11.678 16.935 ( 1.351 0.214 7.870) 7.988 17.972 ( -0.237 1.715 1.750) 2.462 18.344 ( 1.277 -9.141 3.746) 9.961 18.430 ( 3.272 -4.167 -3.587) 6.398 19.038 ( -0.945 -7.469 -9.772) 12.336 19.590 ( 0.574 9.570 -21.534) 23.572 19.818 ( -2.104 5.306 2.099) 6.082 19.879 ( 0.930 -4.216 -5.321) 6.852 20.294 ( -1.028 0.975 3.800) 4.056 20.608 ( -6.917 -7.506 -5.745) 11.713 20.655 ( 3.655 -5.612 -9.944) 11.989 21.126 ( -1.759 17.333 15.741) 23.479 21.435 ( -4.821 2.915 6.935) 8.935 21.738 ( -5.234 2.152 5.328) 7.773 22.028 ( 0.154 -2.562 1.628) 3.040 23.123 ( 3.052 5.158 4.572) 7.539 23.364 ( -0.071 -3.960 -4.435) 5.946 23.501 ( 7.167 -6.696 10.111) 14.086 23.781 ( 11.326 -5.865 6.577) 14.350 24.397 ( 1.034 7.295 -1.088) 7.448 24.707 ( 3.492 3.299 6.281) 7.908 24.956 ( 1.801 -2.095 5.828) 6.450 25.136 ( 1.956 -6.109 6.521) 9.147 25.819 ( 0.489 7.615 -18.974) 20.451 26.360 ( -2.569 8.504 -8.092) 12.017 26.837 ( 5.034 -15.910 3.529) 17.056 27.297 ( -0.217 -8.884 14.278) 16.817 28.410 ( -1.966 11.931 -3.780) 12.669 28.942 ( 1.230 -0.027 -5.186) 5.330 28.995 ( -5.555 -2.612 -11.325) 12.881 29.263 ( -2.265 -1.696 -0.582) 2.889 29.382 ( 1.891 5.531 -8.545) 10.353 29.914 ( 3.182 -4.586 -5.455) 7.805 30.339 ( -2.439 9.094 -2.530) 9.749 30.470 ( 2.459 2.504 6.919) 7.758 31.078 ( 1.506 3.673 12.259) 12.886 31.215 ( 6.683 -1.143 12.167) 13.928 31.568 ( -4.830 1.232 7.066) 8.647 31.707 ( 2.335 -4.452 -7.491) 9.021 32.403 ( 10.763 4.114 -3.900) 12.164 32.500 ( 2.186 5.408 -6.743) 8.916 32.982 ( -0.696 -4.052 3.233) 5.230 33.134 ( 3.960 -2.661 -2.933) 5.600 33.620 ( -8.567 10.399 4.737) 14.282 34.600 ( -14.964 -9.732 24.304) 30.155 34.610 ( -8.508 31.712 -5.666) 33.318 37.422 ( -9.752 -43.206 -21.527) 49.247 ======================= Grid point 107 (55/136) ======================= q-point: (-0.27 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -18.237 9.669 6.116) 21.528 3.094 ( -17.912 8.147 8.250) 21.337 3.440 ( -11.560 3.865 -2.046) 12.359 3.759 ( -5.304 2.883 -3.692) 7.076 3.882 ( -3.096 -0.995 -5.234) 6.162 4.007 ( -9.281 -0.279 1.616) 9.425 4.384 ( -5.248 -2.279 -1.437) 5.899 4.515 ( -6.737 -1.457 7.699) 10.334 4.755 ( -14.587 2.792 0.668) 14.867 4.877 ( 8.132 0.156 -0.394) 8.143 5.222 ( 0.424 -1.420 1.992) 2.483 5.354 ( 7.583 -1.740 1.385) 7.903 6.239 ( 7.462 -2.729 4.177) 8.976 6.692 ( 10.091 3.208 1.526) 10.698 6.803 ( -0.695 -6.711 -13.164) 14.792 7.645 ( 6.989 6.938 6.413) 11.752 7.783 ( 0.346 -20.536 -2.700) 20.715 8.120 ( 1.374 15.911 7.763) 17.757 8.330 ( -1.604 -3.480 11.238) 11.874 8.788 ( 2.263 12.865 -3.977) 13.655 9.020 ( -0.741 -10.774 7.684) 13.254 9.278 ( -3.649 3.169 18.093) 18.728 9.339 ( -7.121 -9.594 -7.932) 14.341 9.613 ( -7.607 -0.922 -8.059) 11.120 9.809 ( -6.377 7.675 -5.299) 11.298 10.025 ( -1.688 -1.061 -2.651) 3.317 10.517 ( -4.274 7.063 -0.225) 8.258 10.948 ( 1.426 6.697 -0.302) 6.853 11.160 ( 0.883 -3.942 -1.627) 4.355 11.356 ( 3.151 8.458 -6.731) 11.259 11.640 ( 6.757 0.960 3.124) 7.506 11.758 ( 5.819 -1.045 -1.098) 6.013 12.015 ( 10.326 0.360 -1.627) 10.460 12.163 ( 3.092 4.995 11.853) 13.229 12.496 ( 9.739 -22.366 -0.034) 24.395 12.779 ( 3.713 -14.399 -0.994) 14.903 13.148 ( -1.968 0.972 -1.322) 2.562 13.541 ( -6.623 2.253 -8.906) 11.325 13.751 ( -0.047 -5.356 -8.837) 10.334 14.054 ( 4.833 12.400 7.458) 15.255 14.257 ( 0.896 2.602 -3.455) 4.417 14.745 ( -0.056 0.424 0.101) 0.439 15.116 ( -9.075 6.737 4.088) 12.019 15.324 ( -0.249 -9.787 -4.073) 10.604 15.591 ( 8.579 -4.992 -12.023) 15.591 16.126 ( -0.310 -9.443 2.291) 9.721 16.236 ( 1.643 14.093 6.612) 15.653 16.631 ( 2.623 6.400 6.162) 9.263 16.908 ( 2.658 -7.182 -6.876) 10.292 17.011 ( 5.414 -5.254 5.148) 9.133 17.966 ( -0.550 2.967 -0.224) 3.026 18.366 ( 1.369 -20.468 15.784) 25.884 18.513 ( 3.972 7.109 -14.032) 16.224 19.027 ( 0.577 -2.097 -10.712) 10.930 19.604 ( 1.016 11.259 -15.479) 19.168 19.765 ( -2.476 4.121 0.991) 4.908 19.906 ( 1.234 -4.306 -2.884) 5.327 20.261 ( -2.496 3.434 2.088) 4.731 20.436 ( -8.433 -8.292 -2.611) 12.112 20.715 ( 1.866 -7.148 -8.942) 11.599 21.092 ( -2.379 15.655 11.080) 19.326 21.330 ( -4.695 1.294 2.653) 5.546 21.659 ( -2.211 5.219 12.565) 13.784 22.050 ( 2.103 -4.220 2.623) 5.395 23.185 ( 2.515 4.558 1.414) 5.395 23.383 ( 1.991 -2.438 -3.757) 4.901 23.681 ( 9.622 -5.807 12.684) 16.946 24.003 ( 9.383 -7.497 3.665) 12.557 24.466 ( 5.786 11.436 0.022) 12.817 24.790 ( 4.378 4.387 6.091) 8.690 24.983 ( 0.661 0.694 0.465) 1.066 25.200 ( 4.503 -6.728 10.286) 13.090 25.838 ( 1.767 5.284 -16.719) 17.623 26.307 ( -2.121 4.813 -10.422) 11.674 26.945 ( 4.707 -16.685 7.092) 18.731 27.319 ( 2.307 -8.157 11.494) 14.282 28.381 ( -0.433 13.183 -2.703) 13.464 28.859 ( -6.738 -2.819 -16.096) 17.676 28.972 ( 1.454 -0.708 -2.067) 2.624 29.228 ( -0.235 -1.854 -0.486) 1.931 29.435 ( 2.722 9.625 -8.433) 13.083 29.968 ( 2.152 -2.327 -2.902) 4.298 30.293 ( -2.101 12.963 -3.380) 13.560 30.516 ( 1.675 3.097 7.491) 8.277 31.102 ( 0.016 3.676 9.730) 10.401 31.337 ( 4.196 -1.859 12.793) 13.591 31.443 ( -6.413 -1.705 7.130) 9.740 31.745 ( 0.014 -7.017 -5.432) 8.874 32.542 ( 1.827 7.879 -6.549) 10.407 32.655 ( 12.404 0.736 -1.152) 12.479 32.940 ( -4.168 -0.468 2.584) 4.926 33.204 ( 2.128 -0.746 -7.100) 7.449 33.448 ( -6.367 8.838 6.552) 12.712 34.232 ( -19.197 3.760 12.954) 23.462 34.448 ( -6.080 15.412 3.751) 16.987 37.123 ( -19.131 -47.778 -23.461) 56.561 ======================= Grid point 108 (56/136) ======================= q-point: (-0.18 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -22.063 16.505 9.461) 29.132 2.660 ( -21.733 21.276 11.971) 32.685 3.246 ( -7.696 -3.379 -3.584) 9.137 3.670 ( -3.181 0.462 -4.354) 5.412 3.822 ( -6.787 -1.999 -4.017) 8.136 3.837 ( -2.977 -0.570 -2.137) 3.709 4.109 ( -25.241 22.688 14.280) 36.821 4.264 ( -8.137 -0.755 0.665) 8.199 4.561 ( -3.751 -3.549 -1.997) 5.537 5.088 ( 9.541 0.375 -5.337) 10.939 5.243 ( 1.345 -2.820 4.561) 5.529 5.502 ( 6.347 -0.469 2.529) 6.848 6.369 ( 4.733 -5.942 1.215) 7.693 6.746 ( -3.012 -5.261 -11.373) 12.888 6.964 ( 13.345 1.683 0.714) 13.470 7.765 ( -0.446 -12.052 3.546) 12.571 7.791 ( 4.959 -8.690 -2.485) 10.310 8.088 ( -4.846 20.926 3.665) 21.790 8.279 ( -3.438 -15.715 11.702) 19.893 8.787 ( -1.956 -0.783 -2.508) 3.276 9.007 ( -2.788 -5.047 -2.468) 6.272 9.186 ( -7.563 -9.811 -3.367) 12.837 9.230 ( -0.198 -3.430 21.823) 22.092 9.512 ( -0.720 -0.506 -5.273) 5.346 9.729 ( 0.214 19.229 -6.157) 20.192 10.002 ( -0.543 -0.495 4.704) 4.761 10.414 ( -5.293 11.500 -2.371) 12.880 11.002 ( 2.927 4.040 -3.778) 6.258 11.166 ( 0.169 3.767 -1.505) 4.060 11.422 ( 3.325 3.160 -2.574) 5.260 11.776 ( 4.635 5.432 5.928) 9.281 11.896 ( 8.253 -0.679 -3.289) 8.910 12.143 ( 1.925 6.344 -0.016) 6.629 12.352 ( 13.272 -8.125 5.144) 16.389 12.698 ( 9.355 -10.699 2.492) 14.429 12.784 ( -3.613 -16.782 -5.588) 18.053 13.138 ( 1.168 -3.447 -0.233) 3.647 13.406 ( -5.444 5.505 -7.240) 10.600 13.765 ( 1.710 -5.136 -10.515) 11.826 14.170 ( 4.721 8.549 4.232) 10.644 14.255 ( -0.641 7.881 -0.552) 7.926 14.748 ( 0.428 0.705 -0.814) 1.159 14.946 ( -6.276 5.176 3.072) 8.695 15.319 ( -0.262 -10.823 -4.092) 11.573 15.788 ( 9.818 -6.218 -8.058) 14.141 16.090 ( -3.334 -15.374 4.076) 16.251 16.269 ( 1.630 12.811 5.519) 14.045 16.681 ( 2.381 5.456 4.753) 7.618 16.926 ( -0.815 -7.802 -8.300) 11.420 17.137 ( 6.042 -3.898 5.577) 9.099 17.946 ( -1.282 3.674 -1.678) 4.237 18.418 ( 2.946 -20.449 20.897) 29.386 18.570 ( 1.930 8.435 -21.258) 22.951 19.070 ( 3.683 0.585 -7.176) 8.087 19.612 ( -0.323 12.165 -10.515) 16.083 19.725 ( -1.328 3.555 1.567) 4.106 19.920 ( -0.101 -4.629 -4.821) 6.685 20.173 ( -5.650 5.130 0.251) 7.636 20.298 ( -4.302 -8.137 -0.020) 9.205 20.722 ( -1.189 -4.774 -5.522) 7.396 21.026 ( -2.976 8.707 0.771) 9.234 21.278 ( -0.475 0.716 8.090) 8.136 21.636 ( -0.925 7.263 14.762) 16.478 22.121 ( 4.510 -4.596 4.813) 8.039 23.222 ( 1.052 1.895 -1.812) 2.826 23.440 ( 3.322 -2.389 -0.455) 4.117 23.898 ( 10.723 -2.685 16.279) 19.678 24.153 ( 4.487 -4.984 1.465) 6.864 24.627 ( 8.960 13.630 -2.701) 16.534 24.879 ( 3.119 4.911 2.890) 6.496 25.009 ( 2.808 2.530 -1.531) 4.077 25.351 ( 10.795 -6.657 11.410) 17.060 25.885 ( 3.071 2.487 -12.154) 12.780 26.281 ( 0.146 0.699 -9.926) 9.951 27.014 ( 1.446 -14.521 9.407) 17.363 27.386 ( 2.889 -11.368 6.263) 13.297 28.397 ( 1.634 13.633 -1.912) 13.863 28.745 ( -2.078 2.722 -15.011) 15.396 29.002 ( 1.540 -0.818 -0.721) 1.887 29.253 ( 2.097 -0.692 -0.843) 2.364 29.489 ( 2.932 13.324 -8.866) 16.271 29.999 ( 0.703 1.666 -0.474) 1.869 30.248 ( -2.117 15.081 -3.997) 15.744 30.548 ( 1.709 1.333 5.367) 5.788 31.057 ( -4.785 1.615 3.335) 6.052 31.315 ( -6.209 -7.888 8.752) 13.318 31.390 ( 1.019 -1.723 16.564) 16.684 31.695 ( -3.926 -6.652 0.043) 7.724 32.560 ( -0.347 4.671 -4.329) 6.378 32.751 ( -9.130 -1.714 -0.171) 9.291 32.899 ( 5.381 6.853 -0.829) 8.752 33.203 ( -2.287 2.523 -4.532) 5.669 33.396 ( 0.301 7.144 7.999) 10.729 33.897 ( -10.002 2.881 -0.244) 10.411 34.393 ( 0.522 10.449 6.804) 12.480 36.576 ( -33.997 -50.041 -24.781) 65.376 ======================= Grid point 109 (57/136) ======================= q-point: (-0.09 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -18.071 25.173 10.923) 32.856 2.270 ( -14.807 31.286 16.494) 38.341 3.111 ( -5.328 -6.953 -3.348) 9.378 3.522 ( -14.233 24.282 8.747) 29.473 3.679 ( -8.861 9.705 3.740) 13.664 3.725 ( -4.033 5.611 -5.875) 9.070 3.809 ( 1.327 5.979 -2.764) 6.720 4.144 ( -3.124 -5.010 -0.411) 5.919 4.499 ( -2.733 -7.756 0.851) 8.267 5.226 ( 3.074 4.489 -7.876) 9.572 5.291 ( 3.506 -9.723 6.294) 12.102 5.615 ( 4.428 0.105 2.423) 5.049 6.438 ( 2.043 -7.049 -0.846) 7.388 6.669 ( -3.639 -1.769 -13.928) 14.504 7.195 ( 6.887 -0.992 7.062) 9.913 7.721 ( -2.816 -14.672 -0.979) 14.972 7.865 ( 0.334 -10.680 -4.225) 11.490 7.989 ( -1.842 6.443 -1.763) 6.929 8.196 ( -4.289 -8.288 6.970) 11.648 8.726 ( -3.257 -4.838 1.517) 6.027 8.886 ( -6.651 -5.994 -2.150) 9.208 9.041 ( -6.070 -16.180 0.489) 17.288 9.302 ( 5.422 3.404 12.219) 13.795 9.554 ( 3.734 -0.840 0.170) 3.832 9.797 ( 4.120 22.662 -5.853) 23.765 10.025 ( 3.363 5.342 15.689) 16.911 10.298 ( -5.731 17.637 -3.413) 18.857 11.038 ( 0.470 -6.391 -4.615) 7.897 11.186 ( 1.922 15.469 0.638) 15.601 11.491 ( 3.011 1.440 -1.829) 3.806 11.803 ( -1.675 4.483 1.563) 5.035 12.099 ( 10.394 3.574 -1.583) 11.104 12.157 ( -0.555 7.033 -2.296) 7.420 12.524 ( -3.153 -10.334 -0.005) 10.805 12.648 ( -2.220 -27.916 -4.960) 28.440 12.922 ( 10.013 4.612 2.896) 11.399 13.155 ( -0.768 -6.981 -8.292) 10.866 13.357 ( 2.091 5.091 2.811) 6.180 13.822 ( 3.858 0.112 -6.219) 7.319 14.129 ( -5.836 5.794 -7.040) 10.825 14.319 ( 3.875 10.528 8.133) 13.856 14.766 ( 1.514 1.940 -0.658) 2.547 14.877 ( -0.520 -2.111 2.469) 3.290 15.317 ( 0.368 -11.694 -3.617) 12.246 15.936 ( -0.023 -4.312 -6.752) 8.012 16.009 ( -0.485 -18.267 7.315) 19.684 16.319 ( 3.038 9.373 4.827) 10.972 16.738 ( 2.566 3.005 -0.112) 3.953 16.893 ( -1.050 -4.991 -4.665) 6.912 17.239 ( 3.013 -3.115 2.171) 4.846 17.921 ( -0.692 3.839 1.173) 4.074 18.462 ( -0.348 -5.489 10.558) 11.905 18.608 ( 3.123 -6.684 -15.014) 16.729 19.149 ( 2.807 0.570 -4.001) 4.920 19.580 ( -2.622 11.049 -9.106) 14.556 19.712 ( 0.268 4.037 2.804) 4.922 19.888 ( -2.476 -0.046 -9.321) 9.645 20.090 ( -1.315 -1.476 1.738) 2.632 20.235 ( -2.206 -3.195 2.159) 4.443 20.658 ( -4.353 3.727 -6.740) 8.847 21.021 ( 2.284 -3.507 -3.855) 5.690 21.289 ( 1.028 0.271 15.448) 15.485 21.611 ( -1.881 6.813 12.681) 14.517 22.226 ( 4.879 -3.507 6.449) 8.815 23.237 ( 0.712 -0.034 -3.469) 3.542 23.507 ( 2.662 -4.287 4.260) 6.604 24.112 ( 7.803 -1.320 14.635) 16.638 24.178 ( -1.140 -1.586 4.567) 4.968 24.798 ( 6.566 12.854 -6.844) 15.974 24.911 ( 0.549 6.026 -4.216) 7.374 25.080 ( 2.657 2.778 2.170) 4.414 25.682 ( 18.607 -8.307 8.486) 22.074 25.961 ( 4.422 0.229 -6.698) 8.029 26.314 ( 3.193 -2.692 -9.053) 9.970 27.013 ( -1.429 -12.196 9.001) 15.225 27.389 ( -3.136 -15.621 1.749) 16.028 28.407 ( -0.563 10.919 -1.944) 11.105 28.836 ( 9.491 4.381 -14.122) 17.570 29.046 ( 2.986 4.595 2.994) 6.244 29.293 ( 1.491 1.558 -2.533) 3.327 29.577 ( 6.223 17.556 -5.787) 19.505 30.004 ( 0.373 4.674 3.178) 5.665 30.203 ( -1.477 15.440 -8.229) 17.559 30.596 ( 1.542 -1.431 -1.186) 2.415 30.953 ( -1.954 -3.536 1.307) 4.246 31.169 ( -7.957 -11.533 5.998) 15.242 31.418 ( 1.852 -1.294 19.397) 19.528 31.637 ( -0.859 -5.433 10.704) 12.035 32.455 ( -10.136 0.144 3.165) 10.620 32.602 ( -1.539 -1.157 -7.321) 7.570 32.912 ( -4.861 7.285 0.400) 8.767 33.162 ( 1.379 2.829 -3.339) 4.589 33.399 ( -1.930 4.693 6.930) 8.590 33.863 ( 4.374 -1.147 -12.706) 13.487 34.433 ( 1.911 9.090 8.221) 12.404 35.697 ( -46.890 -34.305 -19.557) 61.302 ======================= Grid point 110 (58/136) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 1.322 23.699 6.552) 24.623 2.814 ( 3.307 2.754 2.608) 5.032 2.833 ( -2.245 14.422 8.216) 16.749 3.364 ( 0.727 -17.799 3.297) 18.116 3.691 ( -0.668 1.571 -7.233) 7.432 3.748 ( 0.343 -4.463 -6.014) 7.496 4.071 ( -4.162 12.369 0.320) 13.055 4.266 ( -4.096 -5.586 -1.506) 7.089 4.475 ( 5.604 29.227 7.095) 30.594 5.017 ( 1.417 -20.111 3.217) 20.416 5.361 ( -2.017 7.042 -2.453) 7.725 5.545 ( -1.544 -9.734 -0.675) 9.879 6.493 ( 1.702 6.891 -3.699) 8.005 6.603 ( -0.499 -1.281 -13.630) 13.699 7.185 ( 0.222 -3.359 6.382) 7.215 7.318 ( -0.755 -16.527 -2.926) 16.801 7.708 ( -0.681 1.641 2.412) 2.996 7.801 ( -1.279 -5.419 3.154) 6.399 8.342 ( 1.743 8.959 4.831) 10.327 8.536 ( 0.190 -8.735 5.482) 10.314 8.718 ( -1.236 -0.703 -2.952) 3.277 8.765 ( -0.345 -5.392 1.970) 5.751 9.470 ( 2.734 3.698 5.873) 7.459 9.566 ( 2.975 -5.099 6.338) 8.662 10.210 ( -1.148 18.233 4.041) 18.711 10.420 ( 3.265 3.127 2.487) 5.159 10.606 ( -1.167 19.427 -1.409) 19.513 10.873 ( 2.179 -6.037 5.192) 8.256 11.427 ( -2.183 1.145 -8.243) 8.603 11.475 ( -2.691 -4.814 -10.717) 12.053 11.813 ( -4.412 2.825 0.306) 5.248 11.929 ( -7.573 -14.914 -1.184) 16.769 12.144 ( -1.970 -0.787 -2.111) 2.992 12.215 ( -4.268 -5.521 -2.037) 7.269 12.598 ( 7.623 9.105 -2.337) 12.103 12.814 ( -0.994 -10.051 -11.018) 14.947 13.408 ( 2.011 15.399 4.531) 16.178 13.589 ( 7.527 2.339 4.915) 9.289 13.944 ( 2.413 3.151 2.756) 4.832 14.103 ( 2.201 -6.358 -1.757) 6.954 14.487 ( -4.454 7.795 4.853) 10.206 14.670 ( -1.481 -9.333 1.238) 9.531 14.930 ( 1.538 6.502 5.475) 8.639 15.110 ( 1.746 -10.070 1.786) 10.375 15.624 ( -1.455 -1.556 -0.295) 2.150 15.775 ( 1.138 -14.535 -0.164) 14.580 16.678 ( 2.707 14.913 1.298) 15.212 16.834 ( -1.654 7.105 -11.905) 13.963 16.870 ( 3.405 -3.639 -1.955) 5.354 17.088 ( -4.564 -11.112 -17.521) 21.244 18.015 ( 2.490 6.747 18.830) 20.156 18.250 ( 3.086 -15.377 19.416) 24.959 18.733 ( -6.009 16.054 -20.441) 26.677 19.024 ( -6.373 -10.079 -11.448) 16.530 19.682 ( -0.989 6.395 -7.779) 10.118 19.777 ( 0.852 -1.336 -4.544) 4.813 19.906 ( 1.186 0.663 -1.211) 1.820 19.998 ( 1.138 -6.828 2.389) 7.322 20.286 ( 3.634 13.206 -2.317) 13.892 20.589 ( 2.237 -11.424 -7.369) 13.778 21.034 ( -0.929 7.377 9.963) 12.432 21.222 ( -0.315 -8.006 14.354) 16.439 21.838 ( -1.055 16.200 3.718) 16.654 22.147 ( 0.812 -11.934 1.702) 12.082 23.275 ( 0.390 3.209 5.896) 6.724 23.388 ( -0.520 -7.172 9.378) 11.818 24.117 ( -4.581 4.137 1.924) 6.465 24.198 ( 0.720 -3.616 8.308) 9.089 24.945 ( -1.341 1.843 0.341) 2.305 24.969 ( -1.260 0.150 0.176) 1.281 25.394 ( -0.712 17.319 -7.741) 18.984 25.717 ( 0.963 -13.175 -6.733) 14.827 26.030 ( 1.440 4.742 -3.708) 6.190 26.198 ( 2.410 -10.562 -6.609) 12.690 26.902 ( -0.331 3.335 5.634) 6.556 27.058 ( 0.354 -10.744 3.306) 11.246 28.617 ( 1.978 9.138 -2.579) 9.699 28.801 ( 2.642 -8.814 -5.293) 10.615 29.311 ( 1.255 5.500 -2.411) 6.135 29.358 ( 1.222 0.415 -1.545) 2.013 29.982 ( -7.940 14.911 -0.755) 16.910 30.128 ( 0.223 3.359 3.603) 4.931 30.405 ( -6.807 0.758 0.673) 6.882 30.533 ( 5.542 -3.593 -1.363) 6.744 30.753 ( 0.746 0.363 -8.468) 8.508 30.953 ( 8.989 -10.961 -7.712) 16.137 31.472 ( 1.022 0.993 18.905) 18.959 31.517 ( -1.045 -3.544 21.492) 21.808 32.371 ( -0.687 2.947 1.815) 3.528 32.458 ( -0.566 -5.686 -0.512) 5.737 32.906 ( -4.424 5.799 -2.466) 7.699 33.039 ( -5.313 -6.705 -2.414) 8.889 33.565 ( 3.952 11.945 -6.270) 14.057 33.806 ( 4.189 -10.792 -8.804) 14.544 34.681 ( -1.913 12.865 2.611) 13.266 34.915 ( -0.791 -9.296 -2.454) 9.647 ======================= Grid point 111 (59/136) ======================= q-point: ( 0.09 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 9.875 20.760 7.088) 24.057 2.866 ( 4.886 -0.563 6.762) 8.361 2.976 ( 11.607 17.119 4.427) 21.151 3.428 ( 5.143 -14.933 3.280) 16.131 3.724 ( 3.892 1.671 -7.109) 8.275 3.793 ( 4.161 -5.895 -5.200) 8.894 4.021 ( 0.210 13.217 -2.053) 13.377 4.200 ( -1.429 -4.189 -0.669) 4.476 4.626 ( 7.412 20.528 5.880) 22.604 5.020 ( -1.871 -14.721 3.523) 15.251 5.312 ( -2.019 4.550 -3.056) 5.841 5.483 ( -4.228 -10.303 -2.137) 11.340 6.503 ( -1.100 6.288 -1.577) 6.575 6.589 ( -0.541 -0.306 -10.708) 10.726 7.185 ( -0.276 -3.015 5.390) 6.182 7.312 ( 0.196 -15.639 -4.159) 16.184 7.741 ( 2.544 2.377 1.104) 3.652 7.807 ( 2.201 -1.953 3.269) 4.398 8.440 ( 7.532 5.674 6.416) 11.406 8.587 ( 4.624 -7.035 5.816) 10.233 8.752 ( 4.493 -0.693 -2.556) 5.215 8.799 ( 3.560 -4.709 2.919) 6.586 9.510 ( 0.892 3.496 5.207) 6.335 9.618 ( 1.977 -6.084 5.291) 8.302 10.113 ( -8.699 23.499 8.089) 26.331 10.430 ( -1.778 -2.091 3.358) 4.337 10.575 ( -0.676 19.983 -4.772) 20.557 10.901 ( -0.010 -5.734 5.478) 7.930 11.315 ( -10.324 -5.881 -11.897) 16.814 11.328 ( -8.689 -5.671 -13.035) 16.661 11.738 ( -3.121 1.920 0.301) 3.677 11.825 ( -0.166 -5.729 1.296) 5.876 12.074 ( -4.566 -1.660 -4.983) 6.960 12.139 ( -3.203 -6.399 -0.890) 7.211 12.685 ( -8.964 0.968 -9.045) 12.771 12.701 ( -2.354 -1.380 -4.261) 5.060 13.406 ( 0.805 15.272 6.580) 16.649 13.693 ( 2.005 -7.043 4.359) 8.522 13.986 ( 2.931 10.856 4.965) 12.292 14.226 ( 5.610 -7.568 0.933) 9.467 14.452 ( 1.401 10.576 1.068) 10.722 14.686 ( 3.300 -9.027 0.486) 9.624 14.941 ( -0.291 4.227 6.372) 7.652 15.131 ( -0.178 -11.540 3.377) 12.025 15.620 ( 1.035 1.207 -2.678) 3.114 15.783 ( -0.143 -14.025 0.359) 14.030 16.654 ( -5.157 16.378 -10.359) 20.053 16.825 ( 2.113 5.689 -0.421) 6.084 16.902 ( -6.195 -5.881 -15.582) 17.769 16.997 ( 1.295 -10.598 3.479) 11.230 18.065 ( 1.592 6.872 19.703) 20.928 18.296 ( 0.708 -14.291 19.718) 24.363 18.605 ( -5.067 12.049 -24.398) 27.679 18.854 ( -8.935 -9.207 -15.380) 20.028 19.681 ( 0.940 9.215 -9.514) 13.278 19.805 ( 1.689 -0.167 -5.914) 6.152 19.932 ( 1.418 0.173 -1.834) 2.324 20.045 ( 3.029 -8.339 0.742) 8.903 20.371 ( 4.009 12.587 0.286) 13.213 20.606 ( -0.161 -6.088 -7.916) 9.988 21.060 ( 2.893 6.449 13.966) 15.652 21.267 ( 4.390 -10.616 12.659) 17.095 21.809 ( -1.730 16.316 5.496) 17.303 22.131 ( -2.182 -12.813 2.897) 13.317 23.277 ( -0.518 1.995 3.112) 3.733 23.364 ( -1.781 -6.377 6.737) 9.446 23.974 ( -8.668 9.162 2.198) 12.803 24.157 ( -4.557 -8.088 6.512) 11.340 24.892 ( -3.289 3.131 -0.262) 4.549 24.943 ( -1.637 -1.506 1.383) 2.619 25.235 ( -12.689 15.324 -6.097) 20.809 25.533 ( -15.442 -12.579 -5.960) 20.790 26.066 ( 2.105 6.941 -4.225) 8.394 26.257 ( 3.330 -10.636 -5.520) 12.437 26.914 ( 0.641 5.964 5.888) 8.405 27.105 ( 2.462 -11.613 4.334) 12.637 28.665 ( 1.951 9.956 -2.690) 10.496 28.854 ( 2.255 -8.522 -3.670) 9.549 29.283 ( -3.720 7.902 -0.803) 8.770 29.347 ( -2.209 1.024 -0.560) 2.498 29.738 ( -10.659 11.156 -5.931) 16.531 29.990 ( -11.354 -10.604 -4.790) 16.257 30.382 ( 3.576 10.716 4.729) 12.247 30.643 ( 3.711 -12.430 5.769) 14.197 30.866 ( 8.536 14.658 -10.726) 20.070 31.180 ( 12.007 -12.878 -4.418) 18.153 31.466 ( -1.282 1.110 20.705) 20.774 31.497 ( -0.329 -1.533 23.089) 23.142 32.390 ( -0.250 2.030 -4.388) 4.841 32.471 ( 0.604 -5.679 -3.705) 6.808 32.955 ( 8.530 7.226 -3.835) 11.819 33.070 ( 5.888 -2.880 -3.823) 7.588 33.662 ( 4.186 10.713 1.515) 11.602 33.892 ( 4.372 -11.213 -0.820) 12.063 34.648 ( 0.202 19.550 -1.797) 19.634 35.086 ( 17.263 -23.322 -8.494) 30.233 ======================= Grid point 112 (60/136) ======================= q-point: ( 0.18 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 13.212 15.888 4.933) 21.244 3.009 ( 8.081 -0.594 5.990) 10.077 3.260 ( 14.366 12.663 3.462) 19.461 3.564 ( 7.332 -10.596 2.073) 13.051 3.835 ( 6.479 1.764 -4.465) 8.064 3.905 ( 5.952 -6.001 -0.518) 8.468 4.097 ( 7.303 8.778 -4.640) 12.325 4.228 ( 4.157 -5.063 -1.371) 6.692 4.752 ( 4.065 11.473 3.489) 12.662 4.938 ( -5.482 -6.204 2.443) 8.632 5.283 ( -1.207 0.584 -2.605) 2.930 5.378 ( -5.642 -7.125 -2.780) 9.504 6.438 ( -4.825 7.529 1.261) 9.031 6.573 ( -0.835 -2.883 -4.326) 5.265 7.165 ( -1.890 -1.146 2.323) 3.207 7.316 ( 0.006 -14.538 -6.673) 15.996 7.765 ( 0.130 7.334 2.642) 7.797 7.896 ( 4.627 -4.815 3.770) 7.669 8.621 ( 7.639 4.468 10.527) 13.752 8.734 ( 8.978 -4.137 4.234) 10.754 8.881 ( 7.347 0.280 0.252) 7.356 8.918 ( 8.227 -2.838 3.072) 9.229 9.517 ( 0.149 6.266 5.276) 8.193 9.663 ( 2.563 -5.475 1.795) 6.306 9.904 ( -9.398 23.617 5.597) 26.027 10.372 ( -3.248 -8.128 3.544) 9.443 10.581 ( 0.641 14.543 -3.991) 15.094 10.866 ( -3.703 -7.307 -0.610) 8.214 11.050 ( -12.032 -4.519 -11.001) 16.917 11.168 ( -5.554 -5.683 -11.675) 14.123 11.693 ( -1.624 4.479 -2.703) 5.477 11.866 ( 1.541 -10.039 1.067) 10.212 11.955 ( -5.708 4.966 -2.402) 7.937 12.077 ( -2.633 -5.237 3.865) 7.021 12.417 ( -12.914 3.352 -6.823) 14.986 12.564 ( -11.036 -10.131 -4.964) 15.782 13.458 ( 2.984 13.510 4.259) 14.476 13.715 ( -0.029 -8.712 0.517) 8.727 14.032 ( 0.830 13.647 7.310) 15.504 14.280 ( 0.407 -8.043 5.334) 9.660 14.527 ( 4.393 15.601 -0.576) 16.218 14.769 ( 2.850 -0.949 0.092) 3.005 14.956 ( 2.301 -5.173 5.805) 8.109 15.104 ( -1.975 -12.910 3.794) 13.600 15.656 ( 2.353 3.091 -7.121) 8.112 15.783 ( 0.599 -10.264 -0.242) 10.285 16.521 ( -6.535 8.060 -13.496) 17.024 16.696 ( -10.498 -8.129 -19.122) 23.279 16.880 ( 2.080 9.623 7.643) 12.464 17.058 ( 2.673 -7.035 12.797) 14.846 18.082 ( -0.389 6.142 19.491) 20.439 18.276 ( -2.928 -7.516 16.642) 18.494 18.543 ( -0.255 0.646 -22.944) 22.955 18.674 ( -7.426 -5.787 -19.723) 21.855 19.704 ( 1.245 10.545 -11.052) 15.326 19.833 ( 0.921 0.500 -8.865) 8.927 19.965 ( 1.769 2.473 -0.921) 3.177 20.117 ( 3.819 -9.531 -2.685) 10.613 20.436 ( 1.984 8.981 -0.020) 9.198 20.597 ( -0.147 -4.469 -6.136) 7.593 21.158 ( 6.051 9.044 17.159) 20.318 21.388 ( 6.264 -10.297 10.546) 16.016 21.778 ( -1.059 13.429 8.799) 16.090 22.073 ( -3.068 -12.415 5.383) 13.875 23.248 ( -2.190 1.657 -1.774) 3.269 23.328 ( -1.549 -6.520 2.597) 7.187 23.777 ( -10.037 12.436 3.113) 16.282 24.016 ( -9.073 -10.071 3.908) 14.107 24.819 ( -3.528 4.539 0.393) 5.762 24.896 ( -2.943 -2.849 2.695) 4.904 24.952 ( -12.582 11.681 -1.440) 17.229 25.202 ( -14.353 -10.911 -2.901) 18.261 26.104 ( 1.512 8.504 -7.582) 11.493 26.325 ( 3.055 -11.877 -8.308) 14.813 26.912 ( -0.962 8.747 8.659) 12.345 27.125 ( -0.625 -10.888 7.131) 13.030 28.668 ( -1.502 12.347 -4.755) 13.316 28.882 ( 0.458 -8.399 -4.098) 9.357 29.206 ( -2.045 8.314 2.726) 8.985 29.284 ( -3.198 1.315 0.341) 3.475 29.602 ( -3.292 4.119 -9.355) 10.739 29.776 ( -8.020 -11.843 -8.939) 16.867 30.455 ( 2.422 11.246 4.303) 12.282 30.686 ( 0.249 -10.308 5.133) 11.518 31.044 ( 7.529 18.683 -1.258) 20.183 31.421 ( 7.450 -7.184 4.130) 11.143 31.473 ( 3.926 -3.515 13.573) 14.560 31.490 ( -1.288 -4.322 17.393) 17.968 32.368 ( -0.664 3.459 -10.268) 10.856 32.468 ( -0.765 -5.963 -8.822) 10.676 33.133 ( 5.656 5.317 -3.575) 8.547 33.173 ( 3.896 1.606 -1.861) 4.607 33.694 ( -0.600 12.643 10.441) 16.407 33.977 ( 3.376 -14.204 13.144) 19.644 34.773 ( 12.911 33.922 -9.994) 37.647 35.567 ( 26.314 -42.815 -15.837) 52.692 ======================= Grid point 113 (61/136) ======================= q-point: ( 0.27 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 13.206 9.350 2.981) 16.453 3.185 ( 8.312 0.519 4.569) 9.499 3.541 ( 12.234 7.590 0.238) 14.400 3.722 ( 7.997 -7.105 -0.258) 10.700 3.975 ( 6.763 2.569 -1.662) 7.423 4.034 ( 6.786 -2.458 2.376) 7.599 4.289 ( 9.472 1.820 -2.499) 9.964 4.348 ( 6.515 -5.109 -0.518) 8.296 4.773 ( -3.138 2.815 -0.651) 4.266 4.832 ( -3.085 -2.070 0.589) 3.761 5.240 ( -2.990 -1.526 -1.011) 3.506 5.251 ( -6.330 -2.217 -0.979) 6.778 6.322 ( -5.881 10.714 3.180) 12.629 6.558 ( -0.435 -8.729 0.471) 8.752 7.104 ( -4.037 3.656 -2.507) 5.995 7.299 ( -1.586 -13.810 -9.586) 16.886 7.765 ( -0.021 9.695 5.586) 11.189 7.958 ( 1.101 -7.899 5.937) 9.942 8.707 ( 0.361 6.429 15.963) 17.213 8.862 ( 1.573 -5.811 7.965) 9.984 9.062 ( 9.705 9.686 -0.783) 13.734 9.161 ( 14.316 -1.147 1.258) 14.416 9.529 ( 0.846 14.649 6.667) 16.118 9.723 ( 2.885 2.034 -2.685) 4.435 9.795 ( -0.946 4.553 0.687) 4.700 10.320 ( -1.497 -16.505 2.570) 16.771 10.572 ( -1.410 10.701 -3.880) 11.470 10.740 ( -6.311 -12.686 -8.845) 16.703 10.914 ( -0.592 8.209 -4.775) 9.515 11.114 ( 0.019 -7.718 -10.941) 13.390 11.645 ( -3.283 5.505 -4.434) 7.794 11.764 ( -7.058 -0.198 -5.907) 9.206 11.944 ( 0.393 -0.080 5.241) 5.257 12.038 ( -0.963 -3.293 8.099) 8.796 12.196 ( -7.699 -2.596 -1.037) 8.191 12.310 ( -11.927 -12.852 -5.365) 18.336 13.496 ( 0.319 10.343 1.347) 10.435 13.680 ( -3.015 -6.262 -3.843) 7.942 14.037 ( -0.186 13.528 6.895) 15.185 14.281 ( -0.085 -7.887 6.503) 10.222 14.575 ( -0.466 15.849 3.714) 16.285 14.804 ( 1.335 5.728 1.618) 6.100 14.980 ( -1.652 -15.119 6.021) 16.358 15.087 ( 0.623 -10.701 -0.777) 10.748 15.717 ( 3.664 5.903 -10.567) 12.646 15.821 ( 3.131 -5.129 -2.393) 6.468 16.389 ( -5.786 1.766 -13.629) 14.912 16.494 ( -7.781 -7.799 -14.910) 18.538 16.910 ( 0.570 12.323 11.776) 17.055 17.101 ( 1.066 -5.936 14.623) 15.818 18.060 ( -1.929 5.170 19.198) 19.975 18.212 ( -2.767 -3.454 7.746) 8.921 18.521 ( -3.852 -1.687 -15.897) 16.444 18.582 ( 0.791 -8.845 -20.455) 22.300 19.721 ( 0.635 9.171 -12.512) 15.526 19.832 ( -0.735 -0.306 -11.587) 11.615 20.005 ( 2.049 5.784 0.455) 6.153 20.198 ( 3.897 -10.597 -5.542) 12.578 20.449 ( -0.551 8.330 -2.570) 8.735 20.607 ( 1.028 -5.054 -2.895) 5.915 21.301 ( 6.659 10.091 17.255) 21.069 21.512 ( 5.206 -5.967 7.800) 11.115 21.779 ( 1.022 8.040 12.471) 14.873 22.022 ( -1.645 -11.184 8.271) 14.008 23.201 ( -1.780 2.476 -4.835) 5.717 23.300 ( -1.335 -7.387 -1.870) 7.736 23.572 ( -9.262 12.211 4.318) 15.923 23.790 ( -12.152 -8.003 1.246) 14.604 24.740 ( -5.863 4.551 4.842) 8.862 24.749 ( -4.892 7.899 -0.897) 9.334 24.836 ( -2.877 -3.433 5.039) 6.742 24.974 ( -7.374 -10.530 -0.438) 12.863 26.119 ( 0.004 10.070 -12.161) 15.789 26.368 ( 1.111 -13.230 -13.800) 19.150 26.887 ( -1.484 10.705 13.073) 16.961 27.102 ( -1.205 -9.347 11.123) 14.578 28.636 ( -0.699 13.151 -5.468) 14.259 28.879 ( -0.361 -9.375 -4.950) 10.608 29.208 ( 1.447 3.929 2.610) 4.934 29.233 ( -1.451 2.585 0.229) 2.973 29.552 ( -1.881 1.052 -10.380) 10.601 29.653 ( -3.919 -8.932 -10.965) 14.676 30.476 ( -0.278 9.491 3.656) 10.175 30.661 ( -2.502 -7.698 4.776) 9.398 31.131 ( 0.337 16.678 8.180) 18.579 31.386 ( -6.540 -2.542 12.536) 14.366 31.498 ( 2.614 2.664 8.057) 8.879 31.638 ( 6.107 -13.854 2.621) 15.365 32.369 ( 0.672 3.665 -11.081) 11.691 32.437 ( -1.699 -3.135 -9.939) 10.559 33.144 ( -3.262 4.156 -1.332) 5.449 33.211 ( -2.137 -2.021 -2.587) 3.917 33.729 ( 5.587 16.847 14.447) 22.886 34.086 ( 7.852 -16.823 19.452) 26.890 35.120 ( 18.249 42.363 -12.256) 47.727 36.076 ( 21.712 -48.982 -17.502) 56.365 ======================= Grid point 114 (62/136) ======================= q-point: ( 0.36 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 8.588 3.049 2.121) 9.356 3.340 ( 6.241 0.901 3.808) 7.367 3.773 ( 10.605 5.374 -2.056) 12.066 3.905 ( 9.437 -5.638 -2.875) 11.363 4.102 ( 5.090 5.670 -0.576) 7.641 4.188 ( 7.635 -0.706 2.264) 7.995 4.411 ( 1.212 -0.619 0.116) 1.365 4.454 ( 1.980 -4.848 2.723) 5.902 4.669 ( -4.760 4.170 -1.002) 6.407 4.806 ( -0.014 -7.494 -1.006) 7.561 5.131 ( -4.529 0.011 0.345) 4.542 5.169 ( -3.277 -3.125 0.765) 4.592 6.211 ( -4.610 13.909 3.256) 15.010 6.550 ( -0.604 -16.048 1.276) 16.110 7.002 ( -5.346 10.459 -7.856) 14.131 7.250 ( -2.626 -13.456 -11.645) 17.987 7.770 ( 0.308 8.720 8.920) 12.478 7.957 ( -0.902 -6.896 7.632) 10.326 8.678 ( -2.414 8.211 17.793) 19.744 8.836 ( -3.146 -5.505 13.040) 14.500 9.242 ( 6.961 18.234 -4.123) 19.948 9.443 ( 11.302 -2.503 -2.566) 11.857 9.573 ( 3.808 19.496 8.555) 21.628 9.771 ( 1.296 2.154 -3.709) 4.481 9.792 ( -0.939 -5.178 -1.845) 5.576 10.316 ( 1.024 -23.885 3.056) 24.102 10.553 ( 0.236 9.473 -8.319) 12.609 10.690 ( 1.807 -8.549 -2.809) 9.178 10.958 ( 3.802 8.212 -6.235) 10.990 11.132 ( 1.462 -6.574 -9.825) 11.911 11.561 ( -3.768 8.061 -6.116) 10.797 11.656 ( -3.285 2.365 -3.923) 5.636 11.894 ( -4.178 -2.247 0.549) 4.776 12.047 ( -0.061 1.335 10.667) 10.750 12.056 ( -6.863 -15.536 -4.435) 17.554 12.148 ( -1.600 -7.499 7.185) 10.507 13.480 ( -1.580 6.919 -0.536) 7.117 13.610 ( -3.158 -5.094 -6.534) 8.867 14.029 ( -0.725 14.294 4.472) 14.995 14.277 ( -0.580 -7.598 4.998) 9.113 14.523 ( -4.059 14.197 6.302) 16.054 14.824 ( 0.337 7.038 3.334) 7.795 14.924 ( -3.042 -18.385 4.453) 19.159 15.092 ( -0.275 -9.305 -1.625) 9.450 15.788 ( 3.016 7.570 -11.416) 14.026 15.904 ( 4.383 -2.509 -6.345) 8.109 16.291 ( -2.663 0.803 -12.147) 12.462 16.379 ( -3.203 -7.035 -9.166) 11.990 16.909 ( -0.805 13.793 12.378) 18.550 17.106 ( -0.972 -4.396 13.424) 14.159 18.017 ( -2.483 4.624 16.956) 17.750 18.179 ( -0.578 -5.417 5.364) 7.645 18.442 ( -2.776 3.403 -15.933) 16.527 18.616 ( 2.259 -14.297 -14.455) 20.457 19.729 ( 0.471 6.390 -14.380) 15.743 19.806 ( -1.180 -0.893 -12.401) 12.489 20.043 ( 1.405 8.115 0.669) 8.263 20.270 ( 2.980 -12.128 -6.935) 14.285 20.425 ( -1.444 10.049 -3.708) 10.808 20.623 ( 0.256 -6.944 -1.546) 7.119 21.419 ( 4.135 10.839 14.101) 18.260 21.612 ( 4.379 -1.888 8.064) 9.369 21.814 ( 1.387 3.560 12.918) 13.471 22.007 ( -0.468 -9.420 9.957) 13.715 23.180 ( -0.366 2.706 -5.374) 6.028 23.261 ( -2.350 -4.177 -4.050) 6.274 23.421 ( -4.718 6.066 4.432) 8.871 23.549 ( -9.929 -4.260 1.174) 10.868 24.643 ( -3.540 4.149 4.025) 6.778 24.662 ( -3.569 3.509 3.338) 6.016 24.805 ( -0.095 -3.110 6.189) 6.927 24.880 ( -2.208 -9.141 2.098) 9.635 26.101 ( -1.257 11.304 -16.225) 19.814 26.367 ( -0.512 -13.780 -18.101) 22.756 26.857 ( -1.756 12.413 15.574) 19.993 27.092 ( -0.148 -9.684 14.210) 17.197 28.645 ( 1.389 11.773 -5.406) 13.030 28.876 ( 0.187 -9.060 -5.200) 10.448 29.223 ( 0.474 3.719 0.805) 3.834 29.239 ( 0.925 1.649 -0.024) 1.891 29.508 ( -2.108 0.803 -11.174) 11.400 29.599 ( -1.100 -7.545 -12.025) 14.239 30.457 ( -1.352 7.109 3.587) 8.076 30.593 ( -3.856 -5.370 3.831) 7.641 31.093 ( -2.902 9.613 11.474) 15.248 31.233 ( -7.421 -2.196 11.318) 13.711 31.555 ( 2.092 4.579 3.005) 5.862 31.707 ( 1.009 -10.493 2.783) 10.902 32.369 ( -0.438 4.868 -9.278) 10.487 32.423 ( 0.896 -1.045 -9.355) 9.455 33.044 ( -5.292 2.170 0.409) 5.734 33.105 ( -6.412 -3.544 -1.373) 7.454 33.907 ( 9.225 17.774 14.018) 24.445 34.289 ( 9.691 -18.205 20.741) 29.249 35.456 ( 13.338 45.017 -12.300) 48.536 36.439 ( 13.393 -48.563 -17.076) 53.192 ======================= Grid point 115 (63/136) ======================= q-point: ( 0.45 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 1.994 0.970 2.623) 3.435 3.436 ( 2.010 -0.137 2.560) 3.258 3.983 ( 8.564 4.566 -2.076) 9.925 4.094 ( 7.616 -5.260 -3.812) 10.010 4.167 ( 1.140 10.236 -0.991) 10.347 4.322 ( 0.553 5.541 1.937) 5.896 4.356 ( -1.062 -5.800 -1.881) 6.189 4.443 ( -0.128 -7.125 5.346) 8.908 4.587 ( -4.269 6.928 2.075) 8.398 4.809 ( -0.578 -12.697 0.526) 12.721 5.083 ( -0.044 0.009 0.392) 0.395 5.128 ( -0.511 -3.684 1.046) 3.864 6.141 ( -1.975 15.120 2.950) 15.531 6.527 ( -1.560 -20.130 -0.300) 20.193 6.899 ( -3.801 15.856 -11.950) 20.216 7.204 ( -1.140 -14.254 -12.294) 18.858 7.782 ( 0.657 7.297 11.910) 13.983 7.939 ( -0.685 -5.446 7.919) 9.636 8.646 ( -0.635 8.852 16.849) 19.043 8.770 ( -3.011 -2.728 15.967) 16.476 9.343 ( 2.713 19.930 -7.134) 21.342 9.579 ( 1.715 -7.659 -7.346) 10.750 9.690 ( 5.616 22.898 11.346) 26.164 9.738 ( -3.877 -0.754 -1.678) 4.291 9.776 ( 0.349 -4.656 -2.567) 5.328 10.354 ( 1.965 -24.888 3.985) 25.281 10.559 ( -0.151 9.931 -8.933) 13.358 10.767 ( 4.109 -7.492 -0.599) 8.566 11.047 ( 4.552 5.307 -6.469) 9.525 11.163 ( 1.946 -4.152 -6.829) 8.226 11.512 ( -0.667 7.618 -8.449) 11.396 11.612 ( -1.108 2.025 -2.560) 3.447 11.815 ( -2.964 -1.041 1.341) 3.415 11.919 ( -4.302 -11.514 -6.486) 13.898 12.072 ( 1.300 -0.870 13.460) 13.551 12.176 ( 3.041 -9.139 10.671) 14.375 13.438 ( -2.278 5.200 -2.036) 6.031 13.557 ( -1.715 -5.965 -7.960) 10.094 14.008 ( -1.316 14.647 1.536) 14.786 14.252 ( -2.005 -7.439 2.494) 8.098 14.430 ( -4.643 14.861 6.418) 16.840 14.814 ( -1.559 -3.476 3.824) 5.397 14.877 ( -0.898 -9.974 2.579) 10.341 15.089 ( 0.324 -9.325 -0.145) 9.332 15.831 ( 1.297 9.171 -11.246) 14.569 15.981 ( 3.025 -3.587 -8.213) 9.459 16.286 ( 2.062 1.861 -7.207) 7.723 16.348 ( 0.448 -4.542 -7.299) 8.608 16.884 ( -1.808 13.527 10.566) 17.260 17.069 ( -2.669 -2.563 10.423) 11.060 17.970 ( -2.252 3.832 14.362) 15.034 18.170 ( -1.207 -11.145 7.286) 13.370 18.413 ( 0.795 9.291 -14.025) 16.842 18.673 ( 3.638 -15.911 -11.571) 20.007 19.735 ( 0.431 4.865 -17.244) 17.923 19.790 ( 0.034 -1.164 -11.842) 11.899 20.058 ( -0.063 9.721 0.330) 9.726 20.304 ( -0.086 -11.574 -4.377) 12.375 20.407 ( 0.533 7.995 -6.285) 10.184 20.613 ( -1.151 -8.619 -1.504) 8.825 21.484 ( 1.979 13.286 13.628) 19.135 21.685 ( 1.609 1.129 10.635) 10.815 21.822 ( -0.758 -0.042 9.326) 9.357 21.983 ( -2.364 -8.287 7.058) 11.139 23.158 ( -1.291 4.115 -3.344) 5.457 23.244 ( 1.029 -3.819 -3.687) 5.407 23.356 ( -2.107 2.209 2.733) 4.097 23.432 ( -0.845 -2.814 3.554) 4.611 24.571 ( -2.748 5.397 2.608) 6.594 24.634 ( 0.346 0.862 6.836) 6.899 24.820 ( 1.060 -2.744 6.857) 7.462 24.872 ( 1.210 -8.598 4.561) 9.808 26.069 ( -1.211 12.202 -19.128) 22.721 26.350 ( -0.612 -14.204 -20.350) 24.824 26.821 ( -1.996 13.825 16.080) 21.300 27.091 ( -0.512 -11.539 15.312) 19.180 28.674 ( 1.113 10.893 -5.542) 12.273 28.879 ( 0.126 -7.439 -5.510) 9.259 29.223 ( -2.660 1.792 -0.486) 3.244 29.247 ( 1.093 2.002 -0.705) 2.387 29.468 ( -1.033 3.357 -11.790) 12.302 29.607 ( 2.236 -8.376 -11.409) 14.329 30.438 ( -0.206 4.326 3.660) 5.670 30.516 ( -3.255 -2.657 2.024) 4.664 31.054 ( -0.566 4.165 11.996) 12.711 31.116 ( -3.641 -0.881 11.613) 12.202 31.583 ( 0.835 4.046 1.991) 4.586 31.702 ( -1.255 -7.519 2.331) 7.971 32.371 ( 0.996 7.623 -7.592) 10.805 32.453 ( 1.935 -0.697 -8.484) 8.730 32.957 ( -2.672 -0.477 0.594) 2.779 32.991 ( -3.814 -3.784 -0.303) 5.381 34.056 ( 3.877 17.729 13.484) 22.608 34.443 ( 3.771 -18.786 20.814) 28.290 35.646 ( 4.913 45.678 -12.201) 47.534 36.624 ( 4.707 -47.339 -16.509) 50.356 ======================= Grid point 116 (64/136) ======================= q-point: (-0.45 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -3.629 0.295 1.584) 3.971 3.417 ( -2.812 -0.009 2.604) 3.833 4.044 ( -4.457 4.191 -0.231) 6.122 4.076 ( -5.003 5.353 -4.243) 8.467 4.188 ( -4.822 2.105 -0.317) 5.271 4.304 ( 3.746 -4.862 0.602) 6.167 4.420 ( 2.566 2.628 2.009) 4.186 4.478 ( -0.341 -0.885 4.327) 4.430 4.512 ( 1.743 3.831 1.635) 4.515 4.789 ( -0.541 -15.608 -1.009) 15.650 5.111 ( 2.195 -0.363 1.519) 2.694 5.139 ( 1.583 -2.558 1.107) 3.205 6.136 ( 1.446 13.704 2.852) 14.072 6.492 ( -1.534 -18.759 -1.360) 18.871 6.853 ( -0.291 17.059 -13.431) 21.714 7.205 ( 1.462 -16.661 -11.935) 20.547 7.804 ( 1.208 7.693 13.172) 15.302 7.945 ( 1.343 -5.220 8.315) 9.909 8.654 ( 0.359 8.828 14.313) 16.820 8.738 ( 0.255 -0.784 17.155) 17.175 9.325 ( -5.000 14.822 -9.319) 18.208 9.520 ( -6.941 -7.869 -8.488) 13.496 9.653 ( -3.560 8.384 2.768) 9.519 9.744 ( 0.608 1.794 1.615) 2.489 9.846 ( 4.731 8.322 5.188) 10.888 10.367 ( -1.454 -13.299 0.068) 13.379 10.538 ( -1.249 3.648 -4.144) 5.661 10.813 ( -0.016 -12.770 -2.446) 13.002 11.126 ( 3.166 6.852 -2.154) 7.850 11.232 ( 4.623 -2.674 -3.907) 6.617 11.526 ( 1.982 5.362 -9.684) 11.245 11.605 ( 0.502 1.088 -2.411) 2.693 11.789 ( 0.839 1.314 1.779) 2.366 11.881 ( 0.790 -11.002 -3.942) 11.714 12.116 ( 2.707 2.004 13.341) 13.760 12.261 ( 4.729 -11.451 10.198) 16.046 13.383 ( -3.006 5.656 -3.699) 7.397 13.527 ( -1.284 -8.008 -9.979) 12.859 13.977 ( -1.757 13.827 0.241) 13.941 14.203 ( -2.384 -6.952 0.884) 7.403 14.350 ( -2.663 16.609 5.147) 17.591 14.773 ( -1.787 -14.766 1.860) 14.989 14.892 ( 1.870 -0.100 3.462) 3.936 15.111 ( 1.707 -9.690 -0.148) 9.841 15.828 ( -1.733 11.370 -10.182) 15.361 16.015 ( -0.086 -5.495 -5.807) 7.995 16.353 ( 4.361 3.929 -6.344) 8.643 16.412 ( 6.159 -3.639 -7.237) 10.176 16.840 ( -2.578 11.149 8.049) 13.991 17.005 ( -3.589 -2.004 7.634) 8.671 17.932 ( -1.573 1.835 13.968) 14.175 18.120 ( -3.347 -13.772 8.219) 16.384 18.480 ( 5.690 12.827 -10.920) 17.781 18.763 ( 5.166 -14.159 -9.906) 18.036 19.740 ( 0.487 4.972 -19.399) 20.032 19.800 ( 0.972 -1.669 -10.925) 11.094 20.040 ( -1.625 10.883 -0.285) 11.007 20.270 ( -2.588 -7.210 -2.284) 7.993 20.442 ( 2.380 -0.289 -7.320) 7.702 20.575 ( -2.468 -8.261 -1.929) 8.835 21.496 ( -1.878 14.178 17.130) 22.316 21.659 ( -3.509 5.817 8.495) 10.878 21.796 ( -2.377 -3.034 8.717) 9.531 21.936 ( -1.019 -8.308 2.858) 8.845 23.162 ( 1.875 4.848 -2.648) 5.834 23.260 ( 0.516 -4.799 -4.130) 6.353 23.371 ( 3.038 3.015 5.352) 6.853 23.477 ( 4.748 -5.522 3.944) 8.282 24.545 ( 0.380 8.228 4.238) 9.263 24.670 ( 2.859 -1.055 7.153) 7.775 24.852 ( 1.938 -1.889 7.627) 8.093 24.919 ( 2.782 -8.218 5.929) 10.508 26.044 ( -0.832 12.508 -21.066) 24.514 26.332 ( -0.821 -14.422 -21.700) 26.069 26.789 ( -1.083 13.585 15.775) 20.846 27.076 ( -1.036 -12.878 14.996) 19.794 28.678 ( -0.602 10.877 -5.708) 12.299 28.875 ( -0.442 -6.942 -6.523) 9.536 29.135 ( -5.119 4.190 -3.072) 7.294 29.239 ( -2.145 -4.128 -1.680) 4.946 29.484 ( 2.964 8.550 -10.038) 13.514 29.679 ( 4.415 -9.181 -8.341) 13.167 30.458 ( 2.094 2.170 4.127) 5.111 30.474 ( -0.593 0.900 0.683) 1.276 31.079 ( 1.857 0.812 11.791) 11.964 31.094 ( 1.620 -0.011 11.260) 11.376 31.603 ( 1.194 1.891 2.211) 3.145 31.663 ( -2.441 -4.083 1.662) 5.039 32.409 ( 3.019 7.865 -6.344) 10.545 32.500 ( 2.850 -0.403 -7.355) 7.899 32.930 ( 0.018 -0.797 0.367) 0.878 32.972 ( 2.028 -4.304 -0.785) 4.822 34.056 ( -4.274 17.182 13.192) 22.080 34.434 ( -5.130 -18.594 20.654) 28.260 35.650 ( -4.251 45.804 -12.048) 47.553 36.628 ( -3.924 -47.300 -16.286) 50.179 ======================= Grid point 117 (65/136) ======================= q-point: (-0.36 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -8.358 2.584 1.509) 8.878 3.322 ( -6.430 -1.099 2.339) 6.930 3.875 ( -10.753 5.485 2.135) 12.259 3.937 ( -7.581 0.598 -3.305) 8.292 4.053 ( -8.044 6.092 -1.393) 10.186 4.192 ( -10.165 -4.038 2.317) 11.180 4.448 ( -1.867 1.382 2.133) 3.153 4.510 ( -1.299 -4.495 4.160) 6.261 4.627 ( 9.804 4.519 -1.867) 10.956 4.807 ( 2.052 -10.846 -0.991) 11.083 5.181 ( 5.022 -0.248 1.564) 5.266 5.194 ( 3.178 -1.314 1.063) 3.600 6.195 ( 3.813 10.280 2.838) 11.326 6.475 ( 0.256 -15.161 -0.655) 15.177 6.872 ( 2.176 15.885 -12.697) 20.452 7.248 ( 2.592 -19.620 -10.773) 22.532 7.837 ( 1.623 9.493 11.771) 15.209 7.998 ( 3.145 -6.320 10.574) 12.714 8.653 ( -0.518 11.302 13.041) 17.265 8.790 ( 3.637 -3.418 14.899) 15.712 9.143 ( -11.256 7.825 -10.176) 17.073 9.308 ( -12.386 -9.830 -8.882) 18.136 9.595 ( -2.851 14.405 6.065) 15.887 9.720 ( -3.546 -1.904 -2.082) 4.531 9.928 ( 2.869 10.234 6.526) 12.472 10.295 ( -4.583 2.459 -5.930) 7.888 10.523 ( -0.075 -4.958 1.691) 5.239 10.790 ( -1.184 -16.603 -5.014) 17.384 11.195 ( 3.703 9.606 3.470) 10.865 11.327 ( 4.231 -2.916 -2.608) 5.763 11.583 ( 3.734 3.292 -7.953) 9.383 11.635 ( 2.656 -0.185 -2.185) 3.445 11.855 ( 5.094 1.360 2.038) 5.652 11.956 ( 6.492 -10.570 -0.764) 12.428 12.191 ( 4.296 5.079 10.923) 12.789 12.372 ( 5.553 -12.731 8.000) 16.029 13.312 ( -3.620 6.639 -5.541) 9.375 13.486 ( -2.587 -9.829 -13.108) 16.587 13.933 ( -2.281 13.638 0.991) 13.863 14.166 ( -1.031 -6.821 1.387) 7.036 14.342 ( 2.102 17.736 3.204) 18.145 14.756 ( 0.177 -13.631 0.759) 13.653 14.944 ( 2.784 -0.790 4.445) 5.304 15.149 ( 1.442 -9.775 -0.604) 9.899 15.750 ( -5.057 12.359 -9.718) 16.515 15.970 ( -3.826 -8.656 -3.752) 10.181 16.462 ( 5.684 8.301 -8.820) 13.379 16.581 ( 9.466 -3.912 -7.781) 12.862 16.788 ( -2.324 7.108 6.171) 9.695 16.934 ( -2.820 -3.325 6.081) 7.483 17.916 ( -0.207 -0.502 14.860) 14.870 18.054 ( -2.814 -12.588 10.290) 16.500 18.624 ( 7.814 13.590 -9.080) 18.116 18.874 ( 5.466 -9.699 -9.429) 14.589 19.747 ( 0.571 4.928 -18.812) 19.455 19.818 ( 0.841 -2.440 -10.173) 10.496 19.994 ( -2.705 11.342 -1.248) 11.727 20.209 ( -2.999 -7.534 -2.849) 8.595 20.477 ( -0.605 -4.297 -2.982) 5.266 20.512 ( -2.322 -6.007 -5.326) 8.357 21.415 ( -5.115 10.692 17.256) 20.935 21.553 ( -7.143 1.468 8.412) 11.133 21.771 ( 0.768 5.088 8.140) 9.630 21.939 ( 0.484 -6.739 3.197) 7.474 23.215 ( 2.580 3.443 -2.603) 5.029 23.279 ( 1.460 -3.554 -2.891) 4.808 23.470 ( 6.809 3.842 6.024) 9.870 23.620 ( 8.564 -8.916 3.632) 12.886 24.592 ( 3.939 10.572 5.453) 12.531 24.751 ( 4.628 -1.653 6.894) 8.466 24.905 ( 2.950 -1.032 8.234) 8.807 24.980 ( 2.986 -7.107 5.446) 9.439 26.019 ( -1.281 11.702 -21.026) 24.097 26.295 ( -2.445 -13.548 -21.240) 25.311 26.795 ( 1.548 11.109 14.152) 18.057 27.068 ( 0.272 -13.054 13.220) 18.581 28.652 ( -1.474 10.858 -5.887) 12.439 28.850 ( -2.135 -7.969 -9.734) 12.760 29.042 ( -3.000 6.407 -1.871) 7.318 29.180 ( -2.635 -5.828 -2.982) 7.057 29.565 ( 4.430 10.196 -7.513) 13.418 29.771 ( 4.382 -8.989 -5.263) 11.301 30.487 ( 1.577 4.735 -0.431) 5.009 30.520 ( 3.234 1.323 5.552) 6.560 31.115 ( 1.482 1.439 11.353) 11.539 31.169 ( 3.951 -3.223 8.646) 10.037 31.594 ( -3.948 1.015 3.252) 5.215 31.628 ( 0.347 -2.425 1.154) 2.708 32.507 ( 6.677 5.146 -4.210) 9.422 32.571 ( 4.113 0.132 -5.352) 6.751 32.960 ( 2.552 2.288 -0.593) 3.478 33.050 ( 4.813 -5.084 -3.044) 7.634 33.899 ( -10.330 15.865 12.714) 22.804 34.253 ( -12.020 -17.611 20.032) 29.256 35.471 ( -12.274 45.270 -11.621) 48.322 36.454 ( -12.406 -48.380 -16.290) 52.535 ======================= Grid point 118 (66/136) ======================= q-point: (-0.27 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( -11.991 6.774 2.560) 14.008 3.157 ( -9.256 -0.974 3.015) 9.784 3.603 ( -15.392 9.118 2.963) 18.134 3.750 ( -10.121 -4.333 0.059) 11.010 3.909 ( -5.062 3.579 -4.223) 7.502 3.981 ( -9.063 -2.475 -0.180) 9.397 4.358 ( -5.932 0.939 1.083) 6.102 4.437 ( -4.722 -5.550 4.245) 8.433 4.793 ( 0.275 2.059 -0.982) 2.297 4.845 ( 4.761 -2.501 0.416) 5.394 5.261 ( 3.344 3.277 -0.399) 4.699 5.317 ( 7.390 -2.040 1.103) 7.745 6.285 ( 4.525 7.239 2.080) 8.787 6.513 ( 3.210 -13.258 -0.783) 13.663 6.934 ( 4.152 13.659 -9.275) 17.024 7.295 ( 1.977 -20.664 -8.401) 22.394 7.867 ( 0.646 9.648 9.388) 13.478 8.053 ( 1.165 -8.376 12.158) 14.810 8.618 ( -4.630 14.858 9.200) 18.078 8.839 ( -2.752 -6.742 6.753) 9.931 8.932 ( -4.382 1.801 -4.494) 6.530 9.041 ( -11.785 -11.110 -5.638) 17.150 9.510 ( -5.786 10.496 6.532) 13.650 9.604 ( -6.253 -0.916 -4.166) 7.569 9.981 ( 2.914 13.400 8.374) 16.068 10.211 ( -2.658 9.180 -7.597) 12.209 10.537 ( 1.293 -3.109 2.256) 4.053 10.784 ( 0.647 -16.969 -6.335) 18.124 11.283 ( 4.501 9.784 4.968) 11.861 11.401 ( 2.924 -1.582 -3.241) 4.643 11.686 ( 6.517 0.262 -4.468) 7.906 11.719 ( 5.370 -1.935 1.103) 5.814 11.977 ( 5.987 1.057 3.062) 6.807 12.122 ( 7.927 -10.327 3.654) 13.522 12.317 ( 8.452 6.225 4.137) 11.283 12.490 ( 5.492 -11.140 3.312) 12.854 13.233 ( -3.773 6.382 -6.081) 9.589 13.416 ( -3.539 -10.499 -14.548) 18.286 13.893 ( -1.363 15.194 1.683) 15.348 14.162 ( 0.458 -7.797 2.064) 8.078 14.428 ( 5.547 17.449 2.740) 18.514 14.772 ( 0.954 -6.965 -0.467) 7.046 14.995 ( 1.565 -4.714 6.280) 8.006 15.142 ( -2.706 -7.769 0.019) 8.226 15.654 ( -2.741 8.310 -9.768) 13.114 15.871 ( -5.117 -12.241 -2.781) 13.556 16.549 ( 2.383 12.531 -7.602) 14.849 16.739 ( 0.672 -5.893 -6.982) 9.161 16.782 ( 5.786 6.120 -0.758) 8.456 16.926 ( 2.927 -5.139 3.184) 6.717 17.929 ( 0.801 -1.729 13.938) 14.067 18.022 ( -0.185 -11.234 15.548) 19.183 18.777 ( 6.428 13.934 -9.765) 18.189 18.978 ( 4.621 -4.792 -9.386) 11.507 19.753 ( 0.291 3.254 -14.142) 14.515 19.825 ( -0.015 -3.640 -9.591) 10.258 19.934 ( -2.706 11.436 -2.316) 11.978 20.147 ( -2.902 -8.989 -3.285) 10.001 20.383 ( -5.874 1.159 -1.804) 6.253 20.504 ( -0.397 -10.338 -6.473) 12.203 21.329 ( -3.334 6.840 17.360) 18.954 21.393 ( -7.721 1.837 8.385) 11.545 21.810 ( 2.126 8.074 9.021) 12.292 21.953 ( 1.251 -5.304 2.205) 5.879 23.252 ( 0.947 2.360 -0.010) 2.543 23.315 ( 1.943 -3.827 0.766) 4.360 23.665 ( 11.434 4.625 5.288) 13.419 23.823 ( 10.486 -9.167 2.149) 14.093 24.709 ( 7.053 11.020 4.776) 13.928 24.862 ( 5.754 -0.572 6.020) 8.347 24.973 ( 3.284 0.050 6.801) 7.552 25.053 ( 4.453 -6.147 3.432) 8.330 25.984 ( -1.396 9.454 -17.942) 20.328 26.225 ( -3.449 -11.860 -17.834) 21.693 26.856 ( 3.539 7.796 11.152) 14.060 27.096 ( 1.906 -12.663 9.817) 16.136 28.626 ( -0.765 9.655 -6.598) 11.720 28.785 ( -3.296 -5.726 -12.853) 14.451 29.023 ( 1.057 6.265 0.681) 6.390 29.156 ( 0.804 -5.219 -1.856) 5.597 29.656 ( 4.469 10.708 -6.315) 13.210 29.858 ( 4.224 -8.107 -3.157) 9.671 30.520 ( 1.174 7.743 -1.535) 7.980 30.577 ( 1.730 1.681 6.836) 7.250 31.122 ( -1.660 0.901 9.360) 9.548 31.214 ( -1.012 -7.434 4.681) 8.843 31.502 ( -4.302 4.928 5.332) 8.440 31.612 ( -2.103 -5.570 2.707) 6.540 32.649 ( 3.236 2.426 -0.336) 4.059 32.669 ( 6.583 0.227 -0.690) 6.623 33.015 ( 2.587 6.453 -3.975) 8.008 33.144 ( 3.953 -4.951 -6.828) 9.315 33.684 ( -8.930 13.532 11.605) 19.939 33.989 ( -12.480 -15.202 17.111) 26.070 35.161 ( -16.227 41.822 -10.177) 45.999 36.107 ( -20.495 -48.465 -15.907) 54.972 ======================= Grid point 119 (67/136) ======================= q-point: (-0.18 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -14.541 13.369 3.487) 20.059 2.962 ( -8.766 1.381 4.193) 9.815 3.264 ( -16.147 10.107 2.983) 19.281 3.545 ( -8.937 -12.032 1.542) 15.067 3.823 ( -3.636 1.656 -4.265) 5.844 3.841 ( -4.530 0.036 -2.265) 5.065 4.234 ( -5.222 2.967 -0.918) 6.076 4.349 ( -3.283 -5.046 4.741) 7.662 4.671 ( -9.036 15.235 1.057) 17.745 4.944 ( 2.947 -10.640 2.542) 11.330 5.333 ( 3.256 7.129 -2.440) 8.208 5.460 ( 5.706 -4.263 0.756) 7.163 6.374 ( 3.908 6.603 -0.339) 7.680 6.582 ( 2.746 -10.789 -6.339) 12.811 7.042 ( 6.015 7.818 -1.555) 9.986 7.327 ( 1.159 -19.025 -5.022) 19.711 7.849 ( -2.773 6.169 6.110) 9.115 8.018 ( -5.322 -9.868 9.014) 14.386 8.460 ( -7.875 13.850 2.575) 16.139 8.712 ( -7.526 -8.787 2.155) 11.768 8.846 ( -4.204 -3.777 -0.924) 5.727 8.924 ( -3.134 -6.223 1.512) 7.130 9.399 ( -2.997 7.433 5.889) 9.945 9.506 ( -2.649 -2.498 -0.332) 3.656 10.087 ( 7.221 15.024 10.030) 19.454 10.189 ( 0.660 13.490 -8.136) 15.767 10.571 ( 1.769 2.269 1.884) 3.439 10.802 ( 1.066 -14.899 -4.923) 15.727 11.374 ( 3.868 7.921 1.219) 8.899 11.448 ( 1.847 0.515 -5.443) 5.771 11.825 ( 5.201 -2.760 -1.567) 6.092 11.865 ( 8.811 -5.514 6.947) 12.502 12.084 ( 3.877 1.988 2.115) 4.843 12.242 ( 3.695 -5.239 4.680) 7.938 12.512 ( 5.136 -1.157 -5.517) 7.626 12.611 ( 8.708 -5.539 -1.440) 10.420 13.171 ( -1.112 6.507 -3.640) 7.539 13.364 ( 0.006 -9.674 -10.106) 13.989 13.881 ( 0.085 15.842 1.757) 15.939 14.171 ( -0.084 -8.300 1.476) 8.431 14.549 ( 5.155 16.299 4.132) 17.587 14.772 ( -1.388 -0.670 -1.542) 2.180 14.987 ( -3.886 -2.177 8.585) 9.672 15.062 ( -2.148 -10.253 -0.750) 10.502 15.655 ( 2.461 -1.884 -6.806) 7.478 15.771 ( -4.341 -12.318 -1.627) 13.162 16.575 ( 1.008 11.859 -3.923) 12.532 16.731 ( 0.315 -3.363 -0.091) 3.379 16.881 ( 2.849 6.070 -13.479) 15.055 17.041 ( 6.223 -6.342 -4.676) 10.041 17.943 ( 0.438 0.126 12.621) 12.629 18.066 ( 3.740 -12.115 21.460) 24.926 18.862 ( 1.651 15.111 -14.112) 20.741 19.062 ( 3.488 -3.374 -8.153) 9.488 19.747 ( -0.682 1.729 -7.404) 7.634 19.808 ( -1.459 -4.306 -8.257) 9.426 19.892 ( -1.175 9.949 -2.535) 10.334 20.083 ( -3.404 -9.650 -2.390) 10.508 20.274 ( -3.798 6.399 -3.614) 8.272 20.495 ( 0.285 -13.570 -6.247) 14.942 21.226 ( -6.963 7.361 9.778) 14.082 21.294 ( -2.222 0.075 15.283) 15.443 21.842 ( 0.718 9.933 6.739) 12.024 22.009 ( 3.958 -6.338 2.432) 7.858 23.261 ( 0.133 2.867 3.185) 4.288 23.355 ( 1.652 -5.408 5.363) 7.794 23.916 ( 11.558 4.116 6.403) 13.840 24.032 ( 8.667 -6.266 1.581) 10.811 24.864 ( 6.434 8.327 3.137) 10.981 24.969 ( 3.265 -0.408 3.230) 4.611 25.064 ( 6.969 5.774 2.510) 9.392 25.209 ( 11.489 -6.750 -0.018) 13.325 25.965 ( 0.206 6.585 -12.618) 14.234 26.165 ( -1.607 -10.749 -13.074) 17.002 26.921 ( 1.888 5.432 8.416) 10.193 27.130 ( 0.503 -12.512 5.890) 13.839 28.612 ( -0.685 7.503 -6.925) 10.233 28.737 ( -0.492 -4.261 -12.277) 13.004 29.087 ( 5.311 7.829 1.790) 9.629 29.214 ( 4.313 -3.633 -0.981) 5.724 29.759 ( 6.016 11.911 -5.074) 14.276 29.955 ( 5.388 -6.054 -1.741) 8.289 30.523 ( -0.899 9.373 -3.129) 9.922 30.585 ( -1.118 1.756 7.854) 8.125 31.024 ( -8.291 -1.662 3.886) 9.306 31.110 ( -8.078 -9.424 0.350) 12.417 31.441 ( -1.734 4.663 11.341) 12.384 31.556 ( -2.761 -6.234 6.175) 9.199 32.634 ( -4.817 3.099 2.821) 6.385 32.696 ( -5.153 -2.898 2.681) 6.492 33.091 ( 4.745 8.844 -6.857) 12.155 33.211 ( 1.921 -2.368 -6.561) 7.235 33.569 ( -2.937 9.382 8.299) 12.865 33.778 ( -7.459 -10.015 7.018) 14.324 34.856 ( -11.243 30.761 -5.787) 33.259 35.613 ( -25.580 -41.870 -13.600) 50.916 ======================= Grid point 120 (68/136) ======================= q-point: (-0.09 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -10.216 20.845 4.369) 23.621 2.823 ( -4.090 4.690 4.600) 7.739 2.974 ( -11.003 9.723 4.788) 15.445 3.402 ( -4.489 -17.155 2.577) 17.919 3.744 ( -3.707 1.141 -5.275) 6.547 3.772 ( -2.273 -1.639 -4.473) 5.279 4.152 ( -3.259 6.326 -1.329) 7.240 4.314 ( -0.441 -5.182 4.260) 6.723 4.484 ( -7.147 28.794 2.584) 29.780 4.984 ( 1.459 -18.116 3.552) 18.519 5.377 ( 0.758 7.741 -2.526) 8.178 5.541 ( 2.030 -7.083 0.247) 7.373 6.445 ( 2.893 7.087 -3.118) 8.266 6.610 ( 0.317 -5.449 -12.291) 13.448 7.151 ( 3.509 -0.135 5.039) 6.142 7.335 ( -0.353 -17.122 -2.908) 17.371 7.769 ( -4.310 1.853 3.823) 6.052 7.875 ( -6.357 -7.185 3.466) 10.201 8.354 ( -2.700 10.957 4.918) 12.310 8.579 ( -4.478 -10.249 3.474) 11.712 8.777 ( -3.226 -1.957 0.529) 3.810 8.821 ( -5.138 -4.332 -1.234) 6.833 9.407 ( 2.588 5.052 6.273) 8.460 9.504 ( 2.158 -4.078 4.534) 6.469 10.198 ( 1.702 14.952 1.131) 15.091 10.286 ( 8.659 12.554 1.917) 15.371 10.604 ( 1.097 9.626 1.262) 9.770 10.829 ( 1.727 -10.449 -0.199) 10.593 11.432 ( 1.548 4.503 -4.445) 6.514 11.480 ( 1.235 -0.002 -6.976) 7.085 11.878 ( -0.597 0.803 2.099) 2.326 12.009 ( 2.122 -18.104 1.848) 18.321 12.141 ( 2.002 4.621 1.029) 5.140 12.284 ( -0.476 -6.247 2.230) 6.651 12.506 ( -0.672 9.925 -8.459) 13.058 12.782 ( 4.456 -13.850 -9.368) 17.305 13.248 ( 9.043 11.386 2.568) 14.765 13.441 ( 6.666 -3.542 -1.500) 7.696 13.893 ( 1.154 11.330 1.760) 11.524 14.142 ( -2.843 -6.624 0.054) 7.209 14.585 ( -2.925 11.377 6.599) 13.474 14.723 ( -2.846 -4.043 -1.434) 5.148 14.904 ( -1.115 4.212 6.186) 7.566 15.071 ( 1.691 -11.293 0.931) 11.457 15.675 ( -2.832 -7.166 -0.300) 7.711 15.733 ( 2.448 -10.740 -2.580) 11.314 16.612 ( 2.802 11.617 -1.364) 12.028 16.769 ( 3.362 -4.182 1.845) 5.675 16.896 ( -0.970 9.695 -17.889) 20.370 17.126 ( 1.479 -8.863 -12.619) 15.491 17.966 ( 1.598 4.168 15.980) 16.592 18.163 ( 4.621 -14.234 21.433) 26.141 18.839 ( -3.285 16.487 -18.145) 24.736 19.099 ( -0.448 -6.889 -8.495) 10.947 19.718 ( -1.926 3.275 -5.843) 6.970 19.777 ( -0.847 -2.218 -5.496) 5.987 19.885 ( 0.557 4.589 -0.957) 4.721 20.013 ( -2.598 -7.476 0.030) 7.915 20.240 ( 0.569 9.632 -4.434) 10.618 20.529 ( 2.966 -14.807 -6.465) 16.426 21.098 ( -5.123 9.272 8.324) 13.472 21.252 ( -2.223 -4.532 15.421) 16.227 21.849 ( -0.117 13.434 4.104) 14.047 22.096 ( 3.779 -9.380 2.246) 10.359 23.265 ( 0.259 3.532 5.507) 6.547 23.382 ( 0.781 -6.913 8.866) 11.269 24.115 ( 6.786 1.353 7.833) 10.452 24.149 ( 2.134 -1.547 2.403) 3.567 24.942 ( 1.487 3.784 1.848) 4.467 24.993 ( -0.464 -0.519 0.670) 0.966 25.271 ( 10.663 13.717 -4.397) 17.921 25.513 ( 15.579 -9.037 -3.663) 18.379 25.990 ( 2.164 4.307 -7.011) 8.508 26.160 ( 1.199 -10.524 -9.059) 13.937 26.926 ( -1.303 3.745 6.476) 7.593 27.101 ( -3.061 -11.852 3.152) 12.640 28.598 ( -0.110 7.994 -4.968) 9.413 28.754 ( 1.915 -7.103 -8.780) 11.455 29.226 ( 6.641 7.263 0.167) 9.843 29.304 ( 3.772 -0.946 -1.566) 4.192 29.922 ( 9.245 14.080 -1.875) 16.948 30.073 ( 5.004 0.390 1.004) 5.119 30.484 ( -2.461 9.067 -4.383) 10.367 30.550 ( -2.451 -1.919 6.424) 7.138 30.826 ( -7.812 -4.134 -2.537) 9.195 30.933 ( -7.095 -10.721 -5.000) 13.794 31.435 ( 1.005 2.713 17.027) 17.272 31.520 ( -0.643 -5.232 12.128) 13.224 32.482 ( -8.445 2.369 2.489) 9.117 32.545 ( -7.114 -3.381 0.283) 7.882 33.075 ( -8.396 7.412 0.103) 11.200 33.185 ( -4.227 -2.259 -2.566) 5.437 33.528 ( -0.738 8.455 -0.875) 8.532 33.727 ( 2.484 -9.608 -7.504) 12.442 34.718 ( -2.782 16.909 0.523) 17.144 35.122 ( -18.603 -22.520 -7.276) 30.103 ======================= Grid point 154 (69/136) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 4.992 0.000 41.939) 42.235 1.652 ( -4.487 0.000 39.856) 40.108 2.553 ( -5.059 0.000 27.409) 27.872 2.989 ( -7.251 0.000 -27.816) 28.746 3.151 ( -0.301 0.000 2.856) 2.872 3.672 ( 7.561 0.000 -3.806) 8.465 3.759 ( -2.358 0.000 6.916) 7.307 4.271 ( 3.962 0.000 -12.644) 13.251 4.765 ( 1.335 0.000 3.675) 3.910 5.125 ( 2.345 0.000 -11.016) 11.263 5.577 ( 1.719 0.000 10.832) 10.968 5.707 ( -0.178 0.000 1.168) 1.181 6.524 ( 0.222 0.000 -2.030) 2.042 6.699 ( -3.384 0.000 -8.843) 9.469 7.427 ( -1.924 0.000 8.236) 8.457 7.461 ( 0.019 0.000 15.085) 15.085 7.988 ( -0.634 0.000 -20.692) 20.702 8.068 ( 4.582 0.000 -14.065) 14.792 8.340 ( -4.519 0.000 5.733) 7.300 8.581 ( -5.705 0.000 -6.658) 8.768 8.855 ( -11.483 0.000 4.336) 12.275 9.007 ( 1.413 0.000 2.965) 3.284 9.505 ( 1.563 0.000 -0.318) 1.595 9.582 ( 0.013 0.000 -3.864) 3.864 9.589 ( -3.665 0.000 14.194) 14.660 10.046 ( 6.094 0.000 -12.055) 13.508 10.528 ( 1.856 0.000 14.137) 14.259 10.734 ( -2.196 0.000 -3.142) 3.833 10.820 ( 5.150 0.000 26.926) 27.415 11.533 ( -11.069 0.000 2.120) 11.270 11.717 ( 2.049 0.000 -6.709) 7.015 11.719 ( 3.457 0.000 -1.519) 3.776 12.378 ( -1.837 0.000 -0.925) 2.056 12.600 ( 1.437 0.000 10.615) 10.712 12.715 ( -8.594 0.000 -14.138) 16.545 13.113 ( -0.356 0.000 1.537) 1.577 13.202 ( 3.612 0.000 -19.576) 19.907 13.379 ( 3.943 0.000 -13.670) 14.227 13.764 ( 8.382 0.000 -4.683) 9.602 13.777 ( 1.020 0.000 2.943) 3.115 14.100 ( -4.492 0.000 8.101) 9.263 14.580 ( 3.389 0.000 -11.487) 11.976 15.117 ( 1.366 0.000 9.419) 9.518 15.419 ( -0.178 0.000 -5.671) 5.674 16.045 ( 1.738 0.000 15.361) 15.459 16.554 ( 0.752 0.000 -6.231) 6.276 16.601 ( -11.196 0.000 7.642) 13.556 16.709 ( 11.721 0.000 -0.250) 11.724 17.265 ( -5.788 0.000 11.008) 12.437 17.545 ( 8.047 0.000 10.239) 13.022 18.008 ( -1.668 0.000 -13.000) 13.107 18.063 ( -4.170 0.000 -13.448) 14.080 18.608 ( -0.539 0.000 -1.290) 1.398 18.822 ( -4.240 0.000 -18.774) 19.247 19.475 ( -3.191 0.000 1.795) 3.662 19.664 ( 1.354 0.000 -6.310) 6.453 19.810 ( 5.968 0.000 5.893) 8.387 19.852 ( -4.298 0.000 8.991) 9.966 20.278 ( 1.634 0.000 -4.009) 4.329 20.529 ( -2.611 0.000 -15.505) 15.723 21.185 ( 1.179 0.000 23.405) 23.435 21.588 ( 6.827 0.000 7.994) 10.512 21.787 ( -3.331 0.000 5.202) 6.177 22.294 ( 0.086 0.000 -17.409) 17.410 23.273 ( -5.483 0.000 20.235) 20.965 23.688 ( 6.801 0.000 3.470) 7.635 23.982 ( -12.117 0.000 -8.527) 14.817 24.103 ( 5.025 0.000 -13.497) 14.402 24.658 ( 6.786 0.000 11.068) 12.983 24.997 ( -3.980 0.000 -7.045) 8.092 25.266 ( -0.649 0.000 23.611) 23.620 25.824 ( -0.655 0.000 -5.769) 5.806 26.353 ( 4.137 0.000 1.862) 4.536 26.818 ( -8.878 0.000 -21.431) 23.197 27.575 ( -6.405 0.000 9.916) 11.805 27.935 ( 2.100 0.000 -5.930) 6.291 28.151 ( -8.147 0.000 10.202) 13.056 28.510 ( 27.583 0.000 -6.668) 28.377 28.826 ( 0.640 0.000 0.179) 0.665 28.951 ( -1.017 0.000 -4.308) 4.426 29.405 ( 3.501 0.000 2.275) 4.175 29.487 ( 1.763 0.000 -5.295) 5.580 30.107 ( -2.740 0.000 6.105) 6.692 30.473 ( 2.666 0.000 -11.138) 11.453 31.273 ( 11.772 0.000 11.990) 16.803 31.431 ( -5.726 0.000 1.708) 5.975 31.540 ( -9.588 0.000 11.489) 14.964 32.126 ( 5.921 0.000 -16.766) 17.781 32.531 ( 3.509 0.000 5.732) 6.721 32.722 ( -1.697 0.000 -1.963) 2.594 33.062 ( 34.174 0.000 1.075) 34.190 33.159 ( -4.947 0.000 -3.367) 5.984 33.396 ( -32.348 0.000 0.346) 32.350 33.424 ( -1.499 0.000 1.419) 2.064 34.453 ( 2.162 0.000 2.106) 3.019 34.560 ( -4.426 0.000 -2.747) 5.209 ======================= Grid point 155 (70/136) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 13.634 0.000 32.437) 35.186 2.090 ( 30.530 0.000 32.810) 44.817 2.688 ( 19.391 0.000 27.183) 33.391 2.977 ( 6.067 0.000 -20.329) 21.215 3.227 ( 7.256 0.000 -4.826) 8.714 3.745 ( 1.263 0.000 6.684) 6.802 3.865 ( 10.534 0.000 -4.087) 11.299 4.364 ( 5.321 0.000 -11.017) 12.235 4.772 ( -0.421 0.000 1.000) 1.085 5.130 ( -1.722 0.000 -9.975) 10.123 5.552 ( -4.369 0.000 9.913) 10.833 5.656 ( -4.375 0.000 0.856) 4.458 6.597 ( 4.274 0.000 -1.673) 4.590 6.638 ( -2.278 0.000 -6.174) 6.581 7.317 ( -8.132 0.000 7.795) 11.264 7.564 ( 7.915 0.000 9.456) 12.331 7.922 ( -4.804 0.000 -12.779) 13.652 8.197 ( 5.324 0.000 -11.035) 12.252 8.294 ( 2.034 0.000 7.121) 7.406 8.513 ( -1.352 0.000 11.305) 11.385 8.707 ( -2.864 0.000 -5.714) 6.391 9.070 ( 4.291 0.000 3.116) 5.303 9.488 ( -3.386 0.000 12.365) 12.821 9.586 ( -0.132 0.000 -3.558) 3.560 9.630 ( 7.591 0.000 -1.544) 7.747 10.122 ( 1.788 0.000 -16.248) 16.346 10.532 ( -0.643 0.000 11.860) 11.878 10.658 ( -4.873 0.000 0.825) 4.943 10.932 ( 3.909 0.000 21.161) 21.519 11.341 ( -7.049 0.000 -1.594) 7.227 11.758 ( 0.701 0.000 6.582) 6.620 11.769 ( 2.068 0.000 -11.332) 11.519 12.152 ( -13.161 0.000 1.776) 13.280 12.448 ( -13.577 0.000 -6.704) 15.142 12.822 ( 12.372 0.000 -1.579) 12.472 13.137 ( 2.907 0.000 3.305) 4.402 13.243 ( 0.472 0.000 -17.447) 17.453 13.448 ( 2.834 0.000 -18.692) 18.905 13.668 ( -9.964 0.000 -4.295) 10.850 13.918 ( 4.848 0.000 -2.162) 5.309 14.054 ( -1.628 0.000 8.222) 8.382 14.643 ( 2.759 0.000 -10.636) 10.988 15.184 ( 4.715 0.000 6.464) 8.001 15.456 ( 3.074 0.000 -2.609) 4.032 16.070 ( 0.355 0.000 16.861) 16.865 16.331 ( -13.983 0.000 4.969) 14.839 16.536 ( -2.660 0.000 -12.535) 12.814 16.883 ( 4.593 0.000 3.769) 5.942 17.144 ( -5.514 0.000 13.365) 14.458 17.722 ( 8.401 0.000 12.426) 15.000 17.925 ( -6.036 0.000 -6.934) 9.193 17.947 ( -6.070 0.000 -18.399) 19.375 18.593 ( -1.505 0.000 11.438) 11.536 18.729 ( -3.866 0.000 -25.694) 25.983 19.427 ( -1.311 0.000 0.932) 1.609 19.647 ( -4.676 0.000 6.453) 7.969 19.752 ( -2.022 0.000 -3.298) 3.869 20.019 ( 13.449 0.000 7.625) 15.461 20.286 ( 0.708 0.000 -2.497) 2.595 20.450 ( -4.129 0.000 -15.259) 15.807 21.204 ( -0.418 0.000 18.414) 18.418 21.709 ( 4.119 0.000 7.603) 8.647 21.729 ( -1.755 0.000 7.448) 7.652 22.262 ( -2.651 0.000 -17.281) 17.483 23.168 ( -4.961 0.000 14.017) 14.869 23.719 ( -12.078 0.000 -2.923) 12.427 23.813 ( 5.195 0.000 7.473) 9.101 24.199 ( 4.467 0.000 -12.335) 13.119 24.739 ( -0.495 0.000 12.061) 12.071 24.883 ( -6.506 0.000 -8.407) 10.630 25.161 ( -8.693 0.000 16.603) 18.741 25.697 ( -10.180 0.000 -4.243) 11.029 26.392 ( -22.010 0.000 -0.822) 22.025 26.420 ( 2.123 0.000 4.422) 4.905 27.368 ( -12.853 0.000 6.767) 14.526 27.956 ( -7.480 0.000 5.207) 9.114 27.987 ( 2.946 0.000 -5.219) 5.993 28.730 ( -6.874 0.000 -8.877) 11.227 28.933 ( 6.963 0.000 -0.773) 7.006 29.006 ( 8.709 0.000 -2.663) 9.107 29.449 ( -3.669 0.000 -6.465) 7.433 29.503 ( 6.375 0.000 2.484) 6.842 30.116 ( 2.189 0.000 -1.251) 2.521 30.511 ( 0.633 0.000 -9.349) 9.371 31.323 ( -8.476 0.000 13.680) 16.093 31.410 ( 3.875 0.000 -4.741) 6.123 31.447 ( 1.684 0.000 12.180) 12.296 32.300 ( 10.998 0.000 -13.430) 17.358 32.321 ( -31.315 0.000 33.224) 45.656 32.662 ( 6.750 0.000 2.860) 7.331 32.831 ( 1.496 0.000 3.038) 3.386 32.998 ( -10.151 0.000 -10.047) 14.283 33.302 ( -8.599 0.000 5.391) 10.149 33.399 ( 4.712 0.000 -2.781) 5.471 34.663 ( 16.208 0.000 16.071) 22.825 35.804 ( 73.324 0.000 -57.260) 93.033 ======================= Grid point 156 (71/136) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 23.517 0.000 19.567) 30.593 2.615 ( 20.299 0.000 25.273) 32.415 3.181 ( 12.460 0.000 -9.168) 15.469 3.306 ( 24.552 0.000 -7.231) 25.595 3.465 ( 20.835 0.000 6.577) 21.849 3.852 ( 11.717 0.000 9.616) 15.158 4.070 ( 8.125 0.000 -4.995) 9.538 4.491 ( 6.898 0.000 -4.508) 8.240 4.756 ( -0.959 0.000 -0.256) 0.992 5.057 ( -4.539 0.000 -5.804) 7.368 5.439 ( -5.991 0.000 8.173) 10.133 5.547 ( -5.669 0.000 0.323) 5.678 6.571 ( -5.200 0.000 -0.595) 5.234 6.629 ( -1.321 0.000 0.470) 1.402 7.124 ( -9.656 0.000 9.178) 13.322 7.694 ( 3.209 0.000 -4.100) 5.206 7.835 ( -2.592 0.000 -2.246) 3.430 8.205 ( -1.587 0.000 1.186) 1.982 8.410 ( -8.064 0.000 15.911) 17.838 8.461 ( 9.709 0.000 -1.902) 9.893 8.777 ( 8.077 0.000 -5.784) 9.934 9.186 ( 6.702 0.000 3.458) 7.541 9.411 ( -4.246 0.000 8.946) 9.902 9.556 ( -2.618 0.000 -2.513) 3.629 9.838 ( 11.271 0.000 -4.493) 12.134 10.139 ( 0.906 0.000 -21.567) 21.586 10.526 ( -0.032 0.000 6.616) 6.616 10.560 ( -3.721 0.000 4.440) 5.793 10.951 ( -2.445 0.000 18.840) 18.998 11.209 ( -6.940 0.000 -9.138) 11.475 11.735 ( -4.944 0.000 -15.573) 16.339 11.741 ( -4.745 0.000 14.431) 15.191 11.973 ( -0.714 0.000 -1.115) 1.324 12.272 ( -1.853 0.000 1.898) 2.653 12.957 ( -1.757 0.000 -7.275) 7.484 13.203 ( -3.962 0.000 -13.359) 13.935 13.229 ( 4.494 0.000 3.731) 5.841 13.480 ( -4.464 0.000 -3.742) 5.825 13.523 ( 5.463 0.000 -20.206) 20.932 13.939 ( -2.454 0.000 -5.309) 5.849 14.004 ( -2.804 0.000 8.168) 8.636 14.683 ( 1.084 0.000 -10.212) 10.269 15.287 ( 4.119 0.000 5.462) 6.841 15.509 ( 1.384 0.000 2.374) 2.748 16.032 ( -9.082 0.000 12.643) 15.567 16.098 ( -2.821 0.000 9.107) 9.534 16.437 ( -6.214 0.000 -16.898) 18.004 16.907 ( -1.856 0.000 9.511) 9.690 17.051 ( -4.016 0.000 12.131) 12.779 17.751 ( -9.339 0.000 10.176) 13.812 17.819 ( -5.449 0.000 -15.763) 16.679 17.894 ( 6.462 0.000 0.084) 6.463 18.547 ( -2.883 0.000 12.668) 12.992 18.665 ( -1.344 0.000 -30.467) 30.497 19.428 ( 1.429 0.000 -0.014) 1.429 19.532 ( -4.755 0.000 4.983) 6.888 19.778 ( 3.536 0.000 -2.116) 4.121 20.339 ( 13.459 0.000 2.120) 13.625 20.342 ( 4.622 0.000 0.935) 4.715 20.373 ( 0.282 0.000 -11.516) 11.520 21.164 ( -3.471 0.000 9.467) 10.083 21.729 ( 1.434 0.000 11.418) 11.508 21.745 ( -1.146 0.000 5.234) 5.358 22.183 ( -4.406 0.000 -13.135) 13.855 23.073 ( -4.121 0.000 3.709) 5.544 23.518 ( -6.620 0.000 6.507) 9.282 23.901 ( 2.782 0.000 8.196) 8.655 24.278 ( 2.986 0.000 -11.485) 11.867 24.593 ( -12.898 0.000 17.021) 21.355 24.742 ( -6.303 0.000 -6.922) 9.361 25.024 ( -3.443 0.000 3.581) 4.968 25.473 ( -9.643 0.000 -2.428) 9.944 26.043 ( -12.410 0.000 6.747) 14.126 26.431 ( -1.539 0.000 1.396) 2.078 27.129 ( -8.609 0.000 9.141) 12.557 27.863 ( -2.202 0.000 4.694) 5.185 28.055 ( 3.491 0.000 -5.160) 6.230 28.510 ( -11.079 0.000 -10.556) 15.303 29.050 ( 3.833 0.000 -2.013) 4.330 29.169 ( 5.969 0.000 0.787) 6.021 29.413 ( 0.762 0.000 -7.667) 7.705 29.681 ( 10.380 0.000 0.353) 10.386 30.157 ( 1.697 0.000 -2.737) 3.221 30.483 ( -3.103 0.000 -7.192) 7.833 31.160 ( -6.942 0.000 11.585) 13.506 31.449 ( -1.203 0.000 20.468) 20.503 31.533 ( 6.199 0.000 -13.288) 14.663 31.943 ( -9.787 0.000 31.963) 33.428 32.532 ( 7.721 0.000 -12.623) 14.797 32.680 ( -8.478 0.000 -11.777) 14.511 32.863 ( 4.161 0.000 -3.498) 5.436 32.948 ( 8.303 0.000 -0.944) 8.357 33.127 ( -7.199 0.000 9.357) 11.806 33.437 ( -0.156 0.000 -1.407) 1.416 35.066 ( 20.515 0.000 35.921) 41.367 36.931 ( 37.545 0.000 -64.761) 74.857 ======================= Grid point 157 (72/136) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 23.822 0.000 8.640) 25.340 3.010 ( 17.138 0.000 15.544) 23.137 3.451 ( 13.191 0.000 -1.654) 13.294 3.551 ( 7.385 0.000 -7.314) 10.394 3.831 ( 10.604 0.000 -2.417) 10.876 4.177 ( 2.420 0.000 -6.201) 6.656 4.385 ( 29.930 0.000 5.221) 30.382 4.612 ( 3.257 0.000 2.097) 3.874 4.750 ( 1.984 0.000 0.578) 2.066 4.978 ( -2.031 0.000 3.018) 3.638 5.324 ( -4.807 0.000 3.977) 6.239 5.430 ( -5.534 0.000 -0.181) 5.537 6.401 ( -10.515 0.000 5.276) 11.765 6.568 ( -3.742 0.000 2.771) 4.656 6.949 ( -7.420 0.000 12.194) 14.274 7.681 ( -3.988 0.000 -15.391) 15.899 7.816 ( 0.325 0.000 2.159) 2.183 8.162 ( -2.454 0.000 -2.488) 3.494 8.260 ( -5.445 0.000 14.920) 15.882 8.616 ( 4.494 0.000 -0.925) 4.588 8.947 ( 6.013 0.000 5.228) 7.968 9.289 ( -0.302 0.000 7.882) 7.888 9.332 ( -2.072 0.000 2.362) 3.143 9.555 ( 6.210 0.000 -2.484) 6.689 10.055 ( 9.043 0.000 -1.573) 9.179 10.165 ( 2.052 0.000 -24.358) 24.445 10.522 ( 0.028 0.000 2.763) 2.763 10.539 ( 1.287 0.000 2.525) 2.834 10.874 ( -4.449 0.000 17.724) 18.274 11.024 ( -9.290 0.000 -16.528) 18.960 11.610 ( -5.744 0.000 12.484) 13.742 11.654 ( -1.527 0.000 -7.262) 7.421 12.081 ( 8.179 0.000 3.217) 8.789 12.308 ( 3.266 0.000 1.739) 3.700 12.757 ( -14.397 0.000 -9.226) 17.100 13.093 ( -5.820 0.000 -11.239) 12.657 13.272 ( -0.023 0.000 6.672) 6.672 13.511 ( 4.045 0.000 -3.865) 5.595 13.658 ( 6.775 0.000 -19.217) 20.376 13.847 ( -4.863 0.000 -8.174) 9.511 13.983 ( 1.516 0.000 10.190) 10.302 14.679 ( -1.114 0.000 -11.630) 11.684 15.329 ( -0.368 0.000 4.075) 4.092 15.508 ( -1.346 0.000 7.298) 7.421 15.849 ( -6.730 0.000 7.242) 9.886 16.098 ( 0.825 0.000 15.863) 15.884 16.286 ( -7.612 0.000 -18.564) 20.064 16.843 ( -3.898 0.000 14.322) 14.843 16.959 ( -5.265 0.000 6.906) 8.684 17.536 ( -11.082 0.000 11.186) 15.746 17.721 ( -3.728 0.000 -12.658) 13.196 17.996 ( 3.142 0.000 -5.882) 6.668 18.499 ( -1.377 0.000 7.627) 7.751 18.671 ( 2.552 0.000 -28.329) 28.444 19.466 ( -1.611 0.000 1.835) 2.442 19.484 ( 3.792 0.000 -0.873) 3.892 19.867 ( 4.158 0.000 -0.395) 4.176 20.310 ( -2.221 0.000 -15.801) 15.957 20.460 ( 5.928 0.000 7.840) 9.829 20.697 ( 16.120 0.000 2.674) 16.340 21.085 ( -3.646 0.000 2.187) 4.252 21.661 ( -6.743 0.000 1.607) 6.931 21.777 ( 2.517 0.000 12.613) 12.862 22.085 ( -4.492 0.000 -6.713) 8.077 23.021 ( -0.225 0.000 -3.395) 3.402 23.445 ( -1.212 0.000 14.364) 14.415 23.916 ( -1.948 0.000 5.858) 6.173 24.298 ( -1.101 0.000 -12.779) 12.826 24.320 ( -11.892 0.000 18.800) 22.245 24.646 ( -2.242 0.000 -1.570) 2.737 24.983 ( -1.323 0.000 -1.079) 1.707 25.313 ( -5.943 0.000 -3.597) 6.947 25.836 ( -8.120 0.000 6.689) 10.520 26.354 ( -5.310 0.000 -6.017) 8.025 27.035 ( -1.142 0.000 16.678) 16.717 27.848 ( 0.339 0.000 5.129) 5.140 28.102 ( -0.307 0.000 -4.501) 4.511 28.325 ( -4.939 0.000 -15.946) 16.693 29.097 ( 1.027 0.000 -1.277) 1.639 29.254 ( 2.782 0.000 0.512) 2.829 29.460 ( 2.912 0.000 -6.527) 7.147 29.907 ( 10.576 0.000 -4.207) 11.382 30.186 ( 1.107 0.000 -1.258) 1.676 30.386 ( -5.816 0.000 -4.951) 7.638 31.043 ( -4.518 0.000 9.754) 10.750 31.415 ( -2.583 0.000 25.239) 25.371 31.607 ( 0.627 0.000 -18.460) 18.471 31.829 ( -2.558 0.000 22.404) 22.550 32.391 ( -11.504 0.000 -10.757) 15.750 32.589 ( -5.755 0.000 -12.532) 13.791 33.024 ( 1.476 0.000 2.849) 3.209 33.120 ( 13.076 0.000 1.727) 13.190 33.145 ( 9.774 0.000 -0.072) 9.775 33.409 ( -2.054 0.000 -1.528) 2.560 35.485 ( 18.010 0.000 46.218) 49.603 37.468 ( 18.032 0.000 -55.174) 58.046 ======================= Grid point 158 (73/136) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 16.408 0.000 1.737) 16.500 3.305 ( 10.256 0.000 6.265) 12.018 3.669 ( 4.234 0.000 -1.543) 4.506 3.717 ( 11.884 0.000 -0.399) 11.890 4.023 ( 8.135 0.000 -2.518) 8.516 4.184 ( -1.172 0.000 -4.803) 4.944 4.608 ( -2.843 0.000 4.656) 5.456 4.643 ( 0.260 0.000 -0.510) 0.572 4.978 ( 1.113 0.000 9.544) 9.608 5.047 ( 20.118 0.000 -2.596) 20.285 5.249 ( -2.292 0.000 -1.151) 2.564 5.316 ( -5.616 0.000 2.038) 5.975 6.198 ( -7.631 0.000 8.741) 11.603 6.500 ( -2.626 0.000 2.382) 3.546 6.802 ( -7.307 0.000 17.202) 18.689 7.554 ( -6.821 0.000 -12.997) 14.678 7.830 ( 0.672 0.000 -0.457) 0.813 8.105 ( -2.783 0.000 -6.577) 7.141 8.210 ( 0.071 0.000 10.988) 10.988 8.652 ( -0.424 0.000 -0.281) 0.508 8.966 ( -3.058 0.000 11.917) 12.303 9.207 ( -5.074 0.000 6.014) 7.868 9.382 ( 5.706 0.000 -1.677) 5.948 9.768 ( 10.912 0.000 3.157) 11.359 10.195 ( 0.840 0.000 -27.758) 27.771 10.205 ( 5.514 0.000 1.469) 5.706 10.575 ( 1.623 0.000 0.511) 1.702 10.576 ( 5.781 0.000 -2.247) 6.203 10.785 ( -4.646 0.000 15.492) 16.174 10.884 ( -3.270 0.000 -13.051) 13.454 11.542 ( -0.976 0.000 11.531) 11.573 11.647 ( 0.189 0.000 -1.509) 1.521 12.255 ( 6.714 0.000 5.352) 8.586 12.367 ( 2.014 0.000 0.942) 2.224 12.453 ( -12.240 0.000 -6.572) 13.892 12.972 ( -5.209 0.000 -11.615) 12.729 13.240 ( -3.057 0.000 7.436) 8.039 13.572 ( 2.018 0.000 -2.229) 3.006 13.669 ( -4.516 0.000 -14.687) 15.366 13.857 ( 4.708 0.000 -11.876) 12.775 14.069 ( 5.251 0.000 11.252) 12.417 14.652 ( -0.329 0.000 -13.898) 13.902 15.286 ( -3.362 0.000 3.469) 4.831 15.475 ( -1.414 0.000 9.856) 9.957 15.756 ( -2.638 0.000 6.665) 7.168 16.119 ( -7.915 0.000 -17.788) 19.469 16.133 ( 2.108 0.000 16.441) 16.576 16.765 ( -3.969 0.000 14.083) 14.631 16.848 ( -4.520 0.000 3.575) 5.763 17.311 ( -10.408 0.000 13.870) 17.341 17.651 ( -2.847 0.000 -11.415) 11.764 18.028 ( 0.608 0.000 -19.842) 19.851 18.509 ( 2.176 0.000 4.006) 4.559 18.746 ( 4.775 0.000 -21.584) 22.106 19.468 ( 1.711 0.000 3.017) 3.468 19.576 ( 4.802 0.000 -1.634) 5.073 19.930 ( 1.849 0.000 -1.590) 2.439 20.252 ( -3.269 0.000 -16.184) 16.511 20.555 ( 2.068 0.000 15.292) 15.432 20.988 ( 10.987 0.000 -1.482) 11.087 21.043 ( 0.269 0.000 -2.509) 2.523 21.485 ( -9.381 0.000 -1.450) 9.492 21.825 ( 1.549 0.000 12.047) 12.146 22.010 ( -2.222 0.000 -1.350) 2.600 23.076 ( 5.447 0.000 -3.531) 6.491 23.453 ( 1.349 0.000 18.389) 18.439 23.815 ( -7.620 0.000 0.915) 7.675 24.140 ( -5.638 0.000 22.827) 23.513 24.242 ( -3.285 0.000 -12.837) 13.251 24.642 ( 1.165 0.000 3.412) 3.606 24.958 ( -0.970 0.000 -3.605) 3.733 25.211 ( -3.965 0.000 -6.993) 8.039 25.701 ( -4.974 0.000 6.917) 8.520 26.233 ( -5.723 0.000 -9.274) 10.898 27.062 ( 2.904 0.000 18.766) 18.989 27.869 ( 1.274 0.000 6.615) 6.736 28.023 ( -5.337 0.000 -10.275) 11.579 28.313 ( 2.197 0.000 -14.957) 15.117 29.106 ( 0.183 0.000 0.089) 0.204 29.304 ( 2.042 0.000 -3.963) 4.458 29.504 ( 1.420 0.000 -1.136) 1.819 30.071 ( 2.802 0.000 -11.157) 11.503 30.198 ( -0.096 0.000 1.366) 1.370 30.278 ( -1.880 0.000 -1.062) 2.159 30.975 ( -2.306 0.000 8.541) 8.847 31.368 ( -1.828 0.000 24.616) 24.684 31.552 ( -4.725 0.000 -18.179) 18.783 31.826 ( 1.361 0.000 17.088) 17.142 32.181 ( -8.489 0.000 -9.115) 12.456 32.448 ( -5.996 0.000 -7.376) 9.506 33.059 ( 2.720 0.000 1.042) 2.913 33.275 ( -0.310 0.000 2.637) 2.655 33.407 ( 11.901 0.000 -3.463) 12.394 33.409 ( 4.683 0.000 -3.219) 5.683 35.810 ( 11.759 0.000 48.784) 50.181 37.727 ( 8.896 0.000 -47.668) 48.491 ======================= Grid point 159 (74/136) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 7.658 0.000 -0.281) 7.663 3.432 ( 2.038 0.000 0.715) 2.160 3.726 ( 1.193 0.000 2.118) 2.431 3.895 ( 3.502 0.000 -4.880) 6.006 4.146 ( -2.086 0.000 -1.001) 2.314 4.148 ( 3.214 0.000 -1.601) 3.590 4.537 ( -3.256 0.000 7.631) 8.297 4.631 ( -0.536 0.000 0.295) 0.612 5.019 ( 2.849 0.000 7.861) 8.362 5.190 ( -6.446 0.000 5.462) 8.449 5.208 ( -0.834 0.000 -2.504) 2.639 5.393 ( 12.373 0.000 -8.278) 14.887 6.124 ( 0.586 0.000 9.453) 9.471 6.459 ( -1.353 0.000 -0.064) 1.354 6.665 ( -5.524 0.000 21.500) 22.199 7.434 ( -3.541 0.000 -8.527) 9.233 7.824 ( -1.922 0.000 -2.362) 3.045 8.048 ( -2.406 0.000 -7.313) 7.699 8.249 ( 2.988 0.000 10.495) 10.912 8.619 ( -2.406 0.000 0.853) 2.553 8.918 ( -0.441 0.000 9.218) 9.229 9.138 ( -0.866 0.000 2.160) 2.327 9.492 ( 4.020 0.000 -1.179) 4.190 9.941 ( 5.077 0.000 2.617) 5.712 10.194 ( 0.163 0.000 -26.107) 26.107 10.290 ( 2.586 0.000 2.183) 3.384 10.576 ( -2.542 0.000 2.685) 3.697 10.690 ( -4.252 0.000 9.791) 10.674 10.747 ( 8.777 0.000 -4.882) 10.043 10.865 ( 1.598 0.000 -7.800) 7.962 11.562 ( 2.120 0.000 10.197) 10.416 11.645 ( -0.356 0.000 0.700) 0.786 12.139 ( -11.042 0.000 1.497) 11.143 12.387 ( -0.184 0.000 3.215) 3.220 12.487 ( 8.821 0.000 2.435) 9.151 12.881 ( -3.050 0.000 -15.488) 15.785 13.169 ( -3.215 0.000 8.444) 9.035 13.584 ( -2.661 0.000 -15.375) 15.604 13.615 ( 2.491 0.000 0.667) 2.579 13.899 ( -0.905 0.000 -10.681) 10.720 14.138 ( -0.078 0.000 10.716) 10.716 14.681 ( 3.063 0.000 -13.857) 14.191 15.207 ( -4.154 0.000 4.991) 6.493 15.477 ( 1.725 0.000 9.116) 9.278 15.736 ( 0.592 0.000 5.178) 5.212 15.958 ( -6.814 0.000 -14.538) 16.056 16.189 ( 3.013 0.000 15.638) 15.925 16.675 ( -4.390 0.000 7.006) 8.268 16.818 ( 1.648 0.000 6.593) 6.796 17.127 ( -7.093 0.000 15.758) 17.281 17.603 ( -1.259 0.000 -9.730) 9.811 18.025 ( -0.181 0.000 -30.537) 30.538 18.581 ( 4.356 0.000 0.697) 4.411 18.840 ( 4.283 0.000 -16.727) 17.267 19.526 ( 3.301 0.000 5.004) 5.995 19.673 ( 4.370 0.000 -2.340) 4.957 19.948 ( 0.061 0.000 -2.618) 2.619 20.158 ( -5.540 0.000 -16.776) 17.667 20.544 ( -2.899 0.000 18.039) 18.271 21.088 ( -3.321 0.000 3.338) 4.708 21.095 ( 4.072 0.000 -1.665) 4.399 21.345 ( -1.493 0.000 -11.354) 11.452 21.839 ( -0.528 0.000 11.614) 11.626 21.996 ( 0.577 0.000 1.854) 1.942 23.224 ( 7.731 0.000 3.397) 8.445 23.511 ( 4.291 0.000 17.366) 17.888 23.622 ( -10.189 0.000 -4.487) 11.133 24.092 ( 0.283 0.000 26.317) 26.318 24.170 ( -3.304 0.000 -11.935) 12.384 24.673 ( 1.416 0.000 6.251) 6.409 24.946 ( -0.005 0.000 -5.013) 5.013 25.140 ( -2.654 0.000 -11.950) 12.241 25.635 ( -1.552 0.000 8.314) 8.458 26.122 ( -4.689 0.000 -8.792) 9.965 27.155 ( 5.542 0.000 16.623) 17.522 27.892 ( 0.583 0.000 8.524) 8.544 27.924 ( -3.580 0.000 -13.933) 14.385 28.357 ( 1.951 0.000 -15.379) 15.502 29.113 ( 0.551 0.000 1.371) 1.478 29.317 ( -1.231 0.000 -9.120) 9.202 29.539 ( 2.455 0.000 6.168) 6.639 29.986 ( -7.302 0.000 -10.501) 12.790 30.182 ( -1.354 0.000 3.654) 3.897 30.344 ( 4.886 0.000 -4.447) 6.607 30.944 ( -1.037 0.000 8.735) 8.797 31.374 ( 2.244 0.000 21.621) 21.738 31.446 ( -4.202 0.000 -15.560) 16.118 31.873 ( 2.359 0.000 15.422) 15.602 32.041 ( -4.076 0.000 -7.947) 8.932 32.352 ( -3.359 0.000 -6.751) 7.540 33.135 ( 4.404 0.000 -0.961) 4.508 33.212 ( -3.808 0.000 0.505) 3.841 33.515 ( 3.448 0.000 -1.102) 3.620 33.579 ( 4.357 0.000 -4.745) 6.442 35.980 ( 3.284 0.000 48.814) 48.924 37.839 ( 3.125 0.000 -43.889) 44.000 ======================= Grid point 160 (75/136) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -6.148 0.000 -0.739) 6.192 3.456 ( 1.894 0.000 -0.718) 2.025 3.728 ( -0.833 0.000 3.146) 3.254 3.835 ( -8.522 0.000 -4.268) 9.531 4.078 ( -4.916 0.000 1.203) 5.061 4.141 ( -3.616 0.000 0.026) 3.616 4.504 ( 0.033 0.000 7.136) 7.136 4.629 ( 0.047 0.000 1.438) 1.439 5.032 ( -5.870 0.000 10.105) 11.686 5.126 ( 4.239 0.000 0.206) 4.244 5.206 ( 1.109 0.000 -4.297) 4.437 5.553 ( 1.622 0.000 -7.918) 8.082 6.212 ( 6.936 0.000 7.770) 10.415 6.456 ( 1.848 0.000 -1.905) 2.654 6.617 ( 1.077 0.000 22.796) 22.822 7.425 ( 2.826 0.000 -6.644) 7.220 7.735 ( -6.384 0.000 1.249) 6.505 8.009 ( -1.012 0.000 -5.809) 5.896 8.328 ( 4.397 0.000 11.144) 11.980 8.565 ( -2.436 0.000 0.941) 2.611 8.973 ( 5.523 0.000 6.264) 8.351 9.177 ( 4.088 0.000 -1.188) 4.257 9.540 ( 0.832 0.000 -1.779) 1.964 9.976 ( -1.496 0.000 -8.516) 8.646 10.183 ( -1.493 0.000 -13.639) 13.720 10.311 ( -0.603 0.000 1.394) 1.519 10.461 ( -7.829 0.000 4.738) 9.151 10.619 ( -3.224 0.000 2.958) 4.375 10.810 ( -1.107 0.000 -7.466) 7.548 11.019 ( 11.589 0.000 -2.567) 11.870 11.611 ( 1.908 0.000 6.800) 7.063 11.641 ( 0.199 0.000 0.179) 0.268 11.944 ( -7.385 0.000 8.247) 11.070 12.359 ( -2.523 0.000 7.064) 7.501 12.671 ( 8.283 0.000 1.189) 8.368 12.846 ( 0.150 0.000 -21.694) 21.694 13.140 ( 0.803 0.000 9.742) 9.775 13.552 ( -0.404 0.000 -15.911) 15.916 13.672 ( 2.257 0.000 2.183) 3.140 13.842 ( -3.309 0.000 -11.213) 11.691 14.065 ( -5.853 0.000 10.656) 12.158 14.730 ( 0.754 0.000 -13.872) 13.893 15.120 ( -4.061 0.000 10.230) 11.006 15.537 ( 2.846 0.000 5.211) 5.938 15.774 ( 2.453 0.000 5.473) 5.998 15.856 ( -1.895 0.000 -9.156) 9.350 16.279 ( 5.876 0.000 14.050) 15.229 16.603 ( -2.765 0.000 5.989) 6.596 16.907 ( 6.404 0.000 4.252) 7.687 17.038 ( -1.739 0.000 16.638) 16.729 17.604 ( 1.654 0.000 -6.073) 6.294 18.011 ( -0.412 0.000 -35.694) 35.696 18.676 ( 4.512 0.000 -4.121) 6.111 18.908 ( 2.495 0.000 -14.388) 14.603 19.585 ( 1.689 0.000 5.198) 5.465 19.749 ( 2.914 0.000 -2.748) 4.006 19.939 ( -0.795 0.000 -2.664) 2.780 20.022 ( -6.772 0.000 -16.694) 18.015 20.473 ( -3.732 0.000 19.614) 19.965 20.936 ( -8.484 0.000 7.039) 11.024 21.180 ( 3.454 0.000 1.846) 3.916 21.363 ( 1.240 0.000 -16.396) 16.442 21.813 ( -1.974 0.000 11.636) 11.802 22.017 ( 1.093 0.000 1.484) 1.843 23.352 ( 3.936 0.000 19.873) 20.259 23.418 ( -8.684 0.000 -8.722) 12.308 23.661 ( 9.730 0.000 6.462) 11.680 24.099 ( -3.252 0.000 -12.192) 12.618 24.151 ( 4.431 0.000 26.352) 26.722 24.697 ( 0.731 0.000 7.212) 7.249 24.958 ( 1.221 0.000 -4.741) 4.896 25.101 ( -0.640 0.000 -15.842) 15.855 25.642 ( 2.044 0.000 10.157) 10.360 26.037 ( -3.155 0.000 -6.641) 7.352 27.300 ( 8.073 0.000 13.963) 16.129 27.870 ( -1.313 0.000 -14.284) 14.344 27.890 ( -1.114 0.000 9.938) 10.000 28.377 ( 0.187 0.000 -18.837) 18.838 29.133 ( 1.375 0.000 2.079) 2.493 29.251 ( -4.396 0.000 -8.063) 9.183 29.605 ( 3.101 0.000 9.836) 10.313 29.832 ( -6.817 0.000 -9.711) 11.866 30.154 ( -1.103 0.000 4.321) 4.459 30.406 ( 0.581 0.000 -6.258) 6.285 30.934 ( -0.115 0.000 9.993) 9.994 31.397 ( 0.218 0.000 -14.509) 14.510 31.468 ( 6.072 0.000 19.495) 20.419 31.916 ( 1.277 0.000 16.033) 16.084 32.035 ( 3.951 0.000 -9.861) 10.623 32.293 ( -2.210 0.000 -6.879) 7.225 33.146 ( -2.253 0.000 -0.949) 2.444 33.231 ( 4.541 0.000 -0.895) 4.629 33.528 ( -2.155 0.000 -1.164) 2.449 33.584 ( -3.666 0.000 -5.299) 6.443 35.962 ( -6.072 0.000 49.355) 49.727 37.842 ( -1.933 0.000 -43.672) 43.715 ======================= Grid point 161 (76/136) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -13.837 0.000 1.106) 13.881 3.402 ( -11.027 0.000 3.984) 11.724 3.601 ( -9.232 0.000 -2.179) 9.485 3.673 ( -5.645 0.000 1.120) 5.755 3.968 ( -5.051 0.000 -0.563) 5.082 4.040 ( -4.711 0.000 1.478) 4.937 4.511 ( -0.724 0.000 4.741) 4.795 4.620 ( -1.044 0.000 3.553) 3.703 4.901 ( -5.575 0.000 4.486) 7.156 5.239 ( -1.966 0.000 -5.110) 5.475 5.248 ( 6.688 0.000 -0.403) 6.700 5.409 ( -12.148 0.000 0.643) 12.165 6.386 ( 9.056 0.000 5.722) 10.712 6.556 ( 7.379 0.000 -5.372) 9.127 6.724 ( 8.303 0.000 19.603) 21.289 7.494 ( -1.194 0.000 -14.577) 14.626 7.622 ( 0.813 0.000 15.778) 15.799 8.007 ( 0.784 0.000 -4.002) 4.078 8.441 ( 6.200 0.000 9.513) 11.355 8.531 ( -0.789 0.000 -0.064) 0.792 9.130 ( 8.763 0.000 6.821) 11.105 9.280 ( 5.156 0.000 -2.325) 5.656 9.544 ( 0.061 0.000 -2.625) 2.626 9.878 ( -7.762 0.000 -13.611) 15.669 10.106 ( -5.624 0.000 -8.475) 10.171 10.269 ( -9.441 0.000 1.673) 9.588 10.282 ( -2.362 0.000 -1.851) 3.001 10.546 ( -3.856 0.000 3.478) 5.193 10.765 ( -2.218 0.000 -5.645) 6.065 11.303 ( 15.829 0.000 -2.797) 16.074 11.624 ( -1.008 0.000 -0.708) 1.232 11.655 ( 1.045 0.000 -0.821) 1.330 11.853 ( -1.331 0.000 16.921) 16.973 12.291 ( -4.004 0.000 7.827) 8.792 12.824 ( 6.498 0.000 0.120) 6.499 12.871 ( 2.600 0.000 -25.633) 25.764 13.197 ( 3.088 0.000 8.930) 9.449 13.547 ( -0.013 0.000 -15.067) 15.067 13.656 ( -4.222 0.000 0.359) 4.237 13.778 ( -2.599 0.000 -12.809) 13.070 14.004 ( 1.758 0.000 13.713) 13.825 14.678 ( -5.182 0.000 -17.302) 18.061 15.065 ( -1.091 0.000 17.834) 17.867 15.559 ( -0.683 0.000 0.324) 0.756 15.824 ( 2.112 0.000 8.822) 9.071 15.894 ( 5.017 0.000 -4.211) 6.550 16.449 ( 9.733 0.000 12.816) 16.093 16.557 ( -1.858 0.000 5.774) 6.065 17.054 ( 2.502 0.000 16.351) 16.541 17.068 ( 8.500 0.000 1.876) 8.704 17.671 ( 4.808 0.000 -0.579) 4.842 17.992 ( -0.582 0.000 -36.216) 36.220 18.757 ( 3.177 0.000 -11.013) 11.462 18.940 ( 1.023 0.000 -13.093) 13.133 19.594 ( -0.506 0.000 4.507) 4.536 19.786 ( 0.228 0.000 -0.197) 0.301 19.891 ( -4.689 0.000 -17.719) 18.329 19.905 ( -2.748 0.000 -1.722) 3.243 20.411 ( -2.660 0.000 20.942) 21.110 20.780 ( -6.566 0.000 5.031) 8.272 21.221 ( 0.205 0.000 6.248) 6.251 21.359 ( -1.235 0.000 -13.504) 13.560 21.783 ( -0.630 0.000 11.531) 11.548 22.044 ( 1.814 0.000 -1.609) 2.425 23.277 ( -4.230 0.000 -11.112) 11.890 23.411 ( 1.645 0.000 28.590) 28.638 23.881 ( 10.423 0.000 1.365) 10.512 24.031 ( -2.991 0.000 -12.944) 13.285 24.270 ( 5.906 0.000 21.952) 22.733 24.718 ( 1.594 0.000 5.923) 6.134 24.987 ( 1.432 0.000 -2.121) 2.559 25.109 ( 1.693 0.000 -16.134) 16.222 25.722 ( 5.351 0.000 11.843) 12.996 25.996 ( -0.448 0.000 -4.249) 4.272 27.495 ( 10.269 0.000 12.920) 16.503 27.851 ( -2.677 0.000 10.516) 10.852 27.859 ( 0.412 0.000 -12.294) 12.300 28.351 ( -2.358 0.000 -24.725) 24.837 29.152 ( -4.669 0.000 -3.458) 5.810 29.170 ( 2.105 0.000 1.952) 2.871 29.644 ( -0.072 0.000 11.383) 11.383 29.693 ( -6.917 0.000 -9.255) 11.554 30.153 ( 1.090 0.000 4.138) 4.280 30.371 ( -2.997 0.000 -5.668) 6.412 30.940 ( 0.382 0.000 11.536) 11.542 31.452 ( 5.130 0.000 -16.057) 16.856 31.620 ( 7.747 0.000 19.054) 20.569 31.932 ( 0.074 0.000 18.192) 18.192 32.159 ( 3.741 0.000 -16.062) 16.492 32.289 ( 5.763 0.000 -4.368) 7.231 33.113 ( -1.446 0.000 -1.488) 2.075 33.313 ( 3.020 0.000 0.335) 3.039 33.436 ( -9.812 0.000 -5.425) 11.212 33.439 ( -5.569 0.000 -3.067) 6.358 35.755 ( -14.634 0.000 50.482) 52.561 37.734 ( -7.657 0.000 -46.986) 47.606 ======================= Grid point 162 (77/136) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -19.116 0.000 6.051) 20.050 2.978 ( -25.804 0.000 15.677) 30.193 3.479 ( -12.121 0.000 -4.389) 12.891 3.514 ( -2.015 0.000 -6.145) 6.467 3.864 ( -5.641 0.000 -4.945) 7.502 3.970 ( -2.668 0.000 3.458) 4.368 4.420 ( -8.297 0.000 0.948) 8.351 4.566 ( -9.532 0.000 2.516) 9.858 4.792 ( -26.938 0.000 13.401) 30.087 4.853 ( 1.522 0.000 -1.781) 2.342 5.396 ( 7.353 0.000 -1.064) 7.430 5.410 ( 4.738 0.000 1.372) 4.933 6.572 ( 8.312 0.000 2.970) 8.826 6.699 ( 4.487 0.000 -8.704) 9.793 6.942 ( 11.575 0.000 14.839) 18.820 7.397 ( -2.665 0.000 0.445) 2.702 7.768 ( 8.511 0.000 4.855) 9.798 8.031 ( 1.268 0.000 -3.343) 3.575 8.528 ( 0.189 0.000 0.132) 0.230 8.570 ( 5.396 0.000 5.269) 7.542 9.307 ( 6.815 0.000 8.916) 11.223 9.360 ( 0.996 0.000 -2.294) 2.501 9.541 ( -0.493 0.000 -4.196) 4.225 9.673 ( -9.194 0.000 -10.839) 14.213 9.959 ( -7.841 0.000 -10.056) 12.752 10.053 ( -10.117 0.000 -14.742) 17.880 10.279 ( 1.928 0.000 15.264) 15.385 10.471 ( -2.782 0.000 3.688) 4.620 10.740 ( 0.038 0.000 -5.843) 5.844 11.595 ( -0.738 0.000 -5.009) 5.063 11.651 ( 11.393 0.000 -10.917) 15.779 11.695 ( 8.181 0.000 5.891) 10.081 11.886 ( 3.662 0.000 17.951) 18.321 12.208 ( -3.448 0.000 4.105) 5.362 12.940 ( 4.462 0.000 -24.281) 24.687 12.940 ( 4.149 0.000 -0.465) 4.175 13.201 ( -3.393 0.000 4.612) 5.725 13.537 ( -0.776 0.000 -14.962) 14.982 13.591 ( -0.230 0.000 4.504) 4.510 13.713 ( -3.721 0.000 -13.991) 14.478 14.109 ( 6.227 0.000 13.060) 14.469 14.550 ( -5.478 0.000 -16.650) 17.528 15.076 ( 1.204 0.000 19.946) 19.982 15.536 ( -1.084 0.000 -0.942) 1.437 15.872 ( 2.405 0.000 11.212) 11.467 16.024 ( 7.158 0.000 -4.371) 8.387 16.526 ( -1.175 0.000 4.642) 4.788 16.654 ( 8.652 0.000 12.868) 15.506 17.134 ( 4.658 0.000 15.464) 16.151 17.238 ( 7.138 0.000 1.777) 7.356 17.797 ( 7.096 0.000 4.787) 8.560 17.976 ( -0.042 0.000 -33.161) 33.161 18.791 ( 0.121 0.000 -18.831) 18.831 18.949 ( 0.174 0.000 -12.287) 12.288 19.591 ( 0.695 0.000 4.533) 4.586 19.743 ( -3.720 0.000 3.276) 4.957 19.824 ( -4.617 0.000 1.886) 4.987 19.839 ( -0.844 0.000 -16.639) 16.660 20.360 ( -3.038 0.000 17.760) 18.018 20.661 ( -4.939 0.000 -2.150) 5.386 21.200 ( -1.862 0.000 12.021) 12.164 21.324 ( -1.117 0.000 -5.834) 5.939 21.798 ( 1.587 0.000 10.695) 10.812 22.102 ( 3.810 0.000 -6.352) 7.407 23.248 ( 1.795 0.000 -10.538) 10.689 23.441 ( 0.535 0.000 29.800) 29.805 23.974 ( -1.990 0.000 -13.461) 13.608 24.076 ( 8.178 0.000 1.317) 8.284 24.379 ( 3.513 0.000 13.655) 14.100 24.790 ( 5.752 0.000 5.920) 8.254 25.018 ( 1.932 0.000 4.154) 4.582 25.162 ( 3.828 0.000 -15.385) 15.854 25.866 ( 8.064 0.000 13.820) 16.000 26.024 ( 3.259 0.000 -2.551) 4.139 27.726 ( 11.374 0.000 13.948) 17.998 27.789 ( -3.323 0.000 10.271) 10.795 27.878 ( 1.621 0.000 -9.096) 9.240 28.268 ( -4.920 0.000 -30.173) 30.571 29.065 ( -3.573 0.000 0.777) 3.657 29.220 ( 2.631 0.000 1.435) 2.997 29.514 ( -10.539 0.000 -7.232) 12.782 29.606 ( -3.512 0.000 10.313) 10.894 30.193 ( 2.152 0.000 4.932) 5.381 30.323 ( -0.675 0.000 -6.567) 6.602 30.950 ( 0.260 0.000 12.563) 12.565 31.575 ( 6.211 0.000 -17.146) 18.236 31.785 ( 7.132 0.000 21.028) 22.205 31.937 ( 0.266 0.000 19.887) 19.888 32.119 ( -4.442 0.000 -12.208) 12.991 32.562 ( 16.980 0.000 -10.862) 20.157 33.040 ( -6.400 0.000 -1.317) 6.534 33.180 ( -13.364 0.000 -4.803) 14.201 33.355 ( -1.085 0.000 -5.327) 5.437 33.364 ( 1.008 0.000 1.833) 2.092 35.394 ( -20.520 0.000 48.814) 52.952 37.481 ( -16.518 0.000 -53.878) 56.353 ======================= Grid point 163 (78/136) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -23.120 0.000 14.212) 27.139 2.419 ( -27.102 0.000 25.585) 37.270 3.203 ( -14.028 0.000 -12.971) 19.106 3.473 ( -2.595 0.000 -11.978) 12.256 3.685 ( -11.525 0.000 -7.509) 13.755 3.861 ( -29.330 0.000 16.451) 33.629 3.927 ( -14.117 0.000 15.733) 21.138 4.249 ( -5.519 0.000 -5.891) 8.072 4.666 ( 1.449 0.000 9.152) 9.266 4.934 ( 5.440 0.000 -6.456) 8.443 5.493 ( 2.804 0.000 4.708) 5.479 5.545 ( 6.712 0.000 -0.570) 6.736 6.694 ( -3.949 0.000 -7.326) 8.322 6.713 ( 4.719 0.000 -1.498) 4.951 7.187 ( 11.033 0.000 11.345) 15.825 7.434 ( 4.450 0.000 5.420) 7.013 7.915 ( 5.058 0.000 -2.960) 5.861 8.044 ( -0.050 0.000 -5.317) 5.317 8.519 ( -1.618 0.000 2.373) 2.872 8.654 ( 2.438 0.000 -0.570) 2.503 9.225 ( -11.259 0.000 -4.679) 12.193 9.337 ( -4.656 0.000 1.916) 5.034 9.549 ( 1.164 0.000 -0.468) 1.255 9.628 ( 2.380 0.000 -1.272) 2.699 9.815 ( -3.558 0.000 -14.557) 14.986 9.839 ( -10.056 0.000 -18.735) 21.263 10.358 ( 3.468 0.000 28.174) 28.386 10.493 ( 6.659 0.000 6.594) 9.371 10.751 ( 0.718 0.000 -6.245) 6.286 11.604 ( 1.386 0.000 -6.359) 6.508 11.694 ( 0.538 0.000 -2.480) 2.538 11.910 ( -0.810 0.000 2.359) 2.494 12.010 ( 8.121 0.000 13.283) 15.569 12.287 ( 15.543 0.000 -8.856) 17.889 12.938 ( -5.380 0.000 -0.465) 5.400 13.040 ( 5.240 0.000 -18.080) 18.824 13.139 ( -0.790 0.000 2.086) 2.231 13.493 ( -3.802 0.000 -15.450) 15.911 13.627 ( -3.038 0.000 -15.054) 15.358 13.628 ( 2.683 0.000 9.213) 9.596 14.214 ( 2.615 0.000 10.287) 10.614 14.482 ( -0.453 0.000 -13.938) 13.945 15.104 ( 0.758 0.000 18.337) 18.353 15.511 ( -1.619 0.000 -2.835) 3.264 15.930 ( 2.881 0.000 12.397) 12.727 16.195 ( 9.746 0.000 -4.766) 10.849 16.514 ( 0.038 0.000 2.751) 2.752 16.782 ( 2.849 0.000 12.049) 12.382 17.249 ( 6.017 0.000 13.908) 15.154 17.346 ( 2.887 0.000 4.053) 4.976 17.957 ( 7.662 0.000 6.593) 10.108 17.982 ( 1.279 0.000 -27.450) 27.480 18.745 ( -3.918 0.000 -22.848) 23.182 18.941 ( -0.850 0.000 -12.164) 12.194 19.630 ( 1.912 0.000 -4.351) 4.753 19.656 ( -4.677 0.000 3.078) 5.599 19.757 ( 0.041 0.000 15.435) 15.435 19.808 ( -2.122 0.000 -8.007) 8.283 20.289 ( -3.742 0.000 9.693) 10.390 20.582 ( -2.141 0.000 -11.844) 12.036 21.169 ( -1.153 0.000 17.938) 17.975 21.340 ( 2.977 0.000 2.189) 3.696 21.834 ( 1.228 0.000 8.935) 9.019 22.189 ( 4.413 0.000 -11.106) 11.950 23.345 ( 7.414 0.000 -6.833) 10.082 23.438 ( -1.699 0.000 27.557) 27.609 23.955 ( 0.756 0.000 -13.387) 13.409 24.216 ( 4.567 0.000 -2.256) 5.094 24.413 ( 0.507 0.000 9.067) 9.081 24.951 ( 7.877 0.000 5.632) 9.683 25.086 ( 4.570 0.000 13.192) 13.961 25.300 ( 12.147 0.000 -13.387) 18.077 26.069 ( 11.912 0.000 17.048) 20.797 26.122 ( 5.831 0.000 -1.543) 6.032 27.721 ( -3.196 0.000 10.484) 10.960 27.919 ( 2.331 0.000 -6.770) 7.160 27.966 ( 10.901 0.000 15.021) 18.560 28.143 ( -5.922 0.000 -29.995) 30.574 29.003 ( -2.458 0.000 1.761) 3.024 29.252 ( -12.826 0.000 -2.033) 12.986 29.280 ( 1.896 0.000 -0.470) 1.954 29.523 ( -4.024 0.000 7.418) 8.440 30.222 ( 0.056 0.000 6.179) 6.179 30.348 ( 2.892 0.000 -9.547) 9.975 30.965 ( 1.364 0.000 12.452) 12.526 31.659 ( 0.680 0.000 -11.268) 11.289 31.850 ( -2.803 0.000 23.101) 23.270 32.025 ( 9.426 0.000 20.896) 22.923 32.026 ( -2.557 0.000 -13.889) 14.122 32.881 ( -7.324 0.000 -1.923) 7.572 32.884 ( -14.759 0.000 -1.102) 14.800 32.923 ( 16.717 0.000 -12.239) 20.718 33.365 ( -0.757 0.000 2.547) 2.657 33.384 ( 3.126 0.000 -4.478) 5.461 34.958 ( -21.162 0.000 37.631) 43.173 36.958 ( -34.871 0.000 -62.599) 71.656 ======================= Grid point 164 (79/136) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -24.450 0.000 27.095) 36.496 1.916 ( -20.373 0.000 35.163) 40.638 2.840 ( -20.268 0.000 1.253) 20.307 3.260 ( -15.977 0.000 -26.079) 30.584 3.277 ( -14.886 0.000 24.890) 29.002 3.569 ( 1.776 0.000 -2.301) 2.907 3.827 ( -4.057 0.000 6.872) 7.980 4.213 ( 1.382 0.000 -10.916) 11.004 4.717 ( 2.767 0.000 7.172) 7.687 5.047 ( 5.073 0.000 -9.698) 10.944 5.534 ( 1.508 0.000 9.047) 9.172 5.662 ( 4.238 0.000 0.503) 4.268 6.590 ( -4.991 0.000 -4.535) 6.743 6.753 ( -0.774 0.000 -6.418) 6.465 7.377 ( 6.312 0.000 9.444) 11.359 7.492 ( -0.319 0.000 9.910) 9.915 7.978 ( 1.609 0.000 -13.487) 13.583 8.032 ( -0.276 0.000 -10.372) 10.375 8.448 ( -5.076 0.000 4.016) 6.472 8.665 ( -1.490 0.000 -8.125) 8.260 9.038 ( -5.193 0.000 -0.986) 5.286 9.152 ( -13.323 0.000 -5.612) 14.457 9.518 ( -3.067 0.000 -2.449) 3.925 9.607 ( -2.500 0.000 -2.556) 3.575 9.676 ( -4.901 0.000 2.831) 5.660 9.889 ( 8.149 0.000 -12.149) 14.629 10.442 ( 4.753 0.000 17.034) 17.685 10.686 ( 8.501 0.000 24.918) 26.328 10.757 ( -0.191 0.000 -5.360) 5.363 11.643 ( 2.882 0.000 -5.926) 6.590 11.698 ( 0.149 0.000 -3.150) 3.154 11.765 ( -10.298 0.000 2.418) 10.578 12.216 ( 10.605 0.000 8.272) 13.449 12.658 ( 14.760 0.000 -17.139) 22.619 12.765 ( -10.126 0.000 3.257) 10.637 13.130 ( 3.545 0.000 -14.352) 14.783 13.131 ( -0.827 0.000 1.212) 1.468 13.378 ( -4.704 0.000 -11.683) 12.595 13.632 ( 3.842 0.000 -14.207) 14.717 13.698 ( 4.084 0.000 10.107) 10.900 14.202 ( -3.748 0.000 7.906) 8.750 14.512 ( 3.068 0.000 -12.138) 12.520 15.110 ( -0.353 0.000 14.297) 14.301 15.461 ( -2.863 0.000 -5.769) 6.440 15.993 ( 2.781 0.000 13.793) 14.070 16.436 ( 13.254 0.000 -3.210) 13.637 16.529 ( 1.266 0.000 -0.366) 1.318 16.767 ( -4.579 0.000 10.146) 11.131 17.353 ( -2.319 0.000 7.585) 7.932 17.387 ( 6.923 0.000 11.386) 13.325 18.009 ( 1.421 0.000 -20.399) 20.448 18.083 ( 3.144 0.000 -0.394) 3.169 18.649 ( -3.717 0.000 -16.833) 17.238 18.901 ( -2.774 0.000 -13.785) 14.062 19.556 ( -4.583 0.000 2.279) 5.118 19.640 ( 0.566 0.000 -8.695) 8.713 19.765 ( -0.988 0.000 0.688) 1.204 19.846 ( 4.726 0.000 18.731) 19.318 20.239 ( -0.073 0.000 0.035) 0.081 20.560 ( -0.419 0.000 -15.953) 15.959 21.163 ( 0.193 0.000 22.250) 22.251 21.443 ( 6.417 0.000 6.551) 9.170 21.838 ( -1.276 0.000 6.435) 6.560 22.266 ( 2.908 0.000 -14.939) 15.220 23.377 ( -4.570 0.000 24.022) 24.452 23.523 ( 8.873 0.000 -1.841) 9.062 24.005 ( 4.193 0.000 -13.482) 14.119 24.191 ( -6.828 0.000 -10.202) 12.276 24.496 ( 7.301 0.000 12.831) 14.763 25.038 ( 0.534 0.000 -2.974) 3.022 25.200 ( 5.229 0.000 20.590) 21.244 25.669 ( 17.003 0.000 -9.749) 19.599 26.248 ( 5.859 0.000 -0.441) 5.875 26.474 ( 29.351 0.000 10.905) 31.311 27.661 ( -3.056 0.000 10.485) 10.921 27.938 ( -1.751 0.000 -14.727) 14.831 28.089 ( 6.037 0.000 -9.254) 11.049 28.160 ( 6.241 0.000 15.179) 16.412 28.966 ( -1.006 0.000 -0.945) 1.380 28.968 ( -12.399 0.000 -0.951) 12.435 29.340 ( 2.938 0.000 1.472) 3.287 29.465 ( -1.121 0.000 3.463) 3.640 30.188 ( -3.454 0.000 7.151) 7.941 30.415 ( 3.277 0.000 -11.657) 12.109 31.046 ( 7.208 0.000 12.020) 14.015 31.580 ( -6.867 0.000 0.423) 6.880 31.730 ( -8.299 0.000 16.975) 18.895 32.040 ( 3.274 0.000 -19.408) 19.682 32.344 ( 23.118 0.000 25.019) 34.065 32.600 ( -10.484 0.000 4.639) 11.465 32.767 ( -3.495 0.000 -1.019) 3.641 33.180 ( 5.431 0.000 -4.366) 6.968 33.371 ( 3.035 0.000 -1.563) 3.414 33.463 ( 4.372 0.000 -2.801) 5.192 34.585 ( -13.836 0.000 15.530) 20.800 35.877 ( -69.694 0.000 -56.000) 89.405 ======================= Grid point 165 (80/136) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 4.939 16.178 34.728) 38.629 1.926 ( -3.588 22.851 31.329) 38.942 2.768 ( -4.471 15.562 6.146) 17.318 3.036 ( -5.634 6.799 -18.764) 20.738 3.297 ( -1.202 13.298 9.136) 16.179 3.648 ( 3.019 -2.673 -0.108) 4.033 3.780 ( 1.995 3.077 3.775) 5.263 4.227 ( 3.073 -4.068 -8.776) 10.149 4.683 ( -0.298 -6.514 4.996) 8.215 5.068 ( 2.238 -3.231 -11.102) 11.777 5.590 ( 0.509 -1.088 7.782) 7.874 5.734 ( 1.311 1.018 1.736) 2.402 6.478 ( -0.763 -3.845 -3.951) 5.566 6.584 ( -2.015 -9.042 -6.353) 11.233 7.333 ( 0.500 -0.374 6.550) 6.579 7.698 ( -1.264 10.651 8.205) 13.505 7.758 ( -5.017 -9.245 -12.438) 16.289 8.109 ( 7.926 -3.330 -6.584) 10.828 8.334 ( -4.976 -13.251 -2.685) 14.407 8.559 ( -0.346 3.071 -11.131) 11.552 8.812 ( -9.885 5.163 8.010) 13.731 9.193 ( 2.054 5.710 -2.077) 6.414 9.439 ( -3.663 -5.037 7.439) 9.702 9.576 ( 2.018 2.148 0.769) 3.046 9.699 ( -0.395 11.789 0.198) 11.797 9.890 ( 3.312 -7.295 -0.640) 8.037 10.589 ( -0.940 -3.327 26.073) 26.301 10.874 ( 7.285 14.836 -4.322) 17.084 10.970 ( 2.439 12.769 9.503) 16.103 11.545 ( -12.325 1.406 0.767) 12.429 11.606 ( 0.214 -3.989 -0.249) 4.003 11.825 ( 2.253 5.175 -9.180) 10.776 12.359 ( -4.031 -2.033 -1.200) 4.671 12.519 ( 4.225 -8.381 8.310) 12.536 12.677 ( -8.049 -3.158 -16.719) 18.823 13.038 ( 2.918 -15.409 -17.283) 23.338 13.141 ( -0.868 2.643 3.732) 4.655 13.407 ( 2.358 2.810 -11.772) 12.331 13.762 ( 4.174 5.369 5.372) 8.666 13.868 ( 4.898 5.651 0.844) 7.526 14.262 ( -3.129 11.133 4.808) 12.524 14.652 ( 3.749 6.525 -9.603) 12.200 15.086 ( 2.351 -2.853 9.094) 9.816 15.365 ( -3.879 -5.412 -5.748) 8.796 15.933 ( 6.778 -6.366 8.148) 12.363 16.383 ( -10.248 -12.028 0.853) 15.824 16.576 ( 6.023 -5.802 -1.113) 8.437 16.850 ( 1.304 8.031 -0.485) 8.151 17.046 ( -4.629 -16.353 10.060) 19.749 17.423 ( 5.522 -10.824 5.145) 13.196 17.871 ( 0.379 -3.410 -9.914) 10.491 18.160 ( -2.251 5.776 0.675) 6.236 18.769 ( -0.147 8.658 -15.245) 17.532 18.944 ( -6.619 7.807 -13.285) 16.771 19.434 ( 4.064 -9.396 13.720) 17.118 19.617 ( -2.845 3.043 0.208) 4.171 19.722 ( -0.297 2.362 1.810) 2.990 20.075 ( -0.930 8.934 -5.267) 10.413 20.221 ( 3.096 -3.237 -0.451) 4.502 20.427 ( -3.601 -7.410 -13.536) 15.846 21.191 ( 1.726 0.358 19.440) 19.519 21.612 ( 6.174 0.531 5.701) 8.420 21.774 ( -3.046 -0.865 9.329) 9.852 22.301 ( 0.545 -0.111 -15.064) 15.075 23.323 ( -3.220 3.829 19.709) 20.334 23.697 ( 5.401 0.387 4.185) 6.844 23.934 ( -8.837 -0.195 -5.435) 10.376 24.274 ( 0.568 11.395 -19.011) 22.172 24.712 ( 5.430 3.473 10.292) 12.144 24.936 ( -2.392 -5.037 -0.795) 5.633 25.181 ( 0.437 -4.656 19.281) 19.840 25.844 ( -1.280 1.192 -8.001) 8.190 26.328 ( 4.237 -2.616 -1.137) 5.108 26.487 ( -5.342 -24.715 -7.207) 26.293 27.429 ( -6.674 -13.319 10.524) 18.240 27.721 ( 4.787 -18.678 -0.780) 19.297 28.221 ( 1.962 7.938 4.071) 9.134 28.527 ( 1.122 9.753 -10.538) 14.402 28.983 ( 0.571 6.025 -1.211) 6.172 29.116 ( 4.127 10.211 -6.218) 12.648 29.456 ( 3.800 6.661 4.237) 8.761 29.655 ( 3.020 13.470 -9.563) 16.793 30.116 ( -1.723 1.013 6.821) 7.108 30.458 ( 0.722 -1.450 -10.370) 10.496 31.273 ( 12.341 -1.549 9.293) 15.526 31.339 ( -8.035 -8.053 4.224) 12.135 31.598 ( -5.035 4.395 10.832) 12.728 32.124 ( 2.590 -0.866 -8.284) 8.722 32.500 ( 2.125 -3.731 8.936) 9.914 32.652 ( -1.341 -7.241 -2.063) 7.647 32.867 ( 17.552 -9.137 5.056) 20.424 33.123 ( 1.739 -1.700 -5.653) 6.154 33.269 ( -25.475 -2.525 4.667) 26.021 33.640 ( 4.587 7.480 -10.645) 13.796 34.469 ( -2.991 2.922 6.160) 7.445 34.744 ( -0.059 10.909 -9.703) 14.600 ======================= Grid point 166 (81/136) ======================= q-point: ( 0.09 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 10.225 16.639 27.295) 33.562 2.257 ( 26.708 15.108 28.405) 41.814 2.837 ( 11.491 10.033 7.092) 16.823 3.060 ( 8.803 9.115 -14.881) 19.545 3.362 ( 6.528 11.662 1.691) 13.471 3.694 ( 3.118 -3.698 6.202) 7.865 3.921 ( 9.628 5.381 -1.589) 11.143 4.314 ( 5.431 -4.734 -7.463) 10.373 4.667 ( -1.128 -7.953 4.157) 9.045 5.083 ( -0.715 -3.037 -9.640) 10.132 5.555 ( -4.028 -1.547 6.412) 7.729 5.696 ( -4.654 1.919 1.184) 5.171 6.516 ( 2.581 -6.570 -3.469) 7.865 6.543 ( -1.606 -7.127 -4.142) 8.398 7.309 ( -3.155 1.688 6.511) 7.429 7.662 ( -3.279 -9.474 -8.989) 13.465 7.734 ( 4.279 7.274 6.272) 10.515 8.272 ( 0.403 -12.455 -0.243) 12.464 8.368 ( 13.399 -3.102 -8.639) 16.241 8.531 ( -3.102 10.602 1.525) 11.151 8.643 ( -5.163 7.438 6.514) 11.154 9.239 ( 2.455 6.797 -3.460) 8.012 9.362 ( -3.288 -7.000 13.208) 15.306 9.623 ( 2.526 0.450 -0.387) 2.595 9.708 ( 1.268 8.933 -3.311) 9.611 9.962 ( 3.109 -6.424 -6.086) 9.379 10.543 ( -2.880 -2.069 17.347) 17.706 10.920 ( -3.913 18.626 3.702) 19.389 11.033 ( 3.279 9.458 6.197) 11.773 11.317 ( -8.723 -1.798 -3.842) 9.700 11.610 ( -0.147 -6.245 1.503) 6.425 11.870 ( 2.545 3.370 -6.262) 7.553 12.103 ( -14.016 -4.812 0.907) 14.847 12.440 ( -11.987 -0.802 -7.756) 14.300 12.770 ( 12.531 -6.701 0.086) 14.211 13.042 ( -2.728 -12.008 -13.338) 18.154 13.139 ( 1.346 -2.572 -0.468) 2.941 13.482 ( 4.012 3.807 -10.247) 11.644 13.755 ( -3.488 6.015 -1.388) 7.091 13.961 ( 1.868 5.423 0.583) 5.765 14.207 ( -1.838 11.837 2.121) 12.166 14.721 ( 2.885 6.709 -8.373) 11.110 15.168 ( 4.921 -1.633 6.460) 8.284 15.319 ( -0.194 -10.313 -0.147) 10.316 16.013 ( -3.295 -12.629 3.516) 13.517 16.182 ( -4.470 -0.263 4.770) 6.542 16.611 ( -2.955 -1.064 -10.584) 11.040 16.892 ( 2.331 -1.117 3.237) 4.142 16.940 ( -5.509 -15.498 13.148) 21.057 17.562 ( 7.375 -13.367 3.027) 15.564 17.832 ( -3.779 2.331 -4.034) 5.999 18.103 ( -3.432 6.439 -4.709) 8.685 18.714 ( -4.999 7.008 1.590) 8.754 18.821 ( -3.977 7.248 -20.392) 22.004 19.477 ( -0.427 -6.091 10.584) 12.219 19.570 ( -2.599 -0.213 2.204) 3.414 19.726 ( 2.485 4.587 1.176) 5.348 20.067 ( 0.562 1.956 -6.148) 6.476 20.331 ( 6.503 4.358 -0.704) 7.860 20.359 ( -1.236 -7.218 -11.392) 13.542 21.214 ( 0.076 1.050 16.293) 16.327 21.682 ( -0.630 -1.806 8.909) 9.112 21.764 ( 3.033 1.167 5.613) 6.486 22.280 ( -2.148 1.072 -14.173) 14.375 23.236 ( -5.411 5.257 12.803) 14.860 23.727 ( -9.837 1.824 0.935) 10.048 23.787 ( 3.217 -2.691 8.227) 9.235 24.272 ( -0.762 5.840 -17.705) 18.659 24.734 ( -3.865 -2.282 9.563) 10.564 24.895 ( -1.552 3.387 -2.103) 4.278 25.111 ( -6.440 -3.817 16.112) 17.766 25.698 ( -11.744 -0.273 -8.431) 14.460 26.205 ( -14.658 -14.545 1.708) 20.720 26.403 ( 2.702 -2.028 0.482) 3.413 27.249 ( -9.514 -9.773 7.603) 15.615 27.817 ( 1.419 -15.649 3.085) 16.013 28.166 ( -5.873 12.198 0.993) 13.574 28.523 ( 0.572 2.978 -12.425) 12.790 29.003 ( 2.833 2.020 -3.728) 5.100 29.150 ( -0.327 5.373 -0.805) 5.443 29.466 ( -1.500 1.416 -0.326) 2.089 29.752 ( 5.230 18.573 -7.979) 20.880 30.122 ( 0.540 0.543 1.371) 1.570 30.489 ( 2.255 -1.664 -7.544) 8.048 31.226 ( -3.936 -7.807 4.051) 9.636 31.468 ( 4.030 3.872 15.723) 16.687 31.540 ( 1.963 6.379 1.779) 6.907 32.179 ( -5.851 -7.222 17.271) 19.613 32.313 ( -9.659 -3.282 -0.326) 10.207 32.684 ( 7.286 2.033 2.354) 7.922 32.761 ( -6.745 -7.875 -3.504) 10.945 32.963 ( -4.519 0.146 -2.598) 5.215 33.311 ( 4.326 6.684 3.613) 8.743 33.656 ( -2.331 14.441 -5.899) 15.773 34.596 ( 13.375 -5.450 15.418) 21.126 35.603 ( 58.891 -16.425 -42.732) 74.592 ======================= Grid point 167 (82/136) ======================= q-point: ( 0.18 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 20.136 10.810 16.870) 28.406 2.739 ( 18.470 11.194 22.539) 31.216 3.150 ( 14.743 -1.298 -6.074) 15.998 3.397 ( 17.647 7.228 -12.651) 22.884 3.558 ( 13.176 5.370 1.954) 14.362 3.852 ( 14.104 0.509 9.320) 16.913 4.126 ( 9.675 5.782 -1.106) 11.325 4.449 ( 7.390 -3.871 -2.060) 8.593 4.650 ( -0.174 -7.551 3.045) 8.144 5.035 ( -3.493 -2.065 -5.962) 7.212 5.447 ( -5.883 -0.470 5.228) 7.885 5.570 ( -6.908 0.812 0.996) 7.026 6.464 ( -5.494 -7.809 0.187) 9.550 6.558 ( 0.145 -5.224 -1.892) 5.558 7.203 ( -6.463 6.366 6.504) 11.163 7.607 ( -1.649 -11.098 -12.177) 16.558 7.847 ( 4.190 7.106 8.847) 12.097 8.304 ( 0.009 -9.449 4.225) 10.350 8.384 ( -3.469 0.633 6.802) 7.661 8.537 ( -1.949 14.420 -2.220) 14.719 8.744 ( 13.841 4.497 0.605) 14.566 9.303 ( -2.408 -8.509 10.737) 13.910 9.309 ( 4.190 6.531 -0.744) 7.795 9.643 ( -1.357 3.716 -4.102) 5.699 9.792 ( 7.413 -1.804 -3.155) 8.256 10.014 ( 2.227 -4.627 -11.955) 13.011 10.499 ( -1.379 -1.741 10.917) 11.141 10.782 ( -7.707 12.371 9.097) 17.181 11.057 ( -1.067 11.278 1.873) 11.482 11.162 ( -7.173 -3.519 -11.281) 13.824 11.583 ( -2.484 -7.362 3.563) 8.548 11.807 ( -11.326 -1.667 -2.600) 11.739 11.979 ( 5.819 1.294 -1.386) 6.120 12.260 ( -4.351 -0.902 -0.012) 4.444 12.897 ( -6.180 -5.987 -7.028) 11.110 12.959 ( -0.342 -17.407 -5.828) 18.359 13.183 ( 2.608 -2.116 -0.095) 3.360 13.545 ( 2.076 5.174 -6.695) 8.712 13.706 ( 0.398 8.867 -9.654) 13.114 13.944 ( -2.164 5.837 0.418) 6.239 14.176 ( -1.344 12.748 0.529) 12.829 14.762 ( 1.181 6.273 -6.904) 9.402 15.249 ( 1.940 -5.313 3.478) 6.640 15.366 ( 4.247 -7.702 6.876) 11.164 15.820 ( -10.723 -15.911 0.822) 19.204 16.182 ( 0.073 4.558 0.205) 4.564 16.490 ( -7.419 1.960 -7.735) 10.896 16.836 ( -4.554 -14.531 14.712) 21.174 16.909 ( -1.182 -4.274 5.087) 6.748 17.702 ( 3.644 -8.878 -13.637) 16.675 17.728 ( -4.782 0.970 18.856) 19.477 18.020 ( -3.028 7.643 -14.078) 16.302 18.585 ( -6.747 3.278 11.230) 13.505 18.782 ( 0.480 9.196 -23.767) 25.488 19.443 ( -2.525 -7.952 8.865) 12.174 19.536 ( 0.164 6.782 -2.515) 7.235 19.805 ( 3.945 2.893 0.225) 4.898 20.101 ( 2.637 -8.101 -7.086) 11.081 20.345 ( 2.302 -1.998 -7.472) 8.070 20.514 ( 8.360 4.494 3.194) 10.015 21.213 ( 0.248 4.275 9.407) 10.336 21.668 ( -0.619 -2.842 10.879) 11.261 21.819 ( 1.435 2.934 2.204) 3.941 22.211 ( -4.056 2.460 -9.718) 10.815 23.117 ( -5.534 3.706 2.925) 7.274 23.560 ( -5.757 3.689 10.200) 12.280 23.838 ( 1.169 -5.924 8.925) 10.775 24.205 ( -6.103 -5.030 -12.624) 14.897 24.628 ( -4.832 2.234 10.638) 11.896 24.789 ( -7.910 4.371 0.222) 9.040 25.024 ( -1.619 -0.180 4.155) 4.463 25.444 ( -10.589 -2.841 -4.902) 12.009 25.966 ( -9.080 -6.077 3.970) 11.625 26.424 ( -1.141 -1.420 -3.798) 4.212 27.080 ( -5.982 -3.941 11.135) 13.240 27.760 ( -5.276 -11.901 8.112) 15.338 28.115 ( 1.276 7.056 -4.356) 8.390 28.514 ( -1.478 5.794 -16.996) 18.017 29.068 ( 2.302 2.765 -1.909) 4.072 29.163 ( 2.193 -2.504 1.581) 3.685 29.446 ( 0.018 1.662 -4.032) 4.361 29.871 ( 6.033 14.308 -6.449) 16.814 30.101 ( -2.029 -4.406 -0.121) 4.853 30.540 ( 2.385 5.501 -3.950) 7.180 31.133 ( -4.883 -3.603 7.212) 9.425 31.495 ( -0.552 5.715 20.468) 21.258 31.640 ( 5.174 7.572 -8.854) 12.747 31.927 ( -9.135 -0.709 31.103) 32.425 32.387 ( 4.375 -12.323 -12.181) 17.871 32.594 ( -9.448 -7.394 -12.566) 17.374 32.855 ( 8.284 2.283 0.994) 8.650 32.981 ( 5.851 3.359 -1.811) 6.986 33.322 ( -0.996 13.820 8.219) 16.110 33.591 ( -2.768 13.812 -5.454) 15.105 34.955 ( 19.116 -10.276 33.247) 39.703 36.620 ( 37.603 -27.466 -55.036) 72.093 ======================= Grid point 168 (83/136) ======================= q-point: ( 0.27 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 21.756 5.614 7.496) 23.686 3.085 ( 14.580 6.496 13.668) 21.014 3.440 ( 13.487 -0.874 -2.133) 13.683 3.613 ( 6.791 5.106 -5.894) 10.340 3.823 ( 10.482 -0.282 -3.797) 11.152 4.146 ( 6.472 -1.923 -4.595) 8.166 4.406 ( 15.444 -1.189 4.764) 16.206 4.601 ( 7.399 -0.517 1.950) 7.669 4.699 ( 6.778 -2.834 1.925) 7.595 4.953 ( -3.627 -2.494 2.178) 4.911 5.327 ( -5.500 -0.063 3.032) 6.281 5.429 ( -6.308 -1.083 0.465) 6.417 6.305 ( -9.155 -6.604 4.490) 12.149 6.537 ( -1.817 -1.773 -0.687) 2.630 7.065 ( -6.787 8.810 10.987) 15.633 7.588 ( -0.075 -10.993 -17.539) 20.699 7.859 ( -2.891 6.969 6.790) 10.150 8.169 ( -7.516 -0.547 15.382) 17.128 8.459 ( 0.720 1.040 -6.582) 6.702 8.514 ( 4.205 9.971 0.951) 10.863 8.989 ( 8.092 4.983 8.763) 12.927 9.222 ( -4.282 -3.654 12.691) 13.883 9.455 ( 7.381 3.608 -3.186) 8.812 9.603 ( -0.192 4.605 -5.166) 6.923 9.972 ( 8.985 -6.646 -2.275) 11.405 10.053 ( 1.892 -5.432 -13.294) 14.485 10.493 ( 0.518 -1.838 5.146) 5.489 10.659 ( -3.464 6.713 8.359) 11.266 10.988 ( -6.575 0.763 -12.589) 14.223 11.024 ( -3.238 10.495 -3.446) 11.511 11.525 ( -3.172 -6.439 10.813) 12.978 11.634 ( -4.185 -3.016 -5.556) 7.581 12.132 ( 7.790 2.017 2.240) 8.353 12.231 ( 0.418 -5.153 0.710) 5.219 12.661 ( -13.274 -8.850 -6.795) 17.340 12.925 ( -3.538 -13.673 -4.175) 14.728 13.225 ( 1.073 -0.972 2.252) 2.678 13.556 ( -1.220 1.247 -5.685) 5.947 13.738 ( 1.119 4.595 -11.447) 12.385 13.937 ( 2.722 12.196 -2.219) 12.692 14.165 ( 0.703 13.693 2.689) 13.972 14.766 ( -0.525 6.488 -6.837) 9.440 15.267 ( 0.174 -6.683 5.533) 8.677 15.429 ( -0.496 -4.308 4.241) 6.066 15.651 ( -3.860 -13.739 3.429) 14.677 16.138 ( -4.236 -2.879 -13.827) 14.745 16.336 ( -6.529 5.729 5.067) 10.056 16.757 ( -3.375 -12.224 15.330) 19.895 16.849 ( -4.359 -4.264 4.846) 7.789 17.557 ( -9.337 6.058 11.939) 16.322 17.746 ( -1.168 -3.597 -7.793) 8.662 18.028 ( 3.539 3.268 -17.838) 18.477 18.470 ( -3.887 -0.457 12.479) 13.079 18.808 ( 2.068 10.200 -24.488) 26.608 19.406 ( -0.908 -5.849 6.171) 8.551 19.563 ( 2.181 5.534 -3.479) 6.891 19.876 ( 2.745 1.352 -0.868) 3.181 20.149 ( 1.809 -11.066 -11.946) 16.384 20.456 ( 7.891 -1.247 1.619) 8.152 20.636 ( 2.507 -1.501 6.430) 7.063 21.263 ( 4.869 10.813 1.864) 12.004 21.632 ( -3.857 -1.969 5.275) 6.825 21.837 ( 0.925 4.309 4.757) 6.485 22.114 ( -4.882 3.184 -4.233) 7.204 23.040 ( -1.204 1.707 -3.166) 3.793 23.492 ( -1.427 3.798 16.398) 16.892 23.827 ( -2.530 -8.119 6.368) 10.624 24.025 ( -9.677 -12.601 -1.493) 15.958 24.544 ( -4.579 8.620 6.139) 11.531 24.667 ( -2.439 2.255 0.243) 3.330 24.998 ( -1.401 1.021 -0.206) 1.746 25.279 ( -5.469 -3.309 -3.335) 7.210 25.805 ( -6.733 -2.470 2.366) 7.552 26.354 ( -4.806 -0.621 -10.572) 11.629 27.016 ( -1.012 -1.400 17.854) 17.937 27.670 ( -2.869 -12.585 7.046) 14.706 28.164 ( 2.491 5.072 -5.102) 7.613 28.467 ( -2.079 11.389 -18.696) 21.990 29.097 ( 0.883 0.604 -1.804) 2.098 29.220 ( 2.730 -3.679 2.812) 5.376 29.461 ( 1.060 0.076 -5.713) 5.811 29.936 ( -1.311 -4.032 -9.755) 10.637 30.109 ( 4.418 2.749 2.897) 5.955 30.561 ( -0.830 12.025 -2.702) 12.353 31.049 ( -2.767 -0.273 8.248) 8.704 31.455 ( -3.647 4.384 23.953) 24.622 31.692 ( -1.095 5.458 -10.045) 11.485 31.828 ( -0.970 1.699 16.970) 17.082 32.320 ( -9.383 -7.249 -9.246) 15.036 32.452 ( -3.892 -9.442 -12.758) 16.342 33.006 ( 4.521 0.658 0.449) 4.591 33.143 ( 8.396 1.882 0.510) 8.620 33.338 ( 2.408 12.715 7.431) 14.923 33.589 ( 4.335 17.821 -7.103) 19.668 35.355 ( 17.566 -12.121 43.318) 48.291 37.189 ( 19.963 -25.613 -50.299) 59.871 ======================= Grid point 169 (84/136) ======================= q-point: ( 0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 15.655 2.724 1.378) 15.949 3.334 ( 8.758 2.473 5.710) 10.744 3.708 ( 11.968 -0.658 -0.909) 12.020 3.727 ( 4.314 5.201 -0.979) 6.828 4.007 ( 7.330 -1.364 -3.402) 8.196 4.193 ( -0.236 1.109 -3.138) 3.336 4.537 ( 1.258 -5.102 3.392) 6.254 4.659 ( -1.915 -0.152 0.070) 1.922 4.921 ( 0.776 -5.357 9.373) 10.824 5.003 ( 16.277 -3.544 -1.871) 16.763 5.228 ( -3.858 -1.854 0.113) 4.282 5.312 ( -5.084 -1.040 1.115) 5.308 6.133 ( -6.269 -4.460 6.886) 10.325 6.479 ( -4.254 0.189 -0.978) 4.369 6.935 ( -5.457 8.510 14.287) 17.502 7.563 ( -3.081 -6.941 -21.826) 23.109 7.790 ( -1.794 6.055 8.872) 10.890 8.065 ( -2.558 -4.845 14.665) 15.655 8.421 ( -2.476 16.927 -7.614) 18.725 8.613 ( 2.583 0.124 1.298) 2.894 9.040 ( -1.809 6.126 9.942) 11.818 9.195 ( 0.697 0.504 16.113) 16.136 9.495 ( -0.084 6.552 -8.097) 10.417 9.738 ( 9.424 -2.133 -0.560) 9.679 10.061 ( -0.167 -7.405 -11.878) 13.998 10.156 ( 7.282 -6.220 -2.907) 10.008 10.526 ( 2.563 -2.618 2.514) 4.443 10.650 ( 2.360 5.457 2.858) 6.597 10.886 ( -2.417 0.700 -13.664) 13.894 10.968 ( -2.651 13.870 -0.882) 14.149 11.479 ( -0.721 -5.761 11.197) 12.613 11.605 ( 0.217 -3.894 -3.423) 5.189 12.224 ( -1.363 -9.291 -1.121) 9.457 12.272 ( 1.796 -1.884 6.291) 6.809 12.423 ( -5.088 -3.868 -5.218) 8.251 12.834 ( -4.691 -11.887 -2.713) 13.064 13.224 ( -1.256 0.674 2.108) 2.545 13.512 ( -2.049 -3.165 -7.932) 8.782 13.731 ( -0.691 5.037 -6.196) 8.015 14.030 ( 4.308 13.530 -7.428) 16.025 14.201 ( 1.930 10.468 8.524) 13.637 14.752 ( -0.139 7.299 -8.594) 11.276 15.268 ( -0.268 -1.550 4.730) 4.985 15.345 ( -5.043 -11.875 6.332) 14.372 15.661 ( 2.757 -4.750 2.275) 5.945 16.010 ( -7.072 -8.405 -21.363) 24.022 16.239 ( -3.039 5.366 12.916) 14.313 16.691 ( -3.925 -12.120 3.488) 13.209 16.765 ( -2.455 -0.611 14.861) 15.074 17.362 ( -9.156 6.238 16.303) 19.711 17.700 ( -2.433 2.986 -14.261) 14.772 18.091 ( 2.052 4.077 -20.172) 20.682 18.447 ( 1.474 -4.438 9.613) 10.690 18.849 ( 2.417 7.810 -23.439) 24.824 19.410 ( 1.028 -5.287 6.356) 8.331 19.619 ( 3.122 2.662 -3.709) 5.531 19.915 ( 0.957 -0.495 -1.701) 2.013 20.170 ( 0.480 -6.870 -14.364) 15.929 20.618 ( 0.424 4.665 12.603) 13.445 20.648 ( 5.650 -12.873 1.565) 14.145 21.393 ( 6.107 10.658 -5.002) 13.263 21.507 ( -7.274 5.661 0.448) 9.229 21.861 ( 0.654 3.551 10.561) 11.161 22.024 ( -3.080 1.795 -1.901) 4.040 23.076 ( 4.522 -0.008 -3.306) 5.602 23.492 ( 0.886 3.184 18.339) 18.635 23.725 ( -7.514 -8.418 1.423) 11.373 23.863 ( -4.863 -15.138 7.933) 17.769 24.442 ( -4.771 8.907 2.596) 10.433 24.664 ( 1.024 1.855 4.040) 4.561 24.971 ( -0.911 1.071 -3.217) 3.511 25.195 ( -2.897 -1.942 -3.896) 5.229 25.687 ( -4.591 -1.118 1.868) 5.081 26.246 ( -4.948 0.764 -13.151) 14.071 27.024 ( 1.208 -3.080 19.494) 19.773 27.647 ( 0.143 -11.967 5.062) 12.995 28.190 ( -0.112 7.882 -6.030) 9.925 28.439 ( -0.037 11.120 -18.125) 21.264 29.110 ( 0.534 0.069 0.285) 0.609 29.274 ( 2.152 -2.570 -0.569) 3.400 29.473 ( 0.334 -2.414 -3.281) 4.087 29.866 ( -3.955 -12.442 -7.359) 14.987 30.232 ( 6.138 3.655 -0.590) 7.168 30.495 ( -5.144 12.499 -1.753) 13.630 31.031 ( 0.557 4.611 7.989) 9.241 31.378 ( -3.415 1.562 23.607) 23.904 31.618 ( -4.776 3.737 -8.397) 10.358 31.847 ( 1.592 3.847 8.794) 9.729 32.125 ( -8.455 -5.300 -7.837) 12.688 32.370 ( -3.252 -5.995 -9.447) 11.651 33.055 ( 1.375 -0.371 1.496) 2.066 33.220 ( -1.381 -4.246 -1.315) 4.655 33.450 ( 7.900 11.529 7.265) 15.752 33.754 ( 9.256 22.997 -8.951) 26.357 35.675 ( 11.715 -12.624 46.225) 49.329 37.484 ( 10.242 -22.658 -44.824) 51.259 ======================= Grid point 170 (85/136) ======================= q-point: ( 0.45 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 7.222 1.506 -0.008) 7.377 3.444 ( 1.622 1.022 0.994) 2.159 3.782 ( 0.792 5.259 1.663) 5.573 3.899 ( 5.066 0.377 -3.855) 6.377 4.120 ( 2.890 -1.709 -2.191) 4.009 4.163 ( -1.938 1.315 -0.681) 2.439 4.534 ( -1.412 -1.265 5.088) 5.429 4.599 ( -2.176 -2.292 1.825) 3.649 4.969 ( 3.013 -5.123 9.283) 11.022 5.147 ( -3.668 -3.254 1.652) 5.174 5.213 ( -2.449 -0.791 0.056) 2.574 5.297 ( 9.957 -7.652 -6.855) 14.307 6.078 ( 0.898 -3.373 7.314) 8.104 6.359 ( -6.175 -1.926 1.793) 6.712 6.863 ( -1.805 8.683 10.945) 14.088 7.465 ( -4.298 -1.542 -13.329) 14.090 7.806 ( 2.001 3.759 4.642) 6.299 8.052 ( -0.006 -3.643 10.832) 11.428 8.360 ( -2.834 14.477 -3.490) 15.159 8.617 ( -1.433 1.144 3.288) 3.765 9.037 ( 2.013 10.058 6.003) 11.885 9.194 ( -0.425 4.137 9.923) 10.759 9.510 ( 0.846 1.717 -5.452) 5.778 9.896 ( 4.909 -3.125 1.171) 5.936 10.044 ( -0.417 -9.373 -10.113) 13.795 10.260 ( 2.347 -6.796 -4.179) 8.316 10.555 ( -0.803 1.148 6.543) 6.692 10.769 ( 7.930 2.934 -5.714) 10.205 10.857 ( -0.481 4.857 -8.765) 10.032 10.914 ( -2.107 10.591 -2.598) 11.106 11.497 ( 1.549 -5.112 8.178) 9.767 11.620 ( 1.474 -3.421 -1.697) 4.093 12.075 ( -9.521 -5.870 3.353) 11.676 12.273 ( 0.590 -9.131 2.029) 9.372 12.498 ( 6.896 -1.288 0.690) 7.049 12.741 ( -3.924 -10.762 -2.676) 11.764 13.182 ( -2.390 1.823 0.482) 3.045 13.484 ( -0.405 -4.243 -12.822) 13.512 13.735 ( 1.248 7.184 0.947) 7.353 14.060 ( -1.231 12.543 -9.402) 15.724 14.213 ( -1.829 5.901 12.935) 14.334 14.773 ( 2.327 6.804 -9.796) 12.152 15.206 ( -4.818 -2.696 2.176) 5.934 15.326 ( 2.211 -9.492 12.195) 15.611 15.729 ( 3.667 -0.489 -2.415) 4.418 15.854 ( -7.212 -8.040 -17.466) 20.535 16.213 ( 0.338 1.315 11.506) 11.586 16.610 ( -2.701 -9.619 -4.577) 10.990 16.774 ( 2.590 -0.046 20.169) 20.334 17.200 ( -6.490 6.885 18.225) 20.535 17.652 ( -1.592 5.001 -15.121) 16.006 18.103 ( -0.111 5.681 -22.882) 23.577 18.515 ( 4.233 -6.085 3.261) 8.098 18.897 ( 2.627 3.981 -20.149) 20.706 19.433 ( 0.453 -7.305 6.863) 10.033 19.690 ( 3.805 0.004 -4.621) 5.986 19.913 ( -1.142 -1.704 -1.708) 2.669 20.165 ( -0.435 0.098 -14.714) 14.721 20.554 ( -3.826 -1.371 11.121) 11.840 20.805 ( 6.557 -8.399 4.280) 11.483 21.304 ( -9.520 5.011 1.519) 10.865 21.524 ( 3.934 15.217 -10.367) 18.828 21.851 ( -1.963 1.033 13.210) 13.395 22.002 ( 0.741 1.107 -0.013) 1.332 23.204 ( 6.882 -1.813 2.254) 7.465 23.531 ( -0.456 -1.358 13.416) 13.493 23.549 ( -5.421 -4.032 -1.199) 6.862 23.827 ( 0.848 -14.877 12.166) 19.237 24.353 ( -3.740 8.205 3.958) 9.848 24.693 ( 1.563 1.519 6.169) 6.543 24.965 ( 0.557 1.918 -5.079) 5.458 25.145 ( -1.848 -0.178 -7.375) 7.605 25.618 ( -2.017 -1.375 3.726) 4.455 26.150 ( -3.894 2.273 -12.879) 13.645 27.077 ( 3.578 -6.495 17.844) 19.323 27.660 ( 0.653 -10.007 3.013) 10.471 28.165 ( -1.774 10.883 -6.144) 12.623 28.448 ( 0.902 8.243 -17.755) 19.596 29.120 ( 0.250 0.374 2.905) 2.939 29.288 ( -0.884 -2.309 -6.188) 6.664 29.488 ( 1.028 -4.067 3.621) 5.542 29.792 ( -2.473 -11.665 -8.481) 14.633 30.341 ( 3.075 2.979 -1.613) 4.575 30.375 ( -4.660 8.423 -0.705) 9.651 31.055 ( 1.163 9.115 8.371) 12.430 31.355 ( 1.175 -1.364 20.880) 20.958 31.519 ( -3.925 5.155 -9.910) 11.840 31.875 ( -0.198 1.403 9.866) 9.967 31.998 ( -2.075 -3.709 -7.047) 8.229 32.318 ( -1.711 -2.718 -8.552) 9.135 33.090 ( 2.075 -3.259 0.771) 3.940 33.166 ( -2.769 -3.750 -0.583) 4.698 33.585 ( 3.880 10.669 5.261) 12.513 33.900 ( 4.180 24.139 -9.301) 26.205 35.845 ( 3.313 -12.675 46.518) 48.328 37.615 ( 3.598 -20.970 -41.761) 46.869 ======================= Grid point 171 (86/136) ======================= q-point: (-0.45 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -6.129 0.658 -0.355) 6.175 3.461 ( 1.395 0.450 0.167) 1.476 3.765 ( -2.331 3.508 1.984) 4.656 3.880 ( -6.606 3.992 -3.509) 8.479 4.072 ( -5.439 -0.214 0.389) 5.457 4.151 ( -1.440 1.315 -0.484) 2.010 4.506 ( -0.751 -0.051 5.906) 5.953 4.596 ( 1.164 -3.313 1.945) 4.014 4.978 ( -4.275 -5.129 9.325) 11.469 5.114 ( 3.180 -1.309 0.168) 3.443 5.197 ( 0.960 -0.879 -3.767) 3.985 5.438 ( 1.893 -10.314 -5.537) 11.859 6.153 ( 5.358 -4.746 7.602) 10.442 6.291 ( 1.031 -3.134 2.541) 4.164 6.855 ( 0.747 7.490 7.529) 10.647 7.427 ( 1.334 -0.875 -6.656) 6.844 7.827 ( -1.366 9.128 3.971) 10.048 8.043 ( -0.042 -1.224 3.649) 3.849 8.331 ( 0.088 8.347 4.190) 9.340 8.595 ( 0.031 2.286 5.858) 6.289 9.109 ( 4.058 11.744 2.157) 12.611 9.215 ( 2.652 2.620 2.603) 4.547 9.504 ( -1.193 -2.053 -0.921) 2.547 9.920 ( -2.090 -3.636 -5.048) 6.562 10.053 ( 0.227 -8.713 -1.134) 8.789 10.245 ( -3.718 -10.522 -6.861) 13.100 10.501 ( -3.935 6.279 2.355) 7.775 10.781 ( -3.552 11.602 -6.505) 13.767 10.879 ( -1.528 6.319 -5.087) 8.255 10.997 ( 10.796 -1.333 -2.702) 11.208 11.526 ( 1.121 -4.590 3.353) 5.794 11.669 ( 2.823 -1.543 -2.652) 4.169 11.907 ( -6.216 -3.490 9.356) 11.762 12.291 ( 0.652 -5.866 5.636) 8.161 12.643 ( 5.720 -8.403 -4.093) 10.958 12.690 ( 0.563 -6.978 -2.196) 7.337 13.142 ( -1.103 0.678 -0.663) 1.455 13.485 ( 0.586 -4.732 -15.087) 15.822 13.758 ( -0.352 7.737 3.475) 8.489 14.011 ( -2.069 12.312 -8.947) 15.360 14.131 ( -5.194 5.055 14.243) 15.981 14.821 ( 1.631 6.332 -9.086) 11.194 15.111 ( -4.275 -1.765 4.875) 6.720 15.389 ( 3.030 -9.531 12.048) 15.658 15.714 ( -5.550 -8.501 -12.006) 15.723 15.814 ( 4.470 0.614 -5.305) 6.964 16.266 ( 4.676 -0.974 9.839) 10.937 16.594 ( 1.016 -5.765 -3.391) 6.765 16.871 ( 5.956 -0.399 17.552) 18.539 17.112 ( -2.228 5.950 18.032) 19.119 17.634 ( 0.263 4.962 -13.954) 14.812 18.088 ( -0.692 5.877 -24.883) 25.577 18.604 ( 3.939 -6.498 -3.374) 8.314 18.948 ( 2.597 1.312 -16.109) 16.370 19.418 ( -2.098 -10.426 6.880) 12.666 19.767 ( 3.193 -1.990 -8.216) 9.037 19.872 ( -2.300 -0.836 1.449) 2.845 20.151 ( -0.596 7.181 -14.997) 16.638 20.483 ( -3.159 -0.337 12.385) 12.786 20.909 ( 3.254 -10.828 2.379) 11.553 21.114 ( -8.370 10.155 5.624) 14.311 21.575 ( 1.185 12.006 -10.907) 16.264 21.791 ( -3.553 -1.752 12.590) 13.199 22.029 ( 1.317 1.479 1.594) 2.542 23.313 ( 0.951 -4.369 11.032) 11.904 23.387 ( -3.702 -2.489 -4.023) 6.007 23.639 ( 6.630 -2.376 7.294) 10.140 23.894 ( 4.969 -11.732 7.541) 14.806 24.295 ( -1.741 7.469 8.262) 11.273 24.728 ( 1.538 2.287 7.546) 8.033 24.986 ( 1.055 2.160 -3.840) 4.531 25.120 ( 0.048 1.563 -13.731) 13.820 25.607 ( 0.976 -2.902 7.566) 8.162 26.079 ( -2.673 3.322 -11.407) 12.178 27.184 ( 6.364 -9.795 15.543) 19.443 27.666 ( -0.215 -8.694 2.010) 8.926 28.125 ( -1.854 11.596 -4.498) 12.576 28.454 ( -0.163 6.676 -20.310) 21.380 29.109 ( -1.679 -1.956 2.309) 3.461 29.262 ( -0.665 0.638 -4.347) 4.444 29.483 ( -2.088 -8.188 5.467) 10.064 29.784 ( 1.852 -5.237 -8.688) 10.312 30.253 ( -4.909 7.674 1.676) 9.263 30.419 ( 2.359 1.822 -1.663) 3.413 31.077 ( 0.636 11.074 9.340) 14.501 31.417 ( 2.852 -1.157 8.387) 8.934 31.485 ( 2.380 4.040 -1.147) 4.827 31.853 ( -0.699 -4.492 10.858) 11.772 32.040 ( 4.892 0.394 -7.971) 9.361 32.290 ( -0.765 -0.315 -8.176) 8.218 33.118 ( -0.492 -2.851 -0.432) 2.925 33.145 ( 1.818 -5.314 0.329) 5.626 33.596 ( -2.978 10.263 4.167) 11.470 33.913 ( -2.590 24.355 -9.408) 26.237 35.827 ( -6.117 -12.725 47.030) 49.103 37.619 ( -2.326 -20.860 -41.538) 46.539 ======================= Grid point 172 (87/136) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( -12.915 1.615 0.806) 13.041 3.425 ( -6.389 0.937 2.727) 7.010 3.626 ( -13.109 3.465 1.444) 13.636 3.708 ( -6.056 3.303 -1.722) 7.110 3.941 ( -6.168 -1.545 -0.811) 6.410 4.091 ( -3.901 4.218 0.682) 5.786 4.497 ( -1.019 -1.312 4.125) 4.447 4.617 ( 0.482 -0.612 3.116) 3.212 4.876 ( -4.372 -2.572 4.055) 6.494 5.201 ( -1.944 -4.021 -5.083) 6.767 5.237 ( 4.150 -0.953 -0.490) 4.286 5.346 ( -6.519 -5.739 2.263) 8.975 6.290 ( 7.721 -6.749 6.901) 12.361 6.402 ( 8.206 -4.416 -1.652) 9.464 6.890 ( 2.061 2.882 7.200) 8.024 7.513 ( 6.473 -1.399 -5.554) 8.643 7.751 ( -4.195 18.179 7.650) 20.164 8.100 ( 5.176 -6.772 -0.236) 8.527 8.332 ( -0.743 10.327 5.068) 11.527 8.638 ( 3.541 1.897 7.279) 8.314 9.177 ( 2.172 4.571 -0.484) 5.084 9.295 ( 4.365 0.793 1.379) 4.646 9.490 ( 0.644 -2.432 4.451) 5.113 9.819 ( -7.867 -4.106 -6.320) 10.894 10.011 ( -4.645 -6.997 0.768) 8.433 10.120 ( -6.621 -12.546 -11.779) 18.439 10.409 ( -4.818 9.275 -0.927) 10.493 10.693 ( -4.610 11.778 -3.417) 13.102 10.848 ( -0.783 7.314 -4.719) 8.740 11.248 ( 13.174 -4.476 -2.240) 14.093 11.551 ( 1.343 -3.489 -1.244) 3.940 11.710 ( 1.139 0.042 -6.323) 6.425 11.848 ( 0.704 0.082 15.220) 15.236 12.286 ( -1.387 -0.245 8.021) 8.144 12.702 ( 3.715 -14.259 -13.092) 19.711 12.796 ( 5.717 -3.235 -1.163) 6.671 13.144 ( 1.293 -3.192 0.058) 3.444 13.484 ( -0.958 -6.255 -12.198) 13.742 13.688 ( -5.378 7.595 -0.839) 9.344 13.978 ( -1.918 13.252 -6.970) 15.096 14.084 ( 1.653 5.433 14.805) 15.857 14.810 ( -2.895 8.907 -11.955) 15.187 15.036 ( -2.661 -0.989 11.136) 11.492 15.448 ( 2.396 -10.288 11.965) 15.960 15.634 ( -1.644 -9.606 -8.737) 13.089 15.909 ( 4.721 -1.020 -5.803) 7.550 16.405 ( 7.875 -3.806 10.030) 13.308 16.633 ( 2.308 0.352 0.695) 2.436 17.013 ( 6.782 -1.263 14.300) 15.877 17.116 ( 2.099 2.445 14.300) 14.659 17.657 ( 2.090 2.699 -11.637) 12.127 18.069 ( -0.397 6.138 -23.876) 24.655 18.672 ( 2.813 -6.537 -11.047) 13.141 18.999 ( 2.672 0.305 -11.814) 12.116 19.358 ( -3.382 -11.753 8.212) 14.731 19.776 ( -2.195 -1.740 -8.688) 9.128 19.859 ( 1.022 1.321 2.235) 2.790 20.129 ( -1.280 10.734 -17.143) 20.267 20.428 ( -2.592 0.350 13.325) 13.579 20.942 ( -0.442 -8.737 1.957) 8.964 20.968 ( -5.290 8.755 7.090) 12.446 21.542 ( -4.447 7.964 -2.713) 9.517 21.758 ( 0.925 -1.302 9.568) 9.701 22.054 ( 1.290 1.206 0.212) 1.778 23.246 ( -2.781 -3.085 -6.827) 7.991 23.404 ( 1.183 -0.721 18.924) 18.974 23.802 ( 8.459 -6.829 2.619) 11.183 24.006 ( 4.867 -4.522 -4.219) 7.870 24.299 ( 2.196 5.411 15.067) 16.159 24.762 ( 1.827 3.594 6.990) 8.070 24.986 ( -1.014 0.196 -1.900) 2.163 25.158 ( 3.873 3.702 -16.426) 17.278 25.663 ( 4.140 -4.992 11.318) 13.045 26.040 ( -0.669 3.264 -9.377) 9.952 27.343 ( 8.379 -13.132 13.648) 20.710 27.655 ( -0.722 -8.055 3.426) 8.783 28.088 ( -1.465 11.773 -3.158) 12.277 28.424 ( -2.370 5.977 -24.921) 25.737 29.058 ( -2.770 -3.935 0.671) 4.859 29.266 ( 0.810 3.391 1.091) 3.653 29.421 ( -3.493 -9.951 2.369) 10.809 29.824 ( 1.067 1.288 -5.523) 5.771 30.169 ( -2.977 4.714 2.133) 5.970 30.452 ( 1.052 5.921 0.461) 6.031 31.080 ( -0.517 11.242 9.418) 14.675 31.479 ( 4.350 1.056 -9.069) 10.113 31.603 ( 6.943 -0.756 14.361) 15.969 31.855 ( 0.214 -5.958 15.578) 16.680 32.161 ( 4.588 0.851 -15.206) 15.906 32.312 ( 5.528 1.466 -6.501) 8.659 33.112 ( -0.388 -0.473 -1.557) 1.673 33.174 ( 0.030 -7.419 1.474) 7.564 33.477 ( -7.575 9.727 2.898) 12.665 33.807 ( -6.572 23.503 -9.033) 26.022 35.618 ( -14.672 -12.869 47.845) 51.672 37.496 ( -8.874 -22.263 -44.118) 50.208 ======================= Grid point 173 (88/136) ======================= q-point: (-0.27 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -17.681 3.915 4.729) 18.717 3.093 ( -23.254 9.974 13.769) 28.806 3.404 ( -9.567 -3.677 -2.580) 10.569 3.586 ( -4.847 3.991 -6.442) 8.995 3.829 ( -5.375 -2.449 -4.288) 7.298 3.995 ( -5.257 2.056 2.075) 6.014 4.422 ( -6.732 -0.456 1.730) 6.966 4.606 ( -4.009 2.310 0.759) 4.688 4.793 ( -24.030 0.157 10.108) 26.070 4.842 ( -1.221 -0.227 -1.238) 1.753 5.367 ( 6.252 -3.383 0.951) 7.172 5.399 ( 6.309 -0.959 1.242) 6.501 6.458 ( 7.457 -8.091 4.046) 11.723 6.581 ( 7.750 -6.324 -8.125) 12.887 6.925 ( 1.578 -3.064 9.595) 10.195 7.638 ( 4.073 6.255 -14.130) 15.980 7.747 ( 4.958 14.067 18.550) 23.803 8.214 ( 2.897 -16.693 3.097) 17.223 8.319 ( 1.770 19.468 -2.513) 19.709 8.700 ( 1.221 -0.354 2.232) 2.568 9.210 ( 1.314 -5.555 4.824) 7.474 9.364 ( 0.510 -0.648 1.911) 2.081 9.519 ( 0.678 0.037 1.881) 2.000 9.600 ( -10.927 -5.395 -4.264) 12.910 9.860 ( -8.036 -9.948 -1.014) 12.829 10.043 ( -0.399 -4.890 -15.987) 16.723 10.304 ( -4.685 7.242 7.045) 11.136 10.609 ( -2.633 12.305 -1.367) 12.658 10.854 ( 1.237 9.663 -4.986) 10.944 11.490 ( 6.778 -7.218 -2.217) 10.147 11.627 ( 9.017 -3.820 -1.654) 9.932 11.740 ( 2.141 2.628 -5.812) 6.728 11.916 ( 4.515 3.072 9.630) 11.071 12.254 ( -0.591 3.563 4.618) 5.862 12.805 ( 6.092 -11.832 -13.685) 19.089 12.888 ( 2.845 -5.004 -3.925) 6.967 13.169 ( -0.056 -4.029 -0.663) 4.083 13.435 ( -2.433 -7.340 -2.369) 8.087 13.599 ( -2.768 6.697 -5.629) 9.176 13.936 ( -1.902 13.766 -7.343) 15.717 14.162 ( 4.498 4.311 12.506) 13.972 14.707 ( -5.714 11.466 -12.645) 18.001 15.017 ( 0.296 -3.484 16.584) 16.949 15.496 ( 1.841 -8.538 8.170) 11.960 15.637 ( 1.794 -8.268 -5.543) 10.115 16.010 ( 5.327 -4.248 -5.950) 9.046 16.569 ( 7.021 -7.417 11.760) 15.576 16.680 ( 2.094 6.169 4.703) 8.035 17.131 ( 3.737 -1.204 10.559) 11.266 17.190 ( 4.254 -3.517 8.408) 10.058 17.710 ( 3.050 -2.130 -9.654) 10.346 18.071 ( 1.349 7.128 -16.932) 18.421 18.719 ( 2.078 -4.430 -19.434) 20.041 19.051 ( 2.341 0.462 -8.549) 8.875 19.299 ( -2.119 -11.115 11.113) 15.860 19.721 ( -2.486 0.922 -3.038) 4.032 19.867 ( -0.722 3.039 -2.096) 3.761 20.091 ( -1.795 10.169 -16.565) 19.520 20.369 ( -3.401 -0.448 9.730) 10.317 20.823 ( -7.773 13.860 2.280) 16.054 20.969 ( 2.050 -13.044 6.620) 14.771 21.442 ( -3.777 4.642 5.426) 8.078 21.803 ( 2.277 1.200 10.472) 10.784 22.098 ( 3.222 -0.250 -4.513) 5.551 23.241 ( 2.648 -1.092 -7.225) 7.772 23.418 ( -0.124 -0.974 20.630) 20.654 23.980 ( 8.298 -5.739 -0.831) 10.123 24.075 ( 2.254 2.942 -7.343) 8.225 24.384 ( 4.786 2.752 14.889) 15.879 24.817 ( 3.471 2.702 5.107) 6.740 24.959 ( -0.968 -2.022 0.589) 2.318 25.263 ( 6.593 5.432 -14.308) 16.664 25.782 ( 6.983 -6.967 14.084) 17.195 26.054 ( 2.270 1.763 -7.007) 7.574 27.518 ( 6.694 -17.079 11.973) 21.906 27.650 ( 1.224 -7.144 5.914) 9.355 28.068 ( -0.180 12.129 -2.171) 12.323 28.344 ( -4.622 5.877 -27.827) 28.814 29.008 ( -2.007 -2.769 1.477) 3.725 29.290 ( 1.342 1.059 2.381) 2.932 29.340 ( -4.370 -5.334 0.604) 6.922 29.804 ( -2.891 9.107 -1.958) 9.754 30.137 ( -0.095 0.249 1.030) 1.064 30.470 ( 0.595 9.108 1.137) 9.198 31.062 ( -1.321 9.207 9.053) 12.980 31.582 ( 4.798 -0.661 -10.982) 12.003 31.747 ( 5.922 -3.275 18.780) 19.962 31.863 ( 0.524 -5.966 17.014) 18.037 32.166 ( -1.902 4.993 -13.554) 14.569 32.558 ( 15.798 -0.363 -11.006) 19.257 33.061 ( -6.365 0.656 0.936) 6.467 33.090 ( -7.801 -3.862 -3.171) 9.264 33.371 ( -0.928 6.831 3.215) 7.606 33.673 ( -5.464 20.429 -7.093) 22.305 35.260 ( -19.897 -12.479 45.688) 51.372 37.211 ( -18.328 -24.826 -49.019) 57.924 ======================= Grid point 174 (89/136) ======================= q-point: (-0.18 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -22.491 6.642 12.979) 26.803 2.587 ( -23.763 14.385 21.130) 34.901 3.185 ( -10.762 -1.488 -9.794) 14.627 3.514 ( -2.682 3.442 -10.379) 11.259 3.653 ( -11.939 -1.536 -7.799) 14.343 3.889 ( -5.662 -0.543 3.036) 6.447 4.053 ( -31.689 13.149 21.841) 40.670 4.275 ( -6.894 1.790 -2.268) 7.475 4.656 ( 0.577 -1.666 7.042) 7.260 4.904 ( 4.593 -1.231 -7.670) 9.024 5.481 ( 4.435 -3.051 5.189) 7.477 5.536 ( 6.525 -0.019 0.525) 6.546 6.576 ( 3.441 -10.247 -0.568) 10.824 6.639 ( -2.097 -4.943 -9.227) 10.675 7.038 ( 9.436 -5.169 8.600) 13.775 7.702 ( 2.591 10.902 -7.934) 13.730 7.874 ( 4.428 5.454 9.583) 11.882 8.162 ( -5.391 -7.938 5.951) 11.291 8.434 ( 6.013 9.277 -9.914) 14.849 8.669 ( -4.264 -5.245 -1.579) 6.942 9.196 ( -6.153 -6.134 3.644) 9.422 9.236 ( -6.885 -4.143 -3.474) 8.754 9.494 ( -0.932 -6.354 -0.538) 6.445 9.517 ( 0.358 -0.470 -0.195) 0.622 9.735 ( -3.666 -5.945 0.809) 7.031 10.008 ( -4.975 6.459 -18.947) 20.627 10.315 ( 7.252 -2.938 27.427) 28.521 10.606 ( 2.614 13.844 -1.055) 14.128 10.882 ( 1.410 10.905 -4.050) 11.718 11.562 ( 2.365 -4.005 -4.249) 6.300 11.759 ( 0.996 4.086 1.922) 4.624 11.898 ( 12.856 -6.543 -1.236) 14.478 11.950 ( -3.023 3.641 0.854) 4.809 12.357 ( 11.416 3.406 -7.458) 14.055 12.880 ( -3.701 -5.612 -1.890) 6.983 12.941 ( 6.236 -9.519 -11.382) 16.095 13.133 ( -2.367 -1.740 -2.556) 3.894 13.419 ( 0.152 -7.110 1.303) 7.230 13.563 ( -0.049 5.804 -6.302) 8.567 13.887 ( -2.782 13.642 -6.003) 15.162 14.257 ( 3.930 4.345 10.082) 11.661 14.605 ( -3.193 9.322 -9.799) 13.896 15.038 ( 1.002 -4.477 15.954) 16.600 15.512 ( -0.777 -6.196 1.740) 6.483 15.697 ( 3.809 -6.199 -1.017) 7.346 16.145 ( 8.229 -7.476 -5.755) 12.519 16.672 ( 0.941 -9.083 12.694) 15.637 16.727 ( 3.343 9.120 6.445) 11.657 17.165 ( -0.560 -5.023 5.314) 7.334 17.273 ( 3.325 -7.575 5.435) 9.898 17.773 ( 3.149 -6.789 -10.591) 12.968 18.122 ( 3.393 7.726 -4.647) 9.633 18.745 ( 0.835 0.987 -25.094) 25.127 19.084 ( 0.731 3.029 -8.527) 9.078 19.290 ( 1.178 -11.320 13.517) 17.670 19.682 ( -1.045 2.214 0.143) 2.452 19.818 ( -3.874 5.669 -3.261) 7.601 20.061 ( -0.429 6.857 -9.582) 11.790 20.296 ( -3.709 -0.383 4.001) 5.469 20.648 ( -8.157 6.970 -5.848) 12.220 21.041 ( 4.296 -7.549 13.152) 15.762 21.414 ( 1.003 4.197 8.449) 9.487 21.837 ( 0.553 0.998 11.671) 11.726 22.181 ( 4.551 -1.068 -9.481) 10.571 23.348 ( 6.550 -1.023 1.932) 6.905 23.414 ( 0.207 0.511 14.820) 14.831 24.082 ( 0.894 8.583 -10.713) 13.756 24.167 ( 6.960 -4.496 -2.761) 8.734 24.470 ( 3.149 5.452 11.148) 12.803 24.902 ( 3.766 -7.133 7.750) 11.186 24.982 ( 4.047 1.053 2.815) 5.041 25.447 ( 12.247 6.471 -12.092) 18.387 25.960 ( 10.105 -9.387 16.845) 21.771 26.127 ( 4.642 -0.459 -4.761) 6.666 27.547 ( -2.219 -13.028 8.425) 15.672 27.761 ( 5.953 -15.520 6.955) 18.019 28.088 ( 2.155 12.753 -0.736) 12.955 28.251 ( -1.907 8.430 -23.669) 25.197 28.967 ( -2.221 -0.518 0.572) 2.351 29.228 ( -5.276 -1.333 -1.635) 5.682 29.336 ( 2.087 3.141 4.194) 5.640 29.723 ( -4.171 14.907 0.283) 15.483 30.159 ( 1.633 -2.184 1.246) 2.998 30.471 ( -0.466 8.071 -1.902) 8.305 31.037 ( -0.875 5.434 8.973) 10.526 31.630 ( -0.846 -3.176 -6.395) 7.190 31.782 ( -3.301 -6.128 20.607) 21.751 31.953 ( 7.957 -6.092 18.439) 20.986 32.133 ( 0.456 9.634 -14.622) 17.516 32.798 ( -9.208 -4.075 -4.410) 10.992 32.882 ( 2.322 -0.219 0.635) 2.418 32.981 ( 2.035 3.706 -10.018) 10.874 33.400 ( 2.360 5.387 4.900) 7.655 33.579 ( -3.658 14.302 -4.571) 15.454 34.858 ( -18.161 -9.046 34.001) 39.595 36.659 ( -35.314 -26.574 -53.283) 69.227 ======================= Grid point 175 (90/136) ======================= q-point: (-0.09 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -20.378 11.224 25.467) 34.493 2.161 ( -17.345 19.140 27.503) 37.731 2.957 ( -11.123 6.255 -12.550) 17.898 3.283 ( -16.783 6.430 -13.034) 22.202 3.444 ( -12.481 12.714 17.416) 24.914 3.598 ( -2.019 3.828 1.444) 4.562 3.819 ( -4.018 -0.487 6.574) 7.720 4.199 ( -0.587 -1.373 -6.623) 6.790 4.676 ( 0.788 -4.084 5.839) 7.169 5.000 ( 4.355 -2.405 -10.722) 11.821 5.552 ( 2.482 -0.680 7.794) 8.208 5.660 ( 5.112 -0.191 1.635) 5.371 6.545 ( -4.466 -4.026 -5.761) 8.328 6.615 ( -0.386 -10.701 -4.657) 11.677 7.244 ( 8.272 -3.067 4.329) 9.827 7.726 ( -0.434 9.143 -1.326) 9.249 7.878 ( -4.523 -0.542 -1.732) 4.874 8.059 ( -2.591 -7.429 -0.010) 7.868 8.464 ( -5.043 -3.220 -4.870) 7.715 8.571 ( -1.768 -1.722 -8.969) 9.303 9.018 ( -9.250 -1.887 -0.498) 9.454 9.167 ( -0.440 -0.193 -2.263) 2.313 9.486 ( -0.962 -5.190 2.909) 6.027 9.538 ( 1.599 -0.526 -1.063) 1.991 9.706 ( 0.172 1.735 2.144) 2.763 9.886 ( -4.104 4.492 -5.002) 7.877 10.514 ( 7.946 -5.532 31.821) 33.261 10.712 ( 7.195 14.297 -2.131) 16.147 10.915 ( 2.098 12.100 -0.516) 12.292 11.597 ( 0.975 -3.682 -2.767) 4.708 11.757 ( -3.349 3.170 0.930) 4.704 11.817 ( -5.630 6.591 -4.900) 9.957 12.171 ( 12.571 -3.960 3.904) 13.746 12.600 ( 5.957 -5.514 -14.386) 16.517 12.746 ( -5.659 -3.727 -7.010) 9.750 13.017 ( -0.267 -11.403 -8.515) 14.234 13.117 ( 2.103 0.620 1.642) 2.740 13.408 ( -1.089 -0.680 -6.848) 6.967 13.627 ( 6.109 5.693 -1.227) 8.440 13.832 ( -1.387 9.645 0.595) 9.763 14.303 ( -0.208 7.900 8.269) 11.438 14.588 ( 1.823 6.532 -9.808) 11.924 15.058 ( 0.665 -4.060 12.544) 13.201 15.458 ( -4.146 -3.532 -4.780) 7.247 15.795 ( 5.742 -7.386 5.132) 10.671 16.347 ( 10.496 -9.332 -6.836) 15.620 16.607 ( -6.539 -7.403 11.491) 15.152 16.808 ( 3.207 8.639 4.466) 10.240 17.124 ( -3.065 -12.466 5.328) 13.899 17.336 ( 3.001 -9.130 4.847) 10.763 17.834 ( 2.852 -7.303 -11.772) 14.144 18.178 ( 1.110 6.487 2.526) 7.050 18.755 ( 1.035 6.767 -24.027) 24.983 19.058 ( -3.374 6.916 -10.527) 13.040 19.346 ( 3.572 -11.220 13.342) 17.795 19.674 ( -0.860 2.186 2.297) 3.286 19.731 ( -2.851 5.204 -2.265) 6.352 20.075 ( 1.341 6.131 -4.314) 7.615 20.220 ( -2.989 -0.276 1.234) 3.246 20.511 ( -4.706 -2.418 -12.098) 13.205 21.132 ( 3.630 -2.318 17.804) 18.318 21.483 ( 5.231 2.473 7.409) 9.400 21.827 ( -1.764 -0.300 10.275) 10.430 22.264 ( 3.246 -0.814 -13.098) 13.519 23.370 ( -1.899 0.188 22.487) 22.568 23.549 ( 8.670 1.805 -0.947) 8.907 24.062 ( -3.053 3.506 -8.412) 9.611 24.261 ( 1.758 6.357 -16.038) 17.341 24.566 ( 6.679 6.124 12.512) 15.449 24.955 ( 0.898 -9.619 6.205) 11.482 25.102 ( 5.804 -1.486 10.283) 11.901 25.739 ( 12.069 3.365 -11.801) 17.212 26.228 ( 6.056 -2.778 -1.540) 6.839 26.267 ( 18.469 -16.651 10.566) 27.018 27.494 ( -2.303 -12.691 8.710) 15.563 27.763 ( -5.362 -18.339 -1.935) 19.204 28.150 ( 3.582 11.631 1.468) 12.259 28.359 ( 12.045 12.169 -10.395) 20.030 28.929 ( 0.092 5.326 -2.489) 5.879 29.129 ( -3.960 5.327 -1.468) 6.799 29.381 ( 2.356 4.375 5.090) 7.113 29.655 ( -1.986 15.155 -1.422) 15.350 30.168 ( -1.585 -1.065 5.206) 5.546 30.459 ( -0.350 3.497 -8.529) 9.225 31.068 ( 5.074 0.816 9.504) 10.804 31.530 ( -8.445 -5.865 3.137) 10.750 31.691 ( -4.468 -2.349 13.832) 14.724 32.089 ( 2.634 -0.565 -0.416) 2.725 32.293 ( 17.747 0.130 5.263) 18.511 32.558 ( -9.093 -2.814 4.238) 10.419 32.798 ( -4.872 3.011 -1.460) 5.911 33.141 ( 3.157 -2.561 -2.646) 4.850 33.449 ( 1.803 5.974 4.559) 7.728 33.545 ( 1.763 5.447 -9.368) 10.979 34.571 ( -9.289 -0.690 14.296) 17.062 35.663 ( -58.174 -17.636 -42.608) 74.234 ======================= Grid point 176 (91/136) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 4.364 20.136 21.433) 29.730 2.468 ( -1.696 27.326 18.772) 33.196 2.936 ( -1.338 1.488 -6.160) 6.477 3.290 ( -2.705 12.597 -17.614) 21.823 3.576 ( 0.904 -1.957 1.570) 2.667 3.615 ( -4.802 8.549 2.849) 10.211 3.959 ( 2.595 16.018 8.729) 18.426 4.129 ( 1.886 -3.186 -0.097) 3.704 4.538 ( -0.458 -5.895 7.814) 9.799 5.065 ( 0.812 3.373 -13.231) 13.678 5.465 ( 0.313 -10.768 7.750) 13.270 5.697 ( 0.469 -5.828 -1.233) 5.975 6.409 ( -1.223 -1.603 -5.468) 5.828 6.430 ( 0.316 -3.780 -2.561) 4.577 7.343 ( 0.961 -1.772 2.404) 3.137 7.587 ( -3.194 -11.440 -8.695) 14.720 7.774 ( -2.348 -3.028 3.063) 4.905 7.923 ( 0.241 -9.804 -1.709) 9.955 8.203 ( 1.485 5.763 2.882) 6.613 8.600 ( 0.021 0.775 -11.592) 11.618 8.853 ( -1.447 -3.246 11.898) 12.417 9.091 ( -0.138 -10.295 7.043) 12.474 9.477 ( -0.499 2.322 -2.304) 3.309 9.608 ( 2.857 0.998 -6.068) 6.781 9.935 ( 3.035 13.429 6.686) 15.305 10.059 ( -2.792 21.365 -1.420) 21.593 10.554 ( 0.752 1.072 23.219) 23.256 11.087 ( 7.183 2.861 6.374) 10.021 11.194 ( -0.467 6.733 -4.897) 8.338 11.531 ( -4.014 -2.794 2.368) 5.434 11.650 ( -6.100 7.847 -1.465) 10.046 11.960 ( -3.648 6.127 -11.682) 13.686 12.235 ( -12.457 -11.239 -0.695) 16.792 12.345 ( 10.406 -5.447 1.813) 11.884 12.540 ( 2.240 -13.009 -16.646) 21.245 12.686 ( -3.680 -10.798 -11.795) 16.409 13.258 ( 0.388 9.026 6.366) 11.052 13.502 ( 4.581 6.918 -3.809) 9.130 13.920 ( 0.805 7.484 4.659) 8.853 14.016 ( 5.592 6.895 0.792) 8.913 14.464 ( -3.620 8.049 6.919) 11.214 14.772 ( 3.741 1.524 -4.286) 5.890 15.019 ( 2.689 -2.330 7.803) 8.576 15.226 ( -2.842 -6.246 -5.301) 8.672 15.809 ( -0.899 -8.443 -0.542) 8.508 16.064 ( 0.209 -16.180 -4.759) 16.866 16.504 ( 3.318 -0.370 7.254) 7.986 16.730 ( -1.591 -7.475 6.169) 9.822 16.908 ( -4.242 -4.205 -9.224) 10.989 17.201 ( 3.990 -8.772 2.637) 9.991 17.957 ( 3.766 8.627 -11.684) 15.004 18.246 ( -3.349 1.846 3.405) 5.120 18.857 ( -1.872 -5.683 0.248) 5.989 18.901 ( -1.596 -2.990 -5.010) 6.049 19.432 ( -2.292 7.644 2.472) 8.355 19.685 ( -1.364 0.294 -5.797) 5.962 19.808 ( 0.999 4.999 1.554) 5.329 20.087 ( 1.491 -5.609 -11.285) 12.690 20.191 ( 2.036 2.213 4.149) 5.125 20.430 ( -3.839 6.050 -7.238) 10.184 21.188 ( 3.409 -0.442 14.083) 14.496 21.568 ( 2.714 -4.935 3.345) 6.551 21.779 ( -2.331 2.479 11.757) 12.240 22.255 ( 1.415 -4.731 -10.790) 11.866 23.412 ( -1.561 4.660 19.787) 20.388 23.680 ( 2.362 -2.175 7.738) 8.378 23.995 ( -7.034 5.321 -2.849) 9.269 24.428 ( 0.137 -1.254 -16.373) 16.421 24.766 ( -0.164 7.035 10.903) 12.977 24.923 ( 3.178 3.446 0.960) 4.785 25.148 ( -0.931 1.288 7.742) 7.904 25.842 ( -2.536 -3.985 -15.854) 16.543 26.007 ( -0.300 -16.866 3.698) 17.269 26.235 ( 4.142 -6.805 -5.778) 9.841 27.147 ( -4.330 -10.923 10.320) 15.639 27.363 ( 2.749 -14.439 0.564) 14.709 28.407 ( 0.733 8.639 0.787) 8.706 28.692 ( 4.475 2.634 -15.083) 15.951 29.138 ( -2.636 9.172 3.237) 10.077 29.266 ( 2.312 4.964 -3.281) 6.384 29.681 ( -4.166 14.327 3.959) 15.437 29.978 ( 7.191 17.308 -12.437) 22.494 30.155 ( 0.826 2.742 6.585) 7.181 30.417 ( -3.708 -2.157 -7.620) 8.745 31.097 ( -7.163 -14.584 5.475) 17.145 31.156 ( 11.109 -10.619 2.095) 15.510 31.705 ( 0.049 5.501 14.830) 15.818 32.054 ( 1.787 -5.828 12.302) 13.729 32.403 ( -3.197 -3.038 4.180) 6.077 32.517 ( 5.470 -5.135 -3.906) 8.458 32.793 ( -4.987 0.541 0.662) 5.060 33.078 ( 1.424 -4.041 -9.001) 9.969 33.294 ( -9.425 5.420 3.525) 11.430 33.701 ( 7.727 -1.355 -14.841) 16.787 34.579 ( -3.521 7.189 8.071) 11.367 34.883 ( 0.524 2.280 -8.914) 9.215 ======================= Grid point 177 (92/136) ======================= q-point: ( 0.09 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 8.171 20.005 18.063) 28.164 2.659 ( 18.714 22.032 16.499) 33.284 2.966 ( 4.310 2.616 -2.115) 5.467 3.332 ( 7.425 13.830 -16.310) 22.637 3.546 ( 0.100 1.560 -1.886) 2.450 3.670 ( 6.650 3.432 6.064) 9.632 4.067 ( 6.300 1.909 2.455) 7.026 4.220 ( 6.262 0.525 0.979) 6.359 4.539 ( 0.956 -0.982 8.666) 8.773 5.054 ( -1.678 0.763 -10.119) 10.285 5.444 ( -2.287 -8.971 6.125) 11.100 5.650 ( -4.846 -7.406 -1.800) 9.032 6.405 ( -0.007 -1.997 -4.118) 4.577 6.444 ( 1.321 -1.316 -2.118) 2.822 7.344 ( -0.507 -1.450 4.031) 4.313 7.494 ( -4.839 -7.086 -9.320) 12.669 7.825 ( 6.447 -9.691 -1.326) 11.715 7.880 ( -2.638 -4.590 8.144) 9.713 8.400 ( 14.712 3.028 -1.729) 15.119 8.664 ( 5.848 1.276 -8.885) 10.712 8.818 ( -2.705 5.486 12.610) 14.015 9.101 ( 1.128 -10.103 8.525) 13.267 9.445 ( -2.233 4.108 -3.610) 5.907 9.639 ( 0.182 0.091 -6.099) 6.102 9.866 ( -5.733 12.654 3.967) 14.447 10.096 ( 2.812 16.209 -2.021) 16.575 10.531 ( -2.336 1.945 20.613) 20.836 11.120 ( -5.717 -0.159 5.147) 7.694 11.220 ( 0.514 1.220 -0.098) 1.327 11.327 ( -7.321 3.552 -4.376) 9.239 11.591 ( -5.043 5.575 -1.239) 7.619 11.901 ( -0.338 -1.743 -4.402) 4.746 11.990 ( -10.082 -3.189 -3.816) 11.242 12.405 ( -7.849 -4.649 -5.086) 10.444 12.538 ( 2.487 -12.374 -0.028) 12.622 12.713 ( 3.891 -13.507 -12.077) 18.533 13.238 ( -0.969 9.457 2.959) 9.957 13.606 ( 4.402 7.940 -5.847) 10.799 13.889 ( -1.753 6.741 1.350) 7.095 14.133 ( 3.068 9.139 1.454) 9.750 14.406 ( -1.342 5.508 1.916) 5.984 14.831 ( 1.681 0.444 0.610) 1.843 15.107 ( 4.773 -4.471 6.327) 9.100 15.174 ( -0.622 -0.644 -5.966) 6.033 15.720 ( -7.539 -13.024 0.109) 15.050 16.095 ( 2.035 -12.059 -7.427) 14.308 16.512 ( -2.805 -7.138 9.086) 11.890 16.707 ( -2.285 -2.288 -1.936) 3.769 16.835 ( -0.676 -2.341 1.219) 2.724 17.298 ( 5.189 -9.921 -0.825) 11.226 17.987 ( -1.314 8.735 -6.905) 11.212 18.192 ( -1.967 2.012 -1.947) 3.421 18.786 ( -5.532 -2.884 -3.350) 7.081 18.826 ( -3.252 -5.846 1.286) 6.812 19.385 ( -2.068 5.203 7.491) 9.353 19.658 ( -1.110 1.764 -7.981) 8.248 19.836 ( 1.636 4.908 0.062) 5.174 20.073 ( -1.446 -1.995 -11.957) 12.208 20.279 ( 3.343 2.375 1.975) 4.552 20.429 ( 4.651 4.248 -3.654) 7.282 21.245 ( 2.213 1.677 12.433) 12.739 21.610 ( 0.883 -6.096 5.039) 7.958 21.778 ( 2.094 2.221 7.626) 8.214 22.264 ( -0.270 -3.516 -8.638) 9.330 23.340 ( -5.698 4.491 12.653) 14.586 23.693 ( -0.873 -6.202 11.114) 12.757 23.831 ( -8.201 8.162 4.115) 12.280 24.344 ( -7.531 -1.394 -17.026) 18.669 24.739 ( -2.146 5.750 8.774) 10.708 24.981 ( 1.987 2.606 0.995) 3.425 25.061 ( -7.191 0.574 10.302) 12.576 25.631 ( -14.872 -8.436 -13.019) 21.490 25.953 ( -3.489 -6.095 1.371) 7.155 26.306 ( 2.555 -7.870 -7.751) 11.338 27.068 ( -3.047 -5.374 10.346) 12.050 27.455 ( 3.711 -15.736 2.680) 16.388 28.390 ( -2.865 9.758 -2.874) 10.568 28.738 ( 0.015 7.024 -15.333) 16.865 29.065 ( -2.168 7.688 1.527) 8.132 29.256 ( -3.099 4.781 -1.018) 5.788 29.522 ( -5.457 4.580 -0.252) 7.129 30.085 ( -4.732 3.685 -5.725) 8.291 30.143 ( 2.520 9.638 0.211) 9.964 30.494 ( 10.209 4.149 -2.903) 11.396 31.018 ( -1.202 -12.026 3.912) 12.703 31.423 ( 13.081 -9.267 2.504) 16.225 31.703 ( 0.327 8.143 15.664) 17.657 32.046 ( -3.259 -5.300 20.517) 21.440 32.247 ( -9.261 -1.496 -5.670) 10.961 32.543 ( -4.739 -10.140 -6.621) 13.005 32.773 ( 7.896 5.752 0.365) 9.776 33.024 ( -1.774 2.953 -0.011) 3.445 33.475 ( 12.780 8.178 -0.032) 15.173 33.872 ( 7.745 4.173 -10.259) 13.515 34.519 ( 0.243 0.592 13.072) 13.088 35.239 ( 30.219 -17.128 -22.198) 41.223 ======================= Grid point 178 (93/136) ======================= q-point: ( 0.18 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 13.934 16.755 10.610) 24.238 3.035 ( 12.007 15.524 17.947) 26.594 3.135 ( 13.926 0.135 -4.660) 14.685 3.561 ( 10.796 6.787 -11.029) 16.860 3.617 ( 8.480 2.210 -5.211) 10.196 3.868 ( 12.242 0.719 1.689) 12.379 4.193 ( 5.397 -4.222 4.413) 8.151 4.358 ( 6.810 -5.043 1.497) 8.605 4.606 ( 5.360 7.382 6.922) 11.452 4.991 ( -4.141 -1.700 -4.821) 6.579 5.384 ( -3.403 -5.609 3.619) 7.492 5.511 ( -7.969 -7.235 -1.197) 10.829 6.366 ( -3.992 -0.008 0.683) 4.050 6.485 ( 2.313 -0.731 -3.180) 3.999 7.303 ( -4.011 0.053 4.442) 5.986 7.406 ( -3.123 -8.611 -12.977) 15.885 7.820 ( -1.783 -8.432 9.646) 12.935 8.044 ( 11.978 -4.963 2.149) 13.142 8.639 ( -1.456 10.710 -2.477) 11.089 8.764 ( 7.219 7.334 5.958) 11.891 8.855 ( 10.133 5.861 3.138) 12.119 9.143 ( 2.341 -5.828 11.006) 12.672 9.412 ( 0.097 3.411 -4.680) 5.792 9.614 ( -1.858 -1.010 -1.057) 2.364 9.799 ( -0.140 1.714 -3.331) 3.749 10.117 ( -0.548 13.383 -5.821) 14.604 10.499 ( -0.853 2.672 16.169) 16.411 10.928 ( -10.869 1.889 6.842) 12.981 11.082 ( -6.880 -4.479 -11.398) 14.047 11.349 ( 1.971 4.223 3.041) 5.564 11.438 ( -7.809 -0.258 -2.047) 8.077 11.747 ( -10.592 -0.027 -6.516) 12.436 11.991 ( 4.999 -1.071 -0.117) 5.114 12.242 ( -5.745 -0.803 -0.894) 5.870 12.545 ( -2.254 -18.897 2.055) 19.142 12.706 ( -4.903 -12.859 -6.152) 15.074 13.247 ( 1.819 7.954 -1.207) 8.248 13.646 ( -0.871 4.659 -7.736) 9.073 13.878 ( 0.488 9.438 -0.347) 9.457 14.174 ( 2.415 13.699 2.145) 14.075 14.400 ( 0.213 5.589 -1.870) 5.897 14.845 ( -0.053 -0.095 5.582) 5.583 15.132 ( -0.065 -1.872 -4.553) 4.923 15.279 ( 7.781 -3.629 3.923) 9.439 15.531 ( -9.683 -9.912 -3.169) 14.214 16.081 ( -3.689 -14.005 -13.046) 19.492 16.421 ( -5.745 -7.917 7.946) 12.602 16.636 ( -3.506 -7.084 -1.686) 8.081 16.864 ( 1.874 6.210 11.411) 13.126 17.417 ( 6.039 -11.727 -0.409) 13.197 17.923 ( -4.198 9.434 -4.314) 11.191 18.128 ( -3.766 4.044 -10.309) 11.697 18.629 ( -8.344 -0.490 9.891) 12.950 18.826 ( 2.392 -9.564 -8.770) 13.195 19.352 ( -1.193 5.474 7.786) 9.592 19.636 ( -0.778 1.485 -9.881) 10.022 19.879 ( 2.528 3.832 0.505) 4.619 20.046 ( -0.789 0.851 -12.246) 12.301 20.331 ( 2.660 1.507 -1.418) 3.371 20.557 ( 5.759 0.397 2.068) 6.132 21.311 ( 4.325 4.362 8.644) 10.604 21.619 ( 0.126 -2.165 8.166) 8.449 21.841 ( 3.123 0.565 2.011) 3.757 22.244 ( -1.475 -0.854 -3.802) 4.166 23.201 ( -6.981 4.049 4.018) 9.015 23.657 ( -3.592 -5.858 12.332) 14.117 23.679 ( -5.479 2.903 10.156) 11.899 24.123 ( -12.687 -2.933 -12.611) 18.127 24.701 ( -1.420 5.328 6.755) 8.719 24.880 ( -8.300 3.908 5.789) 10.847 25.017 ( 0.382 -0.518 4.191) 4.240 25.338 ( -11.529 -7.869 -6.437) 15.371 25.871 ( -4.265 -1.433 -3.054) 5.438 26.325 ( -0.655 -8.626 -13.150) 15.740 27.030 ( -0.948 0.541 14.735) 14.776 27.477 ( -1.470 -12.768 4.970) 13.779 28.313 ( -2.723 10.736 -5.018) 12.160 28.719 ( -0.643 8.953 -17.338) 19.524 29.081 ( 2.432 0.074 0.246) 2.446 29.178 ( -3.406 4.375 -0.685) 5.587 29.468 ( -0.887 0.825 -2.478) 2.758 29.918 ( -8.489 -8.216 -2.626) 12.102 30.220 ( 3.624 13.769 -1.445) 14.311 30.714 ( 9.135 11.205 -0.338) 14.460 30.998 ( -0.994 -8.782 5.558) 10.441 31.622 ( 2.952 2.324 11.259) 11.869 31.750 ( 4.056 2.404 6.483) 8.017 31.934 ( -5.871 -0.596 26.369) 27.021 32.138 ( -1.605 -6.788 -12.876) 14.644 32.426 ( -5.725 -7.852 -12.132) 15.543 32.956 ( 6.657 6.538 -0.124) 9.331 33.071 ( 6.142 4.440 -2.405) 7.951 33.606 ( 1.537 13.443 8.859) 16.172 33.972 ( 3.209 21.666 -10.358) 24.228 34.672 ( 13.609 -15.664 26.881) 33.958 35.928 ( 32.385 -36.312 -37.169) 61.228 ======================= Grid point 179 (94/136) ======================= q-point: ( 0.27 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 16.388 10.728 4.328) 20.059 3.231 ( 8.388 5.596 8.729) 13.336 3.442 ( 13.706 2.547 -0.334) 13.944 3.715 ( 7.078 3.706 -2.221) 8.293 3.842 ( 9.160 2.209 -6.830) 11.638 4.126 ( 9.609 -0.121 -3.202) 10.130 4.309 ( 6.760 -5.908 5.834) 10.707 4.505 ( 6.842 -7.349 1.487) 10.151 4.742 ( 7.069 4.121 3.375) 8.852 4.887 ( -5.448 -3.280 0.726) 6.400 5.304 ( -4.973 -2.386 1.194) 5.644 5.348 ( -6.389 -6.459 0.548) 9.101 6.246 ( -7.036 2.246 4.219) 8.506 6.529 ( 1.650 1.118 -4.592) 5.006 7.176 ( -8.128 -1.022 6.483) 10.447 7.353 ( -2.063 -12.180 -16.837) 20.883 7.808 ( 0.665 -2.385 12.252) 12.500 8.236 ( 2.936 -7.551 7.903) 11.318 8.546 ( -0.943 23.841 -1.459) 23.904 8.869 ( 1.446 9.940 -0.738) 10.072 9.115 ( 11.460 6.141 13.905) 19.036 9.180 ( 0.798 1.622 11.468) 11.609 9.470 ( 4.666 -0.565 -5.905) 7.547 9.595 ( 1.024 -3.442 -4.066) 5.425 9.843 ( 3.882 -5.416 -6.017) 8.979 10.094 ( -0.974 9.719 -5.844) 11.382 10.492 ( -0.505 2.513 11.512) 11.794 10.767 ( -3.298 2.991 4.293) 6.185 10.964 ( -4.091 -2.470 -15.176) 15.911 11.300 ( -5.233 -5.034 1.309) 7.378 11.342 ( -2.482 4.974 4.231) 6.986 11.578 ( -4.577 -0.230 -7.379) 8.686 12.050 ( -0.487 -6.137 -1.731) 6.395 12.207 ( 2.546 -0.180 4.036) 4.775 12.413 ( -10.013 -13.513 -2.400) 16.989 12.602 ( -3.305 -16.152 3.769) 16.912 13.287 ( 1.499 6.297 -3.530) 7.373 13.577 ( -4.660 1.446 -9.175) 10.392 13.884 ( -0.163 10.051 0.859) 10.089 14.251 ( 4.153 15.594 1.298) 16.190 14.403 ( 0.095 6.041 -1.213) 6.162 14.844 ( -0.077 0.742 7.582) 7.619 15.133 ( -0.243 -3.481 -2.429) 4.252 15.342 ( -7.014 -9.816 -4.295) 12.806 15.446 ( 7.249 -1.006 -0.532) 7.338 15.959 ( -6.832 -12.055 -16.564) 21.595 16.298 ( -5.594 -8.030 6.194) 11.582 16.554 ( -4.607 -10.102 -1.041) 11.152 16.895 ( 0.647 12.204 17.004) 20.940 17.509 ( 1.126 -9.881 9.405) 13.688 17.831 ( -3.348 11.379 -9.500) 15.197 18.081 ( 0.379 1.766 -19.242) 19.327 18.472 ( -6.574 -0.706 16.193) 17.491 18.878 ( 2.070 -9.549 -13.667) 16.800 19.337 ( -0.539 4.725 5.734) 7.450 19.621 ( -0.480 -0.518 -11.254) 11.276 19.934 ( 2.377 3.671 2.194) 4.893 20.041 ( 0.874 1.468 -12.183) 12.302 20.395 ( 3.220 -2.984 -0.519) 4.421 20.647 ( 3.037 0.284 3.980) 5.014 21.417 ( 4.616 3.942 4.358) 7.472 21.629 ( 1.261 2.204 7.173) 7.609 21.900 ( 2.688 2.112 1.373) 3.684 22.198 ( -3.146 2.973 0.228) 4.334 23.087 ( -3.319 2.822 -1.713) 4.681 23.561 ( -4.034 1.253 17.072) 17.587 23.604 ( -3.714 -11.201 6.531) 13.487 23.847 ( -12.682 -4.044 -6.061) 14.626 24.673 ( -2.362 4.727 6.700) 8.533 24.743 ( -4.168 4.790 4.088) 7.552 25.004 ( -1.491 -0.802 3.173) 3.596 25.170 ( -4.729 -7.336 -1.468) 8.850 25.779 ( -4.389 1.187 -5.997) 7.525 26.279 ( -2.994 -7.476 -18.009) 19.727 27.021 ( -0.754 2.994 18.761) 19.013 27.438 ( -1.251 -9.113 5.635) 10.787 28.304 ( 1.502 8.261 -5.219) 9.887 28.700 ( -1.052 8.119 -20.139) 21.740 29.102 ( -0.880 -1.153 2.803) 3.156 29.164 ( 2.673 1.221 -3.647) 4.684 29.455 ( -0.735 -0.604 -3.150) 3.290 29.755 ( -6.998 -9.769 -2.269) 12.229 30.287 ( 2.816 10.618 -0.900) 11.022 30.791 ( -2.530 6.457 -1.178) 7.035 31.030 ( 4.729 1.905 9.018) 10.360 31.585 ( -5.171 6.589 17.410) 19.320 31.730 ( -5.211 -0.062 12.261) 13.323 31.914 ( 1.764 -1.181 2.030) 2.937 32.120 ( -1.401 -5.643 -8.869) 10.605 32.309 ( -4.388 -4.395 -12.539) 13.992 33.045 ( 1.936 2.744 -0.683) 3.427 33.173 ( 1.514 0.529 -2.402) 2.888 33.644 ( 4.034 17.413 14.076) 22.751 34.100 ( 10.175 29.941 -12.439) 33.982 35.009 ( 16.218 -20.299 35.794) 44.230 36.491 ( 22.224 -39.382 -39.480) 60.029 ======================= Grid point 180 (95/136) ======================= q-point: ( 0.36 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 12.675 5.615 0.486) 13.871 3.388 ( 6.158 2.226 4.451) 7.917 3.700 ( 11.319 0.519 -0.595) 11.347 3.864 ( 6.687 6.606 -0.376) 9.407 3.980 ( 4.780 -0.450 -4.462) 6.555 4.238 ( 2.442 2.747 1.118) 3.842 4.433 ( 2.965 -3.687 1.646) 5.010 4.612 ( 2.112 -4.515 -0.157) 4.987 4.774 ( -2.808 -7.882 7.849) 11.472 4.915 ( 8.240 -5.317 -2.036) 10.016 5.181 ( -5.362 -2.293 1.530) 6.029 5.259 ( -3.427 -3.680 0.685) 5.075 6.110 ( -5.204 3.670 6.095) 8.815 6.527 ( -2.438 3.493 -8.071) 9.127 6.994 ( -8.468 -3.732 8.049) 12.264 7.302 ( -2.410 -15.665 -18.163) 24.106 7.861 ( 4.119 2.356 12.914) 13.758 8.172 ( -5.822 5.735 15.065) 17.139 8.620 ( 5.106 14.409 -8.933) 17.706 8.835 ( -4.257 10.435 6.288) 12.906 9.195 ( 0.714 5.789 13.100) 14.340 9.301 ( 5.986 12.499 12.262) 18.504 9.522 ( 1.109 -1.772 -5.598) 5.975 9.691 ( 6.649 -3.115 -7.086) 10.204 9.920 ( 2.239 -10.602 -2.451) 11.110 10.082 ( 0.029 6.864 -5.565) 8.837 10.511 ( 2.979 0.848 5.354) 6.185 10.776 ( 2.696 4.834 -0.202) 5.539 10.918 ( 0.176 1.455 -13.327) 13.407 11.213 ( -3.551 -0.135 -2.137) 4.146 11.300 ( -0.426 -3.484 6.235) 7.155 11.531 ( -0.676 -1.442 -4.952) 5.202 12.014 ( -2.113 -9.180 -1.294) 9.509 12.162 ( -9.347 -8.920 0.354) 12.925 12.322 ( 3.829 -5.083 1.399) 6.515 12.552 ( -2.081 -13.654 8.054) 15.989 13.296 ( -0.559 5.528 -4.611) 7.220 13.485 ( -3.487 0.366 -10.553) 11.121 13.877 ( -0.131 8.867 3.856) 9.670 14.311 ( 1.070 11.514 -1.180) 11.624 14.396 ( -1.148 6.350 4.800) 8.042 14.847 ( 0.260 2.125 4.971) 5.413 15.088 ( -3.755 -8.251 -2.229) 9.336 15.272 ( 0.319 -2.369 -0.070) 2.392 15.574 ( 4.417 -3.243 -5.728) 7.927 15.828 ( -4.413 -7.526 -17.098) 19.195 16.208 ( -2.930 -6.196 4.148) 8.012 16.451 ( -4.792 -10.791 -3.459) 12.303 16.899 ( -0.538 14.198 20.804) 25.193 17.447 ( -6.004 -0.695 17.969) 18.958 17.806 ( 0.465 8.563 -17.830) 19.786 18.129 ( 3.862 -0.487 -20.895) 21.255 18.374 ( -3.055 -2.417 17.660) 18.085 18.895 ( 0.011 -8.910 -16.245) 18.528 19.327 ( -0.589 1.569 2.838) 3.296 19.614 ( 0.205 -3.162 -12.107) 12.515 19.961 ( 0.124 4.885 2.267) 5.387 20.088 ( 3.660 0.516 -10.307) 10.950 20.446 ( 1.288 -6.330 1.549) 6.643 20.700 ( 2.140 0.364 3.221) 3.884 21.460 ( -0.387 2.951 3.469) 4.571 21.703 ( 5.294 7.086 3.309) 9.444 21.949 ( 1.323 4.096 6.238) 7.579 22.107 ( -5.161 5.616 -1.045) 7.698 23.078 ( 2.369 0.408 -3.015) 3.856 23.474 ( -5.838 -11.036 10.976) 16.623 23.545 ( -0.873 -3.996 8.010) 8.994 23.629 ( -7.623 -4.973 1.723) 9.263 24.591 ( -4.549 6.144 5.882) 9.646 24.713 ( 0.075 3.084 5.661) 6.447 24.982 ( -0.135 -0.588 0.830) 1.027 25.114 ( -1.326 -6.050 1.953) 6.494 25.689 ( -4.022 2.470 -6.969) 8.417 26.211 ( -2.881 -5.601 -20.378) 21.329 26.999 ( -1.563 2.441 20.134) 20.342 27.446 ( 1.576 -7.734 5.136) 9.417 28.345 ( 1.928 7.623 -5.287) 9.476 28.666 ( -1.574 7.963 -20.692) 22.227 29.099 ( 0.769 -0.612 2.340) 2.538 29.231 ( 3.015 -0.719 -1.961) 3.668 29.427 ( -1.651 -1.738 -3.154) 3.962 29.630 ( -4.845 -9.798 -3.888) 11.601 30.340 ( 2.420 6.414 -0.585) 6.880 30.675 ( -7.266 3.236 -0.918) 8.007 31.142 ( 4.967 6.696 10.397) 13.327 31.453 ( -6.803 4.942 18.413) 20.242 31.637 ( -3.621 -0.695 6.324) 7.321 31.924 ( -1.129 -6.691 -3.578) 7.671 32.051 ( -3.686 6.616 -5.861) 9.577 32.266 ( -0.021 -3.027 -10.880) 11.293 33.044 ( -1.332 -0.640 0.887) 1.724 33.139 ( -3.388 -3.734 -2.318) 5.549 33.788 ( 7.918 20.152 14.934) 26.302 34.340 ( 11.353 32.799 -13.920) 37.396 35.314 ( 11.447 -21.249 39.105) 45.953 36.843 ( 12.722 -37.461 -37.756) 54.687 ======================= Grid point 181 (96/136) ======================= q-point: ( 0.45 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 5.511 2.523 0.677) 6.099 3.468 ( 0.966 1.161 1.701) 2.275 3.903 ( 6.544 1.969 -0.814) 6.882 3.942 ( 0.492 7.835 -0.833) 7.894 4.089 ( 6.701 -1.036 -2.540) 7.241 4.227 ( -3.949 5.045 -0.067) 6.407 4.455 ( 0.951 -5.138 1.963) 5.581 4.567 ( -4.298 -1.298 1.348) 4.688 4.798 ( 2.895 -10.850 9.080) 14.442 5.044 ( 1.174 -8.893 -0.560) 8.988 5.124 ( 1.439 -3.716 -0.505) 4.017 5.202 ( -1.173 -2.388 -1.156) 2.901 6.055 ( -0.141 2.824 7.062) 7.607 6.428 ( -5.438 7.048 -7.628) 11.723 6.859 ( -4.686 -7.946 4.933) 10.461 7.263 ( -0.325 -14.989 -16.753) 22.482 7.976 ( 6.307 2.929 13.561) 15.240 8.064 ( -4.637 8.636 14.956) 17.882 8.674 ( -2.338 12.389 -6.954) 14.398 8.753 ( -0.686 13.318 8.736) 15.943 9.204 ( -0.039 4.359 14.212) 14.865 9.388 ( 2.433 12.803 -2.118) 13.203 9.545 ( 1.110 5.111 1.256) 5.379 9.815 ( 5.111 -5.108 -2.746) 7.731 9.907 ( -2.892 -8.110 3.144) 9.166 10.085 ( -0.480 -0.210 -9.203) 9.218 10.590 ( 3.112 -0.142 1.582) 3.494 10.859 ( 5.540 4.946 -5.496) 9.239 10.950 ( 2.321 4.473 -8.674) 10.031 11.130 ( -4.537 4.678 -5.372) 8.445 11.342 ( 3.815 -8.793 5.216) 10.912 11.532 ( 0.827 -2.758 -4.413) 5.269 11.932 ( -6.287 -6.816 4.402) 10.265 12.043 ( -0.572 -12.274 -3.458) 12.764 12.399 ( 2.433 -7.104 5.070) 9.060 12.527 ( 0.247 -9.286 6.435) 11.300 13.268 ( -1.880 6.289 -4.180) 7.782 13.428 ( -1.929 -1.269 -13.431) 13.628 13.892 ( 1.343 6.499 8.251) 10.588 14.287 ( -3.243 7.852 -1.894) 8.704 14.348 ( -3.473 6.343 9.447) 11.897 14.856 ( 0.507 1.153 1.250) 1.775 15.032 ( -0.818 -7.284 -1.872) 7.565 15.290 ( 0.354 -2.084 4.411) 4.891 15.601 ( -1.619 -5.382 -9.923) 11.404 15.804 ( 2.257 -0.186 -15.190) 15.358 16.186 ( 0.859 -3.210 0.869) 3.435 16.374 ( -1.925 -10.655 -5.436) 12.115 16.896 ( 0.168 11.857 22.440) 25.380 17.321 ( -5.928 3.231 19.049) 20.210 17.817 ( 0.951 10.345 -18.292) 21.036 18.191 ( 1.817 1.724 -15.889) 16.085 18.363 ( 1.706 -6.974 11.092) 13.213 18.877 ( -1.307 -9.633 -15.523) 18.316 19.313 ( -0.656 -1.133 -0.546) 1.419 19.630 ( 1.595 -5.196 -12.465) 13.598 19.950 ( -1.061 5.248 3.023) 6.148 20.171 ( 4.204 0.866 -10.906) 11.720 20.450 ( -0.653 -5.705 4.809) 7.490 20.729 ( 0.305 -3.502 0.067) 3.516 21.441 ( -0.944 9.301 7.267) 11.841 21.799 ( 2.658 8.988 -3.035) 9.852 21.902 ( -5.833 4.699 13.027) 15.027 22.046 ( -0.094 2.705 -2.741) 3.853 23.156 ( 4.069 -2.449 0.666) 4.796 23.353 ( -4.831 -9.697 0.048) 10.834 23.532 ( -1.940 -6.699 6.868) 9.789 23.570 ( 2.951 -5.494 9.532) 11.391 24.510 ( -3.152 7.620 7.538) 11.172 24.732 ( 1.570 2.456 6.856) 7.450 24.996 ( 1.080 0.001 0.025) 1.081 25.104 ( 0.379 -4.299 0.460) 4.340 25.614 ( -2.948 2.418 -5.770) 6.916 26.154 ( -2.115 -3.910 -21.257) 21.717 26.982 ( -0.162 0.072 20.607) 20.608 27.482 ( 1.295 -7.970 4.086) 9.049 28.367 ( 0.252 8.975 -5.297) 10.425 28.632 ( -1.230 7.190 -20.356) 21.624 29.122 ( 0.434 0.335 3.874) 3.912 29.250 ( -0.790 -0.881 -1.542) 1.944 29.407 ( -1.117 -3.195 0.427) 3.412 29.574 ( 0.803 -8.872 -9.298) 12.877 30.395 ( 3.002 3.249 0.051) 4.424 30.521 ( -6.970 3.641 -1.057) 7.934 31.236 ( 3.688 6.356 11.530) 13.672 31.350 ( -2.749 1.694 18.050) 18.336 31.582 ( -1.663 1.122 1.009) 2.246 31.852 ( -4.741 -6.191 -3.866) 8.703 32.032 ( 1.727 9.160 -3.785) 10.061 32.274 ( 0.807 -0.804 -10.195) 10.258 33.020 ( -0.559 -3.416 1.095) 3.630 33.073 ( -2.345 -4.960 -1.133) 5.603 33.920 ( 3.531 20.609 14.072) 25.204 34.514 ( 4.964 34.149 -14.642) 37.486 35.480 ( 3.318 -21.579 40.052) 45.616 37.013 ( 4.559 -35.753 -36.196) 51.080 ======================= Grid point 182 (97/136) ======================= q-point: (-0.45 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( -5.615 1.390 0.650) 5.821 3.470 ( -0.335 0.353 1.939) 1.999 3.865 ( -4.987 5.794 -1.155) 7.732 3.972 ( -2.587 4.099 -0.485) 4.871 4.095 ( -7.633 2.899 -2.267) 8.474 4.221 ( 4.162 5.945 -0.932) 7.317 4.486 ( -2.420 -3.679 2.533) 5.080 4.507 ( 3.209 -2.884 2.718) 5.099 4.823 ( -1.243 -9.585 8.288) 12.732 5.035 ( 0.299 -8.861 -1.970) 9.082 5.168 ( 2.385 -2.159 -1.654) 3.618 5.216 ( 0.757 -6.964 -0.771) 7.047 6.098 ( 3.849 1.088 8.189) 9.114 6.365 ( 0.262 8.517 -6.899) 10.963 6.791 ( -2.029 -10.798 2.625) 11.296 7.298 ( 4.049 -12.655 -13.866) 19.204 7.979 ( -3.428 4.402 14.685) 15.709 8.121 ( 6.613 6.478 12.042) 15.189 8.573 ( -4.988 13.552 3.148) 14.780 8.778 ( 0.944 14.265 1.613) 14.387 9.212 ( 0.741 -0.260 11.954) 11.980 9.381 ( -3.097 6.887 -10.334) 12.799 9.578 ( 1.859 13.726 10.271) 17.244 9.825 ( -4.972 -8.790 3.157) 10.581 9.894 ( 2.078 -5.418 -0.176) 5.806 10.033 ( -4.130 -2.095 -10.474) 11.452 10.613 ( -0.745 1.859 -2.582) 3.268 10.987 ( 2.641 2.749 -1.961) 4.287 10.992 ( 2.843 3.874 -9.942) 11.042 11.033 ( -1.778 7.167 -6.384) 9.761 11.424 ( 3.336 -5.972 0.589) 6.866 11.571 ( 3.009 -5.098 -5.840) 8.315 11.832 ( -2.278 -2.926 6.982) 7.905 12.088 ( 4.503 -14.336 -1.395) 15.091 12.409 ( -0.985 -7.890 7.263) 10.769 12.583 ( 4.370 -7.361 1.985) 8.787 13.215 ( -3.080 6.773 -3.726) 8.321 13.396 ( -0.949 -3.479 -13.978) 14.436 13.919 ( 0.269 4.942 10.674) 11.766 14.197 ( -4.140 6.160 1.685) 7.611 14.275 ( -3.349 7.694 7.826) 11.474 14.860 ( -0.492 -1.107 4.718) 4.871 15.066 ( 4.120 -3.393 -6.806) 8.649 15.285 ( -0.576 -4.691 5.091) 6.947 15.523 ( -5.406 -2.707 -6.767) 9.075 15.867 ( 3.346 1.987 -15.861) 16.331 16.235 ( 3.345 -1.893 0.520) 3.878 16.389 ( 3.629 -11.149 -8.143) 14.275 16.924 ( 2.024 6.114 22.206) 23.121 17.219 ( -4.249 3.351 18.910) 19.669 17.841 ( 1.781 13.527 -17.046) 21.834 18.205 ( 0.257 4.803 -9.143) 10.331 18.427 ( 3.712 -9.617 1.162) 10.374 18.838 ( -2.038 -11.963 -10.788) 16.238 19.310 ( 0.599 0.272 -3.996) 4.050 19.672 ( 2.634 -6.317 -12.405) 14.167 19.920 ( -1.919 4.783 3.862) 6.440 20.241 ( 2.264 0.604 -15.233) 15.412 20.440 ( 0.116 -2.681 9.580) 9.949 20.704 ( -2.671 -7.786 -2.397) 8.573 21.420 ( -1.742 16.742 10.817) 20.009 21.778 ( -5.351 1.943 11.952) 13.239 21.794 ( -2.676 8.192 -5.300) 10.117 22.065 ( 1.311 0.958 2.684) 3.137 23.196 ( -0.855 -5.434 3.312) 6.421 23.311 ( 1.463 -4.996 -2.086) 5.609 23.543 ( 2.457 -6.362 7.232) 9.941 23.677 ( 7.217 -8.756 4.100) 12.065 24.473 ( -0.455 9.964 10.425) 14.428 24.779 ( 2.649 2.643 7.452) 8.338 25.011 ( 0.088 -0.258 0.661) 0.715 25.134 ( 2.565 -1.772 -5.227) 6.086 25.569 ( -1.091 1.194 -2.345) 2.849 26.110 ( -1.793 -2.515 -20.788) 21.016 27.008 ( 2.276 -3.917 20.173) 20.675 27.494 ( -0.133 -8.676 3.587) 9.389 28.357 ( -0.896 10.507 -4.465) 11.452 28.601 ( -1.574 5.909 -21.066) 21.936 29.080 ( -3.810 -0.073 4.028) 5.545 29.264 ( 1.373 -0.804 -1.222) 2.006 29.347 ( -3.133 -3.762 1.041) 5.006 29.659 ( 6.058 -6.043 -9.441) 12.742 30.395 ( -4.532 5.285 -0.360) 6.972 30.474 ( 4.091 2.629 1.420) 5.066 31.281 ( 0.848 6.775 11.718) 13.562 31.369 ( 3.246 -2.334 15.678) 16.180 31.575 ( 0.993 3.168 -2.716) 4.289 31.769 ( -2.700 -3.574 3.186) 5.497 32.096 ( 4.524 6.063 -7.765) 10.841 32.296 ( 1.615 1.322 -10.199) 10.410 33.025 ( 0.823 -5.022 1.513) 5.309 33.054 ( 0.640 -4.389 -0.877) 4.521 33.921 ( -3.855 20.143 13.296) 24.441 34.529 ( -3.036 34.315 -14.872) 37.522 35.460 ( -6.164 -21.722 40.612) 46.467 37.019 ( -3.139 -35.628 -35.963) 50.720 ======================= Grid point 183 (98/136) ======================= q-point: (-0.36 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -10.663 3.166 0.628) 11.141 3.414 ( -5.113 -1.545 3.118) 6.184 3.744 ( -8.019 6.355 -2.466) 10.525 3.809 ( -10.726 6.269 1.783) 12.551 3.931 ( -7.608 1.229 -2.707) 8.168 4.201 ( -5.680 5.825 0.923) 8.188 4.461 ( -1.262 -1.871 1.777) 2.873 4.587 ( 3.522 -2.040 1.948) 4.512 4.781 ( -1.471 -6.727 4.204) 8.068 5.033 ( -3.109 -12.040 -3.960) 13.050 5.213 ( 2.002 -1.537 -0.337) 2.546 5.241 ( 3.311 -2.739 2.115) 4.789 6.209 ( 6.202 -0.430 7.856) 10.018 6.424 ( 4.859 6.147 -8.500) 11.560 6.775 ( 0.409 -10.865 5.207) 12.055 7.411 ( 6.537 -12.264 -11.806) 18.235 7.931 ( -1.380 1.674 12.428) 12.616 8.243 ( 4.395 15.256 11.169) 19.411 8.508 ( -0.894 6.590 5.497) 8.628 8.762 ( -2.779 10.305 -3.533) 11.243 9.230 ( -0.540 -4.177 11.990) 12.708 9.298 ( -2.766 3.925 -3.692) 6.057 9.609 ( 0.799 11.212 13.022) 17.203 9.688 ( -8.421 -8.446 -2.002) 12.093 9.846 ( -7.627 -2.029 -6.710) 10.360 9.977 ( 0.719 0.211 -2.961) 3.054 10.568 ( -3.368 4.350 -5.365) 7.684 10.899 ( -4.978 3.314 -7.306) 9.442 11.037 ( 2.856 9.968 -1.683) 10.504 11.163 ( 7.876 -1.339 -6.551) 10.332 11.484 ( 2.849 -3.242 -3.968) 5.863 11.640 ( 3.965 -4.415 -5.776) 8.281 11.859 ( 4.353 0.340 5.568) 7.076 12.221 ( 7.803 -12.266 0.843) 14.562 12.384 ( -1.022 -8.601 3.323) 9.277 12.679 ( 4.281 -8.709 -0.148) 9.706 13.151 ( -2.586 4.768 -3.371) 6.386 13.370 ( -1.506 -4.266 -10.149) 11.112 13.876 ( -4.344 7.356 7.918) 11.648 14.173 ( 1.927 4.215 6.557) 8.029 14.223 ( -1.685 9.459 5.602) 11.121 14.839 ( -1.499 -1.518 6.779) 7.107 15.171 ( 4.398 5.229 -12.186) 13.971 15.281 ( 0.227 -5.753 4.907) 7.565 15.395 ( -5.085 -7.364 -0.861) 8.990 15.925 ( 2.589 0.564 -16.134) 16.350 16.310 ( 3.691 -4.314 4.166) 7.042 16.506 ( 7.039 -9.629 -10.845) 16.121 16.978 ( 2.196 -1.047 20.703) 20.846 17.155 ( -2.171 0.907 16.524) 16.690 17.877 ( 1.614 15.948 -15.666) 22.414 18.211 ( 0.704 7.200 -7.397) 10.346 18.508 ( 4.204 -9.133 -4.398) 10.974 18.799 ( -1.165 -13.565 -2.611) 13.863 19.339 ( 2.222 4.541 -7.076) 8.696 19.727 ( 2.687 -5.675 -10.706) 12.411 19.874 ( -2.524 2.814 2.846) 4.732 20.248 ( -0.961 -1.104 -15.970) 16.037 20.450 ( -0.916 2.617 8.210) 8.666 20.640 ( -2.133 -12.047 -0.790) 12.259 21.360 ( -4.434 19.642 9.364) 22.207 21.629 ( -7.761 2.316 9.894) 12.786 21.797 ( 2.454 4.545 1.257) 5.316 22.081 ( 0.055 0.576 4.460) 4.498 23.176 ( 0.151 -2.469 -3.132) 3.991 23.369 ( 2.852 -3.210 7.031) 8.239 23.632 ( 6.258 -8.001 3.971) 10.906 23.851 ( 8.741 -9.366 -0.451) 12.819 24.497 ( 2.444 12.149 11.976) 17.233 24.841 ( 3.114 3.593 7.264) 8.682 24.995 ( -1.687 0.433 -1.195) 2.113 25.204 ( 4.179 -1.257 -8.696) 9.729 25.575 ( 1.754 -1.046 2.344) 3.109 26.071 ( -1.358 -1.977 -18.479) 18.634 27.082 ( 4.255 -8.544 18.245) 20.591 27.487 ( -0.454 -9.068 4.125) 9.972 28.337 ( -0.774 11.309 -2.936) 11.709 28.547 ( -3.300 4.716 -22.257) 22.989 29.011 ( -2.391 -0.041 3.859) 4.540 29.230 ( -2.889 -5.040 -1.884) 6.108 29.354 ( 2.139 2.500 1.357) 3.559 29.781 ( 5.450 -4.077 -7.615) 10.213 30.320 ( -2.803 8.108 -0.120) 8.580 30.566 ( 4.264 4.048 4.008) 7.115 31.292 ( -0.667 6.919 9.197) 11.528 31.443 ( 3.383 -3.829 6.820) 8.521 31.611 ( 2.245 0.767 3.808) 4.486 31.747 ( 0.070 -3.477 9.737) 10.339 32.225 ( 7.586 5.431 -13.313) 16.256 32.349 ( 4.655 2.551 -10.079) 11.391 33.045 ( 0.788 -4.888 3.092) 5.837 33.085 ( 1.569 -2.534 -2.006) 3.593 33.779 ( -9.284 18.690 12.203) 24.175 34.397 ( -8.722 33.032 -14.333) 37.049 35.249 ( -14.589 -21.808 40.862) 48.561 36.864 ( -11.094 -36.993 -37.005) 53.488 ======================= Grid point 184 (99/136) ======================= q-point: (-0.27 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -14.343 6.377 2.532) 15.899 3.256 ( -10.724 0.814 6.896) 12.776 3.435 ( -17.394 10.445 3.056) 20.517 3.667 ( -5.006 3.762 -5.654) 8.436 3.794 ( -5.746 -0.523 -3.837) 6.929 4.037 ( -9.072 1.308 1.604) 9.305 4.386 ( -5.877 -2.504 0.909) 6.452 4.601 ( -2.272 -3.095 0.614) 3.888 4.785 ( -6.049 -0.750 2.273) 6.506 4.869 ( -4.350 1.297 0.115) 4.541 5.266 ( 3.273 -4.629 2.335) 6.132 5.370 ( 7.852 -2.030 0.092) 8.111 6.331 ( 4.652 -3.022 5.363) 7.716 6.530 ( 4.094 0.747 -11.522) 12.251 6.824 ( 5.136 -5.248 9.078) 11.676 7.538 ( 5.385 -13.931 -11.243) 18.695 7.922 ( -0.189 -1.377 10.577) 10.667 8.297 ( -0.092 23.371 9.313) 25.158 8.501 ( -1.826 -9.046 3.619) 9.912 8.697 ( -1.166 8.388 -5.208) 9.942 9.147 ( -6.243 -2.460 7.646) 10.172 9.292 ( -1.249 -8.059 2.974) 8.680 9.496 ( -8.020 -1.965 -4.018) 9.183 9.608 ( -3.841 -4.559 10.023) 11.661 9.680 ( -3.286 12.415 -3.238) 13.244 10.029 ( 3.988 4.064 3.188) 6.526 10.479 ( -4.635 7.286 -4.589) 9.779 10.823 ( -1.734 3.752 -8.754) 9.681 11.105 ( 3.300 13.374 1.554) 13.862 11.322 ( 6.872 -6.625 -4.059) 10.372 11.572 ( 6.883 -2.057 -8.467) 11.103 11.742 ( 5.586 -0.847 -4.172) 7.023 11.983 ( 6.392 1.807 -0.265) 6.648 12.318 ( -0.079 1.954 2.744) 3.370 12.453 ( 9.152 -20.475 -4.392) 22.853 12.739 ( 1.091 -9.824 -2.089) 10.102 13.114 ( -1.125 1.272 -2.460) 2.989 13.340 ( -0.602 -2.273 -2.913) 3.743 13.781 ( -4.201 8.606 6.307) 11.467 14.193 ( -1.347 8.628 -1.638) 8.885 14.260 ( 5.375 7.360 11.648) 14.790 14.802 ( -2.179 -0.442 4.880) 5.363 15.135 ( -5.868 12.536 -2.580) 14.080 15.280 ( -0.355 -9.068 0.980) 9.128 15.449 ( 8.854 -12.425 -3.382) 15.627 15.966 ( 1.580 -2.081 -14.131) 14.371 16.386 ( 3.291 -6.955 7.814) 10.966 16.646 ( 6.057 -7.575 -9.505) 13.580 17.000 ( -0.704 -6.790 17.735) 19.003 17.140 ( 0.251 -3.548 10.337) 10.932 17.888 ( -0.254 16.201 -16.270) 22.961 18.236 ( 1.873 8.359 -2.819) 9.018 18.610 ( 5.968 -7.442 -9.574) 13.515 18.796 ( 0.840 -12.028 5.330) 13.182 19.390 ( 2.634 8.628 -9.093) 12.809 19.772 ( 1.633 -1.199 -5.413) 5.780 19.821 ( -2.269 -2.007 -1.332) 3.309 20.206 ( -2.701 -1.147 -15.120) 15.402 20.364 ( -6.206 1.381 4.625) 7.862 20.649 ( 1.835 -12.577 1.933) 12.856 21.232 ( -7.749 19.150 6.621) 21.693 21.510 ( -3.217 3.052 10.901) 11.769 21.866 ( 3.035 4.329 7.811) 9.432 22.082 ( 0.625 -1.659 1.483) 2.312 23.223 ( 4.518 0.474 -2.412) 5.143 23.415 ( 1.520 0.047 10.593) 10.702 23.811 ( 10.629 -8.476 0.856) 13.622 24.019 ( 7.130 -7.769 -3.209) 11.022 24.574 ( 4.448 13.298 11.388) 18.064 24.898 ( 0.764 4.581 2.926) 5.489 24.959 ( 0.080 1.477 -0.053) 1.480 25.304 ( 5.917 -3.017 -9.235) 11.375 25.645 ( 4.768 -3.560 6.084) 8.510 26.053 ( 0.232 -2.822 -14.508) 14.782 27.182 ( 4.468 -12.278 15.782) 20.489 27.480 ( -0.290 -9.448 3.777) 10.179 28.333 ( 0.710 11.741 -1.345) 11.839 28.461 ( -3.885 4.662 -20.921) 21.783 28.986 ( -0.190 1.195 2.717) 2.974 29.198 ( 0.033 -3.678 -2.008) 4.191 29.391 ( 1.489 4.917 0.828) 5.204 29.879 ( 4.230 -1.473 -5.437) 7.044 30.267 ( -2.536 10.588 -0.325) 10.893 30.634 ( 1.804 5.821 5.621) 8.291 31.235 ( -4.893 5.493 2.969) 7.933 31.505 ( 1.843 -6.669 3.546) 7.774 31.666 ( 2.261 -3.320 16.374) 16.860 31.754 ( 0.472 -3.790 7.784) 8.670 32.328 ( 2.801 9.547 -14.418) 17.517 32.551 ( 13.677 -0.072 -11.599) 17.933 33.019 ( -4.891 -1.316 4.336) 6.667 33.090 ( -1.129 -0.039 -3.403) 3.585 33.601 ( -6.137 14.945 10.273) 19.145 34.187 ( -11.015 28.773 -10.928) 32.691 34.909 ( -17.314 -20.279 37.240) 45.802 36.531 ( -20.418 -38.452 -38.198) 57.919 ======================= Grid point 185 (100/136) ======================= q-point: (-0.18 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -18.162 10.483 8.066) 22.468 2.938 ( -17.686 16.637 16.448) 29.328 3.163 ( -9.094 0.345 -4.933) 10.352 3.584 ( -2.708 2.142 -4.610) 5.760 3.648 ( -8.940 1.814 -10.476) 13.891 3.866 ( -6.730 -1.459 1.300) 7.008 4.236 ( -8.031 -1.373 1.768) 8.337 4.414 ( -18.000 13.633 5.983) 23.359 4.575 ( -2.886 -4.290 8.883) 10.278 4.947 ( 4.923 4.855 -8.828) 11.213 5.347 ( 4.198 -8.416 5.497) 10.893 5.528 ( 6.811 -2.069 -0.554) 7.140 6.397 ( 1.855 -5.016 1.443) 5.539 6.541 ( -2.349 -3.687 -8.683) 9.721 7.014 ( 11.835 1.090 5.033) 12.907 7.618 ( 2.328 -14.998 -10.533) 18.474 7.905 ( -1.999 -5.562 5.746) 8.243 8.198 ( -9.165 10.566 4.188) 14.601 8.426 ( -4.952 -7.974 5.820) 11.044 8.719 ( 0.613 9.159 -6.883) 11.474 9.003 ( -6.885 -9.477 6.143) 13.227 9.165 ( -7.177 -6.764 0.692) 9.886 9.452 ( 2.253 0.193 -1.777) 2.876 9.504 ( -3.183 -1.810 -0.161) 3.665 9.712 ( 3.478 11.822 9.266) 15.418 10.133 ( 4.584 8.517 5.009) 10.893 10.404 ( -1.291 8.097 4.187) 9.207 10.831 ( 2.735 3.949 -7.396) 8.819 11.163 ( 2.142 14.304 2.210) 14.631 11.431 ( 4.007 -6.893 -0.830) 8.016 11.781 ( 11.846 -4.311 -11.570) 17.111 11.845 ( 4.216 4.632 -0.215) 6.267 12.065 ( 0.439 5.046 -5.601) 7.551 12.337 ( 3.342 -6.157 -6.578) 9.610 12.631 ( 3.022 -17.170 -7.770) 19.087 12.730 ( 1.011 -9.284 -1.954) 9.541 13.100 ( 0.434 0.943 0.258) 1.069 13.362 ( 2.604 1.094 4.165) 5.033 13.728 ( -0.359 8.442 4.687) 9.662 14.144 ( -3.598 9.645 -2.796) 10.667 14.390 ( 6.365 9.393 9.691) 14.922 14.749 ( -2.823 2.836 0.249) 4.009 15.030 ( -3.470 4.517 5.774) 8.111 15.273 ( -0.256 -11.182 0.124) 11.185 15.657 ( 9.794 -6.328 -6.525) 13.362 15.988 ( 1.239 -7.996 -10.852) 13.537 16.438 ( 1.103 -6.867 10.941) 12.964 16.739 ( 2.845 -6.837 -4.021) 8.426 16.976 ( -1.259 -8.787 11.552) 14.568 17.148 ( 0.056 -6.877 2.603) 7.354 17.871 ( -0.387 13.948 -17.760) 22.586 18.281 ( 2.017 7.088 4.837) 8.815 18.747 ( 6.989 -5.022 -15.334) 17.584 18.828 ( 1.779 -9.286 10.224) 13.925 19.436 ( 1.865 10.994 -8.597) 14.081 19.765 ( -1.863 2.337 0.722) 3.075 19.804 ( 0.152 -4.448 -5.470) 7.052 20.121 ( -4.690 -0.251 -11.970) 12.859 20.258 ( -3.441 -1.372 2.375) 4.401 20.658 ( -2.181 -8.808 -1.212) 9.154 21.094 ( -3.824 13.414 9.406) 16.823 21.490 ( 0.493 3.274 9.697) 10.246 21.890 ( -1.130 3.460 12.154) 12.687 22.130 ( 3.779 -3.992 -5.136) 7.523 23.345 ( 5.762 2.039 9.487) 11.286 23.457 ( 3.403 2.513 6.307) 7.594 24.047 ( 10.009 -6.096 -2.744) 12.036 24.142 ( 5.771 -3.891 -4.672) 8.383 24.671 ( 4.199 13.392 9.186) 16.774 24.865 ( -1.670 3.417 -1.881) 4.243 25.028 ( 4.674 2.631 3.076) 6.183 25.469 ( 10.890 -5.903 -8.771) 15.178 25.765 ( 6.295 -5.846 8.492) 12.080 26.080 ( 2.546 -4.521 -10.453) 11.670 27.246 ( 0.697 -13.059 13.616) 18.879 27.468 ( -1.439 -12.219 0.995) 12.344 28.362 ( 0.918 10.200 -2.541) 10.552 28.424 ( 2.931 7.733 -14.130) 16.372 29.005 ( 2.270 4.500 1.086) 5.156 29.216 ( 1.083 0.022 -1.732) 2.043 29.433 ( 3.147 7.337 0.078) 7.983 29.955 ( 2.903 3.712 -2.666) 5.414 30.213 ( -2.442 9.403 -1.063) 9.773 30.631 ( -2.365 6.593 3.753) 7.947 31.105 ( -6.888 -0.140 1.396) 7.029 31.483 ( -4.914 -11.485 7.223) 14.430 31.676 ( -0.800 -2.122 12.229) 12.437 31.814 ( 5.100 -6.347 14.479) 16.611 32.368 ( 1.588 11.369 -14.311) 18.346 32.728 ( -5.063 -2.835 -5.988) 8.338 32.920 ( 2.308 3.852 2.502) 5.140 33.051 ( -0.698 2.648 -7.988) 8.445 33.559 ( 0.821 9.404 8.704) 12.840 33.904 ( -16.440 14.745 -1.662) 22.146 34.642 ( -7.133 -8.909 21.691) 24.510 35.985 ( -31.282 -35.513 -36.062) 59.499 ======================= Grid point 186 (101/136) ======================= q-point: (-0.09 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -13.294 16.837 15.980) 26.750 2.624 ( -12.208 23.517 19.630) 32.976 3.012 ( -5.449 -0.380 -7.547) 9.317 3.431 ( -9.575 5.905 -14.694) 18.506 3.565 ( 0.036 1.862 -4.374) 4.754 3.744 ( -5.881 -1.187 -0.104) 6.001 4.032 ( -10.386 24.220 15.362) 30.503 4.154 ( -5.007 -1.547 1.847) 5.557 4.547 ( -0.678 -7.090 6.658) 9.750 5.028 ( 3.010 5.194 -12.991) 14.311 5.428 ( 3.006 -10.469 7.820) 13.409 5.644 ( 4.252 -3.193 -0.662) 5.358 6.419 ( 0.523 -5.232 -1.397) 5.440 6.469 ( -3.578 -2.986 -6.632) 8.105 7.247 ( 8.849 0.588 1.642) 9.019 7.629 ( -0.823 -14.587 -9.981) 17.694 7.850 ( -2.804 -7.139 2.112) 7.955 7.985 ( -9.109 -0.620 0.638) 9.152 8.295 ( -7.208 0.073 6.192) 9.503 8.659 ( -4.524 3.632 -12.122) 13.438 8.896 ( -3.398 -8.796 9.035) 13.059 9.097 ( -0.669 -7.655 4.914) 9.121 9.477 ( 0.026 1.855 -0.289) 1.877 9.528 ( 4.383 0.358 -3.259) 5.474 9.814 ( 6.046 12.718 8.155) 16.272 10.144 ( -3.192 18.398 -3.164) 18.939 10.471 ( 5.769 1.554 20.901) 21.738 10.932 ( 6.767 3.892 -0.918) 7.860 11.192 ( 0.671 11.939 -0.883) 11.991 11.503 ( 3.050 -4.444 0.769) 5.444 11.817 ( -5.429 2.905 -1.569) 6.354 12.018 ( -0.971 10.542 -8.533) 13.597 12.084 ( 12.053 -3.247 -4.496) 13.268 12.432 ( 3.473 -11.432 -11.377) 16.498 12.513 ( -8.534 -16.765 -5.393) 19.570 12.766 ( -1.667 -10.811 -12.384) 16.524 13.175 ( 6.058 5.449 6.474) 10.407 13.430 ( 3.250 4.928 3.619) 6.924 13.790 ( 6.352 6.876 3.371) 9.949 14.046 ( -4.937 9.663 -0.957) 10.894 14.493 ( 2.020 10.815 9.775) 14.717 14.714 ( 0.597 3.080 -4.728) 5.674 14.994 ( -0.347 -1.088 8.165) 8.245 15.266 ( -0.810 -10.883 -1.440) 11.008 15.792 ( 2.795 0.324 -7.149) 7.683 16.038 ( 3.187 -20.938 -5.562) 21.898 16.447 ( 0.718 -0.744 10.448) 10.499 16.761 ( -0.636 -8.974 2.804) 9.423 16.962 ( -0.798 -5.906 0.076) 5.960 17.149 ( 0.690 -8.012 0.955) 8.098 17.887 ( 2.477 10.452 -16.280) 19.504 18.297 ( -1.038 4.275 7.284) 8.509 18.858 ( 2.174 1.334 -12.633) 12.888 18.875 ( 3.315 -11.872 6.257) 13.823 19.458 ( 0.100 11.179 -4.602) 12.090 19.723 ( -2.108 -1.497 -3.552) 4.393 19.799 ( -0.228 2.765 1.299) 3.063 20.058 ( -0.376 -2.901 -8.632) 9.114 20.206 ( -1.966 -0.963 -0.027) 2.190 20.551 ( -6.726 2.022 -5.254) 8.771 21.104 ( 3.454 1.880 12.950) 13.534 21.518 ( 1.830 0.534 6.743) 7.007 21.842 ( -3.266 1.746 12.164) 12.715 22.208 ( 3.336 -4.736 -9.364) 11.011 23.411 ( 0.943 3.834 21.262) 21.626 23.582 ( 6.677 1.171 2.822) 7.343 24.101 ( -2.503 0.723 -6.048) 6.585 24.332 ( 9.092 -3.309 -8.160) 12.657 24.739 ( 2.209 11.744 8.151) 14.465 24.866 ( 1.801 3.059 0.607) 3.602 25.116 ( 3.232 1.707 3.475) 5.043 25.740 ( 12.386 -6.574 -14.724) 20.333 25.904 ( 7.124 -11.653 11.304) 17.729 26.148 ( 4.009 -5.975 -7.731) 10.561 27.219 ( -2.834 -11.923 11.481) 16.793 27.400 ( -4.563 -14.454 -0.999) 15.190 28.380 ( 1.416 8.792 -0.584) 8.925 28.562 ( 8.143 5.483 -12.299) 15.736 29.096 ( 5.954 9.087 1.366) 10.949 29.226 ( 0.277 4.278 -2.220) 4.828 29.549 ( 8.539 12.293 0.109) 14.969 29.977 ( -1.200 14.095 -1.992) 14.285 30.170 ( -1.858 2.265 0.580) 2.986 30.539 ( -6.101 3.968 -3.758) 8.191 31.015 ( 0.306 -6.654 3.805) 7.671 31.308 ( -10.917 -14.877 7.394) 19.879 31.681 ( 1.175 1.302 11.777) 11.907 31.950 ( 7.007 -8.604 18.346) 21.441 32.405 ( 3.049 6.283 -12.214) 14.069 32.521 ( -9.419 -0.572 2.161) 9.681 32.895 ( -4.499 6.110 -2.439) 7.970 33.102 ( -0.034 -1.108 -2.631) 2.855 33.545 ( -6.909 2.499 7.942) 10.819 33.624 ( -3.748 1.674 -11.747) 12.443 34.594 ( 0.213 3.578 9.473) 10.128 35.273 ( -32.548 -18.003 -23.320) 43.901 ======================= Grid point 187 (102/136) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 2.901 15.601 9.618) 18.556 2.816 ( 0.607 -5.005 -1.238) 5.192 3.064 ( 0.216 21.173 13.546) 25.136 3.412 ( 0.820 -6.171 -0.042) 6.225 3.540 ( -1.626 1.733 -6.879) 7.278 3.621 ( -0.569 -5.048 -6.883) 8.555 4.081 ( -2.743 4.931 1.369) 5.806 4.211 ( -1.815 -3.908 -4.010) 5.886 4.675 ( 2.451 21.210 13.528) 25.276 5.090 ( 0.217 -12.689 1.568) 12.787 5.277 ( -0.614 4.121 -3.900) 5.707 5.494 ( -1.685 -12.193 -5.477) 13.472 6.426 ( -0.019 2.348 -4.657) 5.215 6.433 ( 1.592 1.999 -2.458) 3.546 7.225 ( -0.041 -5.840 0.079) 5.840 7.279 ( -0.543 -12.160 -2.136) 12.358 7.772 ( -2.227 2.871 3.564) 5.090 7.832 ( 0.480 -2.415 0.486) 2.510 8.389 ( 0.742 9.814 1.365) 9.936 8.563 ( -0.052 -5.814 -5.600) 8.073 8.794 ( 1.346 0.835 13.442) 13.535 8.892 ( 0.112 -7.851 10.200) 12.872 9.513 ( -0.317 2.701 -3.881) 4.739 9.585 ( 1.091 -3.209 -5.377) 6.356 10.292 ( 5.656 16.721 4.752) 18.280 10.511 ( 0.653 4.526 -1.771) 4.904 10.593 ( -1.898 16.072 9.552) 18.792 11.007 ( 0.843 -12.235 5.560) 13.466 11.253 ( -1.901 3.209 -5.174) 6.379 11.413 ( -3.004 -9.526 4.901) 11.126 11.822 ( -4.096 5.682 -0.149) 7.006 11.912 ( -6.623 -6.759 -3.925) 10.245 12.087 ( -4.683 -0.055 -2.448) 5.284 12.192 ( -1.857 -7.720 1.841) 8.151 12.441 ( 7.649 4.097 -13.342) 15.915 12.552 ( -0.038 -5.471 -15.397) 16.340 13.518 ( 3.122 14.226 6.606) 15.993 13.659 ( 5.178 4.201 1.458) 6.825 14.005 ( 3.033 1.986 3.492) 5.034 14.086 ( 0.698 -1.778 -0.515) 1.979 14.564 ( -5.586 2.608 3.596) 7.137 14.679 ( 0.683 -7.704 -0.738) 7.769 15.039 ( 1.359 4.592 5.323) 7.160 15.142 ( 1.500 -3.632 0.899) 4.031 15.633 ( -1.792 -2.527 1.801) 3.583 15.767 ( 2.235 -12.536 -1.537) 12.826 16.558 ( -3.193 5.532 -7.837) 10.110 16.692 ( -1.230 -4.358 -11.027) 11.921 16.851 ( 2.642 5.437 6.554) 8.916 17.036 ( 4.951 -8.649 9.010) 13.435 18.110 ( 0.378 5.772 -19.658) 20.491 18.221 ( -4.076 -4.212 -9.415) 11.090 18.762 ( -2.052 1.376 16.766) 16.947 18.850 ( -2.198 -4.714 1.451) 5.400 19.560 ( -2.147 4.094 -6.334) 7.842 19.633 ( -0.008 -3.551 -10.033) 10.643 19.912 ( 0.719 5.142 2.390) 5.715 20.008 ( 0.602 -3.571 -0.889) 3.728 20.306 ( 4.303 8.640 3.190) 10.165 20.470 ( 0.400 -4.262 -5.486) 6.958 21.231 ( 1.102 6.089 10.432) 12.129 21.412 ( -1.125 -9.468 5.060) 10.794 21.906 ( -0.342 9.055 3.256) 9.629 22.106 ( 1.173 -9.195 -5.688) 10.876 23.512 ( -1.999 4.935 17.879) 18.655 23.611 ( -1.017 -4.327 13.235) 13.962 24.131 ( -2.420 7.451 -0.977) 7.895 24.295 ( 0.559 -8.154 -1.849) 8.380 24.965 ( -1.460 6.540 2.861) 7.286 24.991 ( 0.536 2.224 3.158) 3.900 25.249 ( -0.929 9.949 -5.919) 11.614 25.546 ( -2.186 -16.894 -12.224) 20.966 25.943 ( 2.189 3.305 -3.159) 5.069 26.067 ( 3.100 -8.148 -6.810) 11.062 27.037 ( -0.850 0.195 7.691) 7.741 27.129 ( 1.115 -8.129 3.357) 8.865 28.560 ( 1.830 6.105 -2.750) 6.941 28.664 ( 3.504 -3.838 -8.151) 9.667 29.291 ( -0.072 4.518 0.162) 4.521 29.327 ( 1.014 0.764 -1.495) 1.962 30.002 ( -9.601 14.228 2.913) 17.409 30.178 ( -1.640 -2.015 0.419) 2.631 30.362 ( 8.265 16.405 -7.252) 19.749 30.415 ( -2.173 4.125 -2.419) 5.252 30.775 ( -4.539 -13.401 4.132) 14.740 30.861 ( 8.193 -16.178 -2.427) 18.296 31.814 ( 3.171 5.035 18.149) 19.099 31.925 ( 3.893 -5.897 19.330) 20.581 32.389 ( -4.250 0.988 -1.242) 4.537 32.431 ( -0.991 -3.102 -2.255) 3.961 32.853 ( -6.287 4.695 -2.308) 8.179 32.967 ( -4.211 -5.899 -5.379) 9.026 33.449 ( 2.295 8.393 -4.349) 9.728 33.611 ( 6.164 -6.640 -10.863) 14.146 34.737 ( -1.893 7.310 3.201) 8.201 34.859 ( -0.386 -4.010 -3.314) 5.217 ======================= Grid point 188 (103/136) ======================= q-point: ( 0.09 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 7.967 13.271 8.286) 17.557 2.898 ( 6.864 -4.333 -2.155) 8.398 3.168 ( 9.210 20.599 13.192) 26.137 3.473 ( 4.685 -4.755 0.075) 6.676 3.568 ( 4.529 4.041 -8.041) 10.075 3.675 ( 5.795 -5.981 -5.735) 10.112 4.038 ( -0.179 4.604 3.383) 5.716 4.190 ( -0.212 -6.589 -0.591) 6.619 4.761 ( 4.625 17.557 8.927) 20.232 5.063 ( -3.052 -6.120 -0.983) 6.909 5.264 ( -0.311 -1.676 -0.342) 1.739 5.425 ( -4.619 -12.078 -4.430) 13.668 6.441 ( 1.212 3.894 -3.799) 5.574 6.471 ( 1.846 1.818 -2.674) 3.723 7.226 ( -0.131 -5.854 0.089) 5.856 7.268 ( -1.244 -10.639 -1.261) 10.786 7.756 ( 1.005 4.794 0.780) 4.960 7.859 ( 2.666 -3.371 2.314) 4.881 8.503 ( 9.541 6.706 1.136) 11.717 8.636 ( 6.667 -4.586 -3.274) 8.730 8.854 ( 4.080 1.358 14.135) 14.775 8.929 ( 3.679 -5.994 10.044) 12.262 9.494 ( -1.291 2.872 -6.671) 7.377 9.583 ( -0.772 -4.773 -8.765) 10.010 10.325 ( -6.743 25.707 6.863) 27.448 10.457 ( -1.048 17.411 -4.536) 18.023 10.574 ( -0.302 -0.751 14.077) 14.100 10.917 ( -8.157 -19.262 -5.384) 21.600 11.199 ( -5.365 -1.108 0.828) 5.541 11.274 ( -8.935 -7.216 8.747) 14.437 11.701 ( -6.025 5.686 -4.050) 9.222 11.855 ( 0.096 -6.473 -1.114) 6.569 11.995 ( -2.779 6.881 -0.379) 7.431 12.187 ( 0.789 -10.287 5.773) 11.823 12.479 ( -6.966 1.869 -11.502) 13.576 12.540 ( 0.322 -4.403 -12.565) 13.318 13.489 ( -2.500 13.972 1.846) 14.313 13.710 ( -1.178 -3.085 -2.248) 3.995 14.047 ( 4.248 9.971 0.998) 10.884 14.221 ( 6.876 -3.309 -1.204) 7.726 14.496 ( -0.914 7.450 3.874) 8.447 14.722 ( 3.671 -10.846 2.316) 11.683 15.051 ( -0.249 2.588 4.639) 5.318 15.167 ( 0.623 -4.574 -0.193) 4.620 15.585 ( -2.940 2.445 -0.382) 3.843 15.780 ( -0.614 -14.417 -1.826) 14.545 16.466 ( -5.235 2.887 -4.682) 7.593 16.590 ( -6.799 -7.655 -11.633) 15.497 16.963 ( 6.427 10.590 11.077) 16.618 17.148 ( 5.308 -6.559 5.605) 10.130 18.093 ( -2.456 2.453 -20.186) 20.483 18.169 ( 0.147 -4.284 -14.273) 14.902 18.678 ( -5.727 0.643 15.559) 16.592 18.759 ( -6.161 -4.515 10.645) 13.102 19.535 ( -0.297 6.461 -5.656) 8.592 19.633 ( 0.062 -3.223 -10.705) 11.180 19.929 ( 1.063 4.615 1.063) 4.854 20.018 ( 0.498 -3.387 -2.523) 4.252 20.396 ( 3.039 6.450 0.971) 7.196 20.478 ( 1.312 -0.496 -5.513) 5.689 21.292 ( 4.069 3.991 10.087) 11.586 21.437 ( 3.339 -9.191 5.008) 10.987 21.910 ( 0.735 9.817 3.742) 10.531 22.125 ( 0.807 -9.495 -3.597) 10.185 23.432 ( -5.859 4.809 13.178) 15.203 23.552 ( -4.565 -6.704 13.217) 15.507 24.034 ( -6.661 10.430 3.409) 12.836 24.231 ( -6.402 -8.091 -2.727) 10.671 24.919 ( -2.929 8.011 3.483) 9.213 24.995 ( -0.345 -0.534 4.586) 4.630 25.140 ( -8.185 7.121 -2.351) 11.101 25.375 ( -11.874 -13.756 -10.394) 20.935 25.956 ( -0.655 4.501 -5.852) 7.412 26.107 ( 1.030 -9.589 -9.572) 13.587 27.056 ( 2.097 3.661 8.258) 9.273 27.195 ( 3.876 -9.526 4.033) 11.047 28.575 ( -0.610 8.003 -6.201) 10.143 28.717 ( 1.513 -5.428 -9.986) 11.466 29.261 ( -2.646 6.504 -0.542) 7.043 29.316 ( -2.103 0.463 -2.146) 3.040 29.699 ( -13.387 12.445 1.179) 18.316 29.957 ( -13.755 -10.592 1.311) 17.410 30.439 ( 3.886 13.856 -0.339) 14.394 30.679 ( 11.894 2.815 -2.878) 12.557 30.779 ( 5.877 -0.192 2.458) 6.374 31.117 ( 15.081 -18.485 -2.384) 23.975 31.848 ( 0.149 5.772 20.268) 21.074 31.951 ( -1.266 -4.368 21.635) 22.108 32.267 ( -6.840 3.137 -7.320) 10.498 32.368 ( -5.029 -6.599 -7.566) 11.229 32.910 ( 9.849 6.809 -0.894) 12.007 33.024 ( 5.952 -3.285 -1.243) 6.911 33.651 ( 15.080 8.779 -2.395) 17.613 33.822 ( 14.867 -6.936 -6.130) 17.513 34.652 ( -5.392 10.708 2.545) 12.256 34.914 ( 6.851 -14.195 -8.658) 17.983 ======================= Grid point 189 (104/136) ======================= q-point: ( 0.18 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 10.283 11.914 4.577) 16.390 3.069 ( 8.914 -4.667 0.010) 10.062 3.396 ( 10.455 15.179 10.080) 21.007 3.590 ( 6.325 -2.838 0.467) 6.948 3.717 ( 9.372 5.049 -8.083) 13.366 3.847 ( 10.405 -5.559 -4.112) 12.493 4.098 ( 5.647 1.475 4.237) 7.212 4.225 ( 4.292 -7.367 1.464) 8.651 4.831 ( 1.158 10.515 4.915) 11.664 4.965 ( -6.006 -2.006 -0.513) 6.353 5.260 ( -0.460 -3.904 0.680) 3.990 5.319 ( -4.876 -8.722 -3.367) 10.545 6.446 ( -1.377 5.817 -0.314) 5.986 6.509 ( 1.863 0.822 -2.683) 3.369 7.194 ( -3.547 -5.954 0.441) 6.945 7.207 ( -4.200 -8.232 -4.640) 10.341 7.811 ( 3.869 6.531 2.884) 8.120 7.959 ( 6.220 -5.827 3.118) 9.076 8.732 ( 10.513 3.181 0.798) 11.013 8.806 ( 9.077 -2.367 -1.175) 9.454 8.977 ( 7.723 3.725 12.705) 15.328 9.051 ( 7.200 -3.650 10.725) 13.424 9.468 ( -0.390 3.356 -8.788) 9.415 9.570 ( 0.319 -5.305 -11.213) 12.409 10.104 ( -11.138 28.097 9.030) 31.544 10.442 ( -2.341 14.100 -1.112) 14.336 10.569 ( -0.744 0.637 11.169) 11.212 10.726 ( -8.733 -22.212 -7.601) 25.048 11.024 ( -8.626 -0.886 -2.222) 8.952 11.113 ( -6.633 -11.084 10.438) 16.607 11.620 ( -2.275 8.669 -4.231) 9.911 11.786 ( -6.283 -4.602 -6.088) 9.885 12.012 ( 2.175 8.675 5.073) 10.282 12.200 ( -0.957 -5.622 6.302) 8.499 12.310 ( -6.042 -1.407 -2.619) 6.734 12.431 ( -9.507 -11.701 -8.595) 17.354 13.462 ( -0.430 11.725 -3.549) 12.258 13.660 ( -3.123 -5.105 -5.762) 8.308 14.121 ( 1.690 12.252 1.158) 12.422 14.312 ( 1.937 -5.207 -2.303) 6.014 14.534 ( 4.280 14.405 2.609) 15.252 14.817 ( 4.553 -6.644 4.270) 9.116 15.038 ( -0.985 -2.408 2.296) 3.470 15.160 ( -1.443 -8.223 1.032) 8.413 15.524 ( -1.941 7.631 -5.299) 9.491 15.752 ( -1.730 -14.310 -4.088) 14.983 16.342 ( -6.500 0.744 -3.165) 7.268 16.445 ( -6.331 -8.466 -6.271) 12.292 17.093 ( 5.482 11.299 12.960) 18.046 17.257 ( 5.076 -5.386 4.382) 8.601 18.036 ( -1.996 4.383 -18.287) 18.911 18.168 ( -0.930 -4.451 -16.684) 17.293 18.555 ( -6.127 -1.080 14.534) 15.810 18.637 ( -4.765 -5.922 12.937) 15.005 19.527 ( -0.758 7.418 -6.335) 9.785 19.622 ( -1.005 -2.285 -12.093) 12.348 19.961 ( 2.053 4.003 0.228) 4.505 20.035 ( 1.283 -2.543 -4.747) 5.536 20.420 ( 0.215 6.175 -2.326) 6.602 20.530 ( 2.939 -3.448 -1.592) 4.802 21.396 ( 5.426 4.877 7.921) 10.769 21.527 ( 4.641 -6.761 4.826) 9.516 21.941 ( 2.234 9.212 5.381) 10.900 22.144 ( 1.164 -8.462 0.848) 8.584 23.293 ( -7.035 5.374 7.490) 11.596 23.445 ( -5.608 -9.355 10.912) 15.429 23.864 ( -9.459 9.889 4.945) 14.550 24.039 ( -11.566 -6.176 -3.932) 13.689 24.852 ( -3.406 8.571 3.172) 9.753 24.952 ( -5.789 2.077 4.755) 7.774 24.998 ( -2.458 -0.350 4.780) 5.386 25.132 ( -9.930 -10.673 -4.134) 15.153 25.925 ( -1.999 6.172 -9.735) 11.698 26.107 ( -0.798 -10.771 -13.616) 17.380 27.105 ( 1.957 5.909 10.625) 12.314 27.257 ( 1.698 -8.732 5.391) 10.402 28.533 ( -2.560 10.168 -8.850) 13.721 28.719 ( -0.883 -6.837 -12.567) 14.333 29.198 ( -2.708 6.845 -1.572) 7.527 29.250 ( -3.363 1.461 -3.213) 4.875 29.521 ( -4.511 6.044 0.214) 7.545 29.716 ( -8.989 -10.698 2.232) 14.150 30.498 ( 1.748 12.922 -0.043) 13.040 30.754 ( 0.034 -11.282 1.520) 11.383 31.042 ( 13.346 17.120 1.608) 21.767 31.426 ( 13.155 -17.706 -0.884) 22.076 31.818 ( -3.988 3.541 18.644) 19.392 31.879 ( -6.324 -2.524 20.328) 21.438 32.172 ( -1.347 5.223 -8.440) 10.016 32.285 ( -2.325 -5.795 -10.004) 11.793 33.085 ( 4.386 4.866 -1.956) 6.836 33.131 ( 4.684 0.623 -2.749) 5.467 33.901 ( 7.865 15.381 10.980) 20.470 34.221 ( 20.220 -11.717 8.980) 25.036 34.585 ( 1.709 21.929 -5.351) 22.637 35.194 ( 19.874 -33.359 -22.253) 44.754 ======================= Grid point 190 (105/136) ======================= q-point: ( 0.27 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 11.314 8.773 1.722) 14.419 3.253 ( 8.448 -2.832 1.761) 9.083 3.579 ( 7.763 8.899 3.771) 12.396 3.725 ( 6.407 -3.659 0.525) 7.397 3.920 ( 9.550 5.760 -4.193) 11.915 4.063 ( 9.397 -6.752 -0.282) 11.574 4.271 ( 10.564 2.759 1.533) 11.026 4.363 ( 7.686 -5.733 2.783) 9.984 4.793 ( -5.009 1.516 2.153) 5.659 4.836 ( -5.492 -2.071 -0.277) 5.876 5.228 ( -3.239 -3.086 -0.507) 4.502 5.240 ( -2.309 -3.074 0.082) 3.846 6.382 ( -4.413 9.422 2.927) 10.808 6.537 ( 0.620 -2.867 -2.852) 4.091 7.067 ( -7.767 -4.797 -0.968) 9.180 7.114 ( -4.879 -8.331 -9.704) 13.688 7.900 ( 4.171 8.522 8.633) 12.828 8.079 ( 4.525 -7.978 7.069) 11.580 8.868 ( 2.562 6.765 -1.448) 7.378 8.967 ( 4.413 -1.021 -1.956) 4.934 9.169 ( 8.782 2.202 12.789) 15.670 9.216 ( 9.282 -1.073 9.128) 13.062 9.504 ( 4.216 3.885 -9.099) 10.754 9.607 ( 3.292 -3.593 -10.948) 11.983 9.929 ( -5.289 24.475 11.364) 27.498 10.377 ( -2.815 13.703 -0.708) 14.007 10.501 ( -4.928 -11.383 5.604) 13.611 10.627 ( -0.725 -14.613 -3.630) 15.075 10.907 ( -2.217 0.859 -0.189) 2.385 11.019 ( -2.433 -9.343 4.826) 10.793 11.570 ( -3.204 7.647 -3.845) 9.139 11.640 ( -6.407 2.750 -6.639) 9.627 11.975 ( -5.252 2.076 -1.318) 5.799 12.157 ( -7.755 -10.324 -2.857) 13.224 12.209 ( -1.546 -0.072 4.705) 4.953 12.304 ( 0.380 -10.335 8.063) 13.114 13.447 ( -1.207 8.207 -6.170) 10.338 13.576 ( -4.494 -3.018 -6.567) 8.511 14.124 ( -1.117 11.548 1.672) 11.722 14.323 ( -0.263 -7.131 -3.217) 7.828 14.618 ( 2.256 15.792 2.276) 16.114 14.891 ( 2.221 -1.844 5.093) 5.854 14.999 ( -3.111 -5.275 -0.605) 6.153 15.130 ( -0.081 -8.464 3.238) 9.063 15.531 ( 2.462 7.099 -7.988) 10.966 15.713 ( -1.691 -10.487 -8.606) 13.671 16.213 ( -5.193 0.814 -1.828) 5.566 16.329 ( -4.754 -9.624 -4.267) 11.551 17.185 ( 2.809 12.119 15.753) 20.073 17.352 ( 3.451 -5.635 7.923) 10.317 18.003 ( -0.955 6.401 -16.147) 17.396 18.125 ( -1.908 -0.936 -18.620) 18.741 18.437 ( -5.275 0.207 16.877) 17.683 18.582 ( -1.209 -12.747 8.075) 15.138 19.494 ( -2.197 6.748 -9.324) 11.717 19.584 ( -2.184 -2.552 -14.131) 14.525 20.012 ( 2.603 3.538 0.574) 4.430 20.069 ( 2.011 -1.252 -6.435) 6.857 20.424 ( 0.245 6.419 -0.626) 6.454 20.582 ( 1.916 -6.615 -1.178) 6.987 21.502 ( 4.340 5.614 5.958) 9.266 21.625 ( 4.780 -4.369 4.186) 7.711 22.004 ( 3.393 8.390 7.443) 11.717 22.171 ( 1.051 -5.753 4.602) 7.442 23.168 ( -4.685 5.468 2.242) 7.541 23.336 ( -4.921 -10.902 6.916) 13.817 23.662 ( -9.481 6.157 4.414) 12.136 23.781 ( -12.156 -4.242 -2.634) 13.142 24.784 ( -3.183 6.408 4.669) 8.544 24.841 ( -4.345 3.618 5.686) 8.019 24.963 ( -2.067 -2.810 6.522) 7.397 24.994 ( -2.967 -8.138 2.990) 9.164 25.873 ( -2.722 7.577 -12.388) 14.774 26.072 ( -2.027 -10.946 -16.663) 20.040 27.133 ( 0.341 6.795 12.261) 14.022 27.277 ( 0.580 -7.031 6.224) 9.408 28.498 ( -0.252 10.100 -8.494) 13.199 28.694 ( -0.864 -7.389 -13.987) 15.843 29.155 ( -1.425 4.923 -3.147) 6.014 29.206 ( -0.495 0.733 -4.912) 4.991 29.460 ( -2.197 2.311 -0.235) 3.197 29.572 ( -5.448 -7.665 2.372) 9.698 30.511 ( -0.472 10.754 0.094) 10.764 30.722 ( -3.114 -8.947 1.307) 9.563 31.258 ( 6.801 16.326 5.029) 18.387 31.604 ( 1.532 -12.931 3.608) 13.512 31.721 ( -5.298 -1.806 12.391) 13.596 31.730 ( -4.556 -0.705 12.193) 13.036 32.182 ( 1.459 4.767 -6.946) 8.550 32.249 ( -1.240 -2.154 -8.948) 9.286 33.108 ( -1.633 3.008 -2.137) 4.035 33.160 ( -2.330 -1.740 -3.014) 4.188 34.058 ( 8.516 22.059 19.860) 30.880 34.531 ( 11.006 -21.534 27.018) 36.260 34.818 ( 17.792 35.369 -18.800) 43.829 35.636 ( 20.918 -41.481 -28.398) 54.449 ======================= Grid point 191 (106/136) ======================= q-point: ( 0.36 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 8.523 4.810 0.579) 9.804 3.406 ( 5.895 -0.865 2.366) 6.411 3.752 ( 9.135 4.609 -0.101) 10.233 3.865 ( 7.519 -4.986 -1.061) 9.084 4.088 ( 6.110 8.732 -0.647) 10.677 4.237 ( 7.429 -3.992 2.493) 8.794 4.435 ( 0.833 2.574 1.887) 3.299 4.504 ( 6.084 -4.459 2.313) 7.890 4.662 ( -6.117 -0.390 1.074) 6.223 4.770 ( 0.372 -7.993 -2.636) 8.424 5.156 ( -3.482 0.194 1.686) 3.874 5.188 ( -2.584 -2.735 1.067) 3.911 6.284 ( -4.496 12.153 4.457) 13.703 6.528 ( -1.370 -7.153 -4.383) 8.500 6.890 ( -8.765 -0.775 -2.251) 9.083 7.012 ( -4.161 -10.650 -12.883) 17.225 7.981 ( 3.416 8.020 12.922) 15.587 8.138 ( 0.940 -6.016 11.392) 12.917 8.877 ( -0.714 6.860 -3.530) 7.748 8.982 ( -1.402 -0.334 0.636) 1.575 9.318 ( 4.648 6.891 11.137) 13.897 9.390 ( 5.582 -0.570 3.370) 6.546 9.618 ( 6.080 0.321 -6.229) 8.711 9.682 ( 3.427 -3.185 -8.067) 9.325 9.884 ( 0.312 23.803 13.512) 27.372 10.345 ( -0.505 14.084 -2.394) 14.294 10.449 ( 0.049 -13.744 3.507) 14.185 10.649 ( 2.815 -16.699 -3.335) 17.260 10.917 ( 2.497 1.939 0.772) 3.254 11.005 ( 0.787 -5.532 -0.196) 5.591 11.473 ( -4.811 8.914 -3.528) 10.727 11.556 ( -2.234 1.614 -7.054) 7.573 11.871 ( -4.071 -3.377 -2.214) 5.734 11.952 ( -8.587 -9.702 -4.874) 13.843 12.251 ( 2.330 -0.562 8.910) 9.226 12.324 ( 0.958 -7.565 9.886) 12.485 13.411 ( -1.866 5.120 -6.481) 8.467 13.490 ( -3.425 -1.522 -5.098) 6.328 14.083 ( -2.599 11.253 1.030) 11.595 14.308 ( -1.195 -8.229 -3.419) 8.990 14.613 ( -2.339 12.258 3.938) 13.086 14.860 ( -4.225 -10.974 -7.380) 13.884 14.980 ( 1.039 7.420 11.290) 13.550 15.160 ( 1.777 -7.588 8.062) 11.213 15.587 ( 2.368 3.740 -10.749) 11.625 15.693 ( 0.571 -6.020 -13.675) 14.953 16.146 ( -1.085 1.314 -2.037) 2.655 16.249 ( -2.681 -8.040 -5.195) 9.940 17.212 ( -0.625 12.862 18.362) 22.428 17.383 ( -0.906 -4.662 13.626) 14.430 17.993 ( 0.706 8.218 -16.512) 18.458 18.112 ( 1.220 -1.776 -19.894) 20.010 18.353 ( -3.065 2.371 17.340) 17.767 18.566 ( -0.799 -16.963 5.289) 17.787 19.436 ( -2.924 5.890 -13.706) 15.202 19.536 ( -1.839 -4.002 -15.857) 16.458 20.059 ( 1.666 3.896 1.533) 4.506 20.115 ( 2.579 -0.715 -7.052) 7.543 20.428 ( -0.018 5.712 1.916) 6.025 20.604 ( 0.163 -8.558 -1.537) 8.697 21.584 ( 3.787 8.219 6.331) 11.044 21.734 ( 5.601 -4.302 3.950) 8.092 22.062 ( 1.122 6.864 9.215) 11.545 22.166 ( -2.185 -1.467 4.203) 4.959 23.112 ( -0.591 3.462 -1.516) 3.826 23.243 ( -4.027 -9.338 2.599) 10.496 23.496 ( -6.103 1.408 3.626) 7.238 23.569 ( -7.571 -3.757 1.155) 8.531 24.720 ( -2.895 6.357 6.850) 9.784 24.783 ( -1.322 2.240 7.048) 7.513 24.940 ( 0.181 -2.763 5.644) 6.286 24.969 ( -0.381 -6.212 7.001) 9.367 25.809 ( -3.039 8.724 -13.412) 16.286 26.023 ( -2.186 -10.993 -18.175) 21.353 27.125 ( -1.191 8.236 12.675) 15.162 27.294 ( 0.764 -7.596 6.422) 9.976 28.514 ( 1.575 8.688 -7.685) 11.706 28.681 ( -0.177 -5.872 -14.306) 15.465 29.145 ( 0.615 4.646 -3.414) 5.798 29.222 ( 1.672 -1.693 -5.232) 5.748 29.413 ( -2.298 0.898 -0.438) 2.506 29.475 ( -3.993 -5.059 0.433) 6.460 30.487 ( -1.503 7.475 0.037) 7.625 30.632 ( -5.132 -5.827 0.356) 7.773 31.328 ( 0.415 10.359 11.094) 15.184 31.495 ( -7.372 -3.190 14.645) 16.704 31.639 ( -2.015 1.655 5.254) 5.866 31.730 ( 0.175 -8.092 -0.685) 8.122 32.202 ( 0.486 4.908 -6.952) 8.524 32.244 ( 1.262 -0.108 -8.851) 8.942 33.037 ( -4.340 0.346 -0.856) 4.438 33.069 ( -5.143 -2.734 -2.224) 6.235 34.260 ( 9.240 24.694 22.629) 34.746 34.770 ( 10.545 -20.710 27.835) 36.261 35.152 ( 13.255 35.243 -17.813) 41.654 35.998 ( 13.953 -42.361 -29.198) 53.307 ======================= Grid point 192 (107/136) ======================= q-point: ( 0.45 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 2.919 1.761 1.598) 3.765 3.484 ( 1.189 0.129 2.093) 2.411 3.951 ( 9.014 3.509 -1.265) 9.756 4.031 ( 6.334 -2.967 -2.415) 7.399 4.153 ( 1.350 9.104 -0.174) 9.205 4.319 ( -7.121 -3.544 -1.287) 8.058 4.383 ( 4.697 4.262 3.488) 7.239 4.552 ( -0.546 -7.276 4.813) 8.741 4.602 ( -0.502 2.555 0.735) 2.706 4.804 ( -0.051 -12.465 -1.731) 12.584 5.108 ( -0.374 1.090 2.069) 2.368 5.149 ( -0.811 -2.565 0.859) 2.824 6.215 ( -1.903 12.099 5.019) 13.236 6.488 ( -1.906 -9.461 -5.516) 11.117 6.729 ( -5.909 4.954 -2.974) 8.264 6.954 ( -0.851 -13.596 -13.315) 19.049 8.050 ( 2.916 4.764 15.594) 16.564 8.133 ( -1.099 -1.855 12.281) 12.469 8.857 ( -1.012 6.775 -1.483) 7.009 8.958 ( -0.608 -0.227 -0.057) 0.652 9.349 ( -1.646 8.956 9.802) 13.379 9.452 ( 0.500 -0.807 0.118) 0.957 9.706 ( 1.009 -4.727 -3.207) 5.801 9.718 ( 1.294 -3.449 -3.802) 5.293 9.948 ( 4.929 26.544 15.108) 30.938 10.324 ( -1.979 16.735 -5.897) 17.853 10.484 ( 2.512 -13.472 1.302) 13.766 10.719 ( 2.909 -20.191 -4.553) 20.901 10.991 ( 4.437 2.049 0.377) 4.902 11.050 ( 3.499 -3.269 -2.734) 5.514 11.397 ( -2.216 8.909 -4.405) 10.182 11.525 ( -0.637 -0.701 -6.910) 6.974 11.811 ( -1.667 -5.331 -2.139) 5.981 11.818 ( -4.055 -6.344 -3.795) 8.432 12.295 ( 1.680 -1.432 9.699) 9.947 12.354 ( 2.004 -6.607 7.689) 10.334 13.376 ( -1.333 3.418 -4.714) 5.973 13.426 ( -2.968 -0.525 -4.045) 5.044 14.030 ( -2.098 9.808 0.956) 10.076 14.266 ( -2.687 -9.122 -3.288) 10.062 14.546 ( -3.730 11.528 6.310) 13.661 14.789 ( -2.102 -11.648 -7.082) 13.794 14.995 ( 0.212 8.235 12.626) 15.076 15.178 ( -0.234 -7.445 9.901) 12.390 15.623 ( 1.446 4.771 -12.345) 13.314 15.741 ( 3.957 -5.596 -15.660) 17.094 16.156 ( 1.725 0.900 -4.889) 5.262 16.214 ( -0.648 -4.821 -6.310) 7.967 17.174 ( -3.146 12.111 19.010) 22.758 17.329 ( -4.142 -2.815 16.240) 16.995 18.031 ( 3.145 9.080 -16.765) 19.324 18.159 ( 3.393 -3.722 -15.253) 16.063 18.315 ( -0.982 3.652 15.264) 15.726 18.551 ( -0.595 -17.319 2.791) 17.553 19.381 ( -1.699 5.701 -16.704) 17.732 19.509 ( -0.333 -6.207 -17.298) 18.381 20.076 ( -0.151 5.665 1.716) 5.921 20.166 ( 2.084 -2.599 -6.220) 7.056 20.425 ( -0.055 4.717 3.881) 6.109 20.590 ( -1.301 -9.006 -1.876) 9.291 21.672 ( 4.372 11.492 8.388) 14.884 21.852 ( 5.119 -4.162 4.558) 8.018 22.016 ( -5.962 5.576 10.336) 13.171 22.088 ( -4.673 -0.170 1.437) 4.892 23.126 ( 0.875 0.281 -0.604) 1.100 23.187 ( -0.725 -5.689 -1.406) 5.905 23.418 ( -1.222 -0.861 3.371) 3.687 23.479 ( -1.157 -5.053 1.595) 5.423 24.681 ( -0.754 8.484 9.344) 12.643 24.782 ( 0.909 0.737 8.142) 8.226 24.961 ( 1.153 -2.472 5.589) 6.219 24.979 ( 1.473 -5.839 6.176) 8.626 25.745 ( -2.616 9.754 -13.529) 16.882 25.978 ( -1.665 -11.457 -18.860) 22.130 27.097 ( -1.548 9.333 13.434) 16.431 27.303 ( -0.183 -9.550 6.464) 11.533 28.542 ( 0.952 7.845 -7.448) 10.859 28.672 ( -0.520 -3.467 -14.456) 14.875 29.167 ( 0.354 3.927 -1.978) 4.411 29.237 ( -0.650 -1.669 -2.403) 2.997 29.373 ( -1.827 0.570 0.276) 1.934 29.433 ( 1.824 -4.769 -5.545) 7.538 30.467 ( 0.029 3.473 0.168) 3.478 30.529 ( -4.225 -2.071 -0.414) 4.724 31.325 ( -0.143 3.528 14.812) 15.227 31.378 ( -3.793 -0.764 15.070) 15.558 31.619 ( -0.162 3.192 0.927) 3.327 31.716 ( -1.115 -6.024 -1.733) 6.367 32.218 ( 1.300 6.698 -7.151) 9.884 32.279 ( 2.077 0.112 -9.167) 9.400 32.960 ( -2.407 -1.621 -0.029) 2.902 32.979 ( -2.959 -3.364 -0.891) 4.568 34.406 ( 3.554 25.503 23.013) 34.535 34.936 ( 4.004 -22.551 29.142) 37.065 35.338 ( 4.811 37.168 -18.640) 41.858 36.192 ( 5.194 -41.880 -28.896) 51.146 ======================= Grid point 193 (108/136) ======================= q-point: (-0.45 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( -4.281 1.449 1.918) 4.909 3.471 ( -2.461 -0.421 2.639) 3.632 3.985 ( -6.565 5.059 -3.697) 9.075 4.035 ( -3.725 1.061 -1.545) 4.170 4.181 ( -3.065 5.293 -0.612) 6.147 4.305 ( 8.634 -4.125 -0.372) 9.576 4.462 ( -1.717 7.199 2.055) 7.681 4.508 ( -0.407 4.491 0.336) 4.522 4.613 ( 1.232 -9.302 7.057) 11.741 4.759 ( -2.170 -14.894 -2.549) 15.266 5.137 ( 2.612 -0.131 1.182) 2.870 5.154 ( 1.078 -1.520 0.336) 1.894 6.214 ( 1.664 9.768 5.531) 11.348 6.460 ( -0.532 -10.552 -4.216) 11.376 6.662 ( -0.383 10.598 -3.575) 11.191 6.974 ( 2.934 -16.661 -11.718) 20.579 8.081 ( -0.761 4.696 14.709) 15.459 8.151 ( 3.355 -1.758 13.268) 13.798 8.837 ( -0.821 9.334 0.171) 9.372 8.951 ( -0.359 -0.455 -3.197) 3.250 9.262 ( -6.479 5.985 8.768) 12.437 9.402 ( -5.649 -5.364 2.255) 8.110 9.681 ( -1.783 0.365 -0.209) 1.832 9.746 ( 0.104 -3.570 -1.944) 4.066 10.055 ( 4.608 24.273 14.813) 28.807 10.254 ( -4.461 18.368 -7.763) 20.434 10.526 ( 1.139 -10.895 -1.413) 11.046 10.736 ( -1.129 -22.509 -3.758) 22.849 11.098 ( 5.625 2.927 -1.047) 6.427 11.134 ( 4.187 0.126 -6.194) 7.478 11.388 ( 1.519 6.195 -4.474) 7.791 11.528 ( 1.298 -2.514 -6.854) 7.415 11.778 ( 0.515 -2.739 -1.778) 3.306 11.813 ( 1.941 -7.780 -3.364) 8.696 12.328 ( 1.407 -0.075 8.651) 8.765 12.411 ( 3.091 -7.512 5.106) 9.595 13.344 ( -2.415 2.901 -0.267) 3.784 13.358 ( -2.946 -0.038 -5.811) 6.515 14.005 ( -0.515 7.618 2.899) 8.168 14.206 ( -2.552 -7.539 -2.802) 8.438 14.479 ( -2.417 12.793 8.400) 15.494 14.764 ( -0.208 -13.549 -3.971) 14.120 15.008 ( 0.941 6.645 11.447) 13.270 15.175 ( 0.131 -6.624 8.069) 10.440 15.627 ( -1.317 8.911 -12.567) 15.462 15.816 ( 2.501 -7.480 -15.457) 17.353 16.207 ( 2.920 -0.477 -7.111) 7.702 16.227 ( 2.938 -3.403 -8.799) 9.881 17.103 ( -3.809 9.306 18.194) 20.788 17.235 ( -5.055 -2.495 16.213) 17.165 18.101 ( 3.350 9.268 -10.623) 14.490 18.239 ( 4.237 -5.906 -5.467) 9.096 18.320 ( 1.514 6.439 7.726) 10.171 18.551 ( 0.760 -13.867 -3.333) 14.282 19.369 ( 1.013 5.127 -16.719) 17.516 19.515 ( 1.277 -8.246 -17.708) 19.576 20.052 ( -2.164 7.128 1.434) 7.586 20.184 ( -0.391 -5.154 -4.751) 7.021 20.438 ( 1.280 3.058 4.300) 5.430 20.553 ( -2.290 -7.101 -1.640) 7.640 21.745 ( 0.720 12.874 9.650) 16.105 21.868 ( -6.502 5.336 10.726) 13.630 21.890 ( -2.960 0.956 0.880) 3.233 22.023 ( 0.434 -5.549 6.045) 8.217 23.137 ( 0.839 0.316 -0.422) 0.991 23.198 ( 1.422 -4.950 -2.172) 5.590 23.452 ( 3.628 -1.040 3.024) 4.836 23.515 ( 4.656 -6.468 0.054) 7.970 24.695 ( 1.717 10.472 11.007) 15.289 24.821 ( 2.586 -0.058 7.833) 8.250 24.984 ( 1.031 -1.485 4.247) 4.616 25.027 ( 2.660 -6.396 4.431) 8.223 25.698 ( -1.550 10.396 -13.040) 16.749 25.945 ( -1.149 -11.831 -18.919) 22.343 27.072 ( -1.034 8.647 14.389) 16.819 27.289 ( -1.095 -10.909 6.906) 12.957 28.545 ( -0.554 7.317 -7.181) 10.267 28.647 ( -1.731 -1.874 -14.666) 14.886 29.118 ( -3.805 3.399 1.255) 5.254 29.201 ( -3.139 -4.230 -2.034) 5.647 29.382 ( 3.250 6.030 -1.827) 7.089 29.529 ( 6.113 -6.931 -6.825) 11.488 30.472 ( -0.870 2.456 -0.370) 2.631 30.501 ( 3.037 -0.160 0.867) 3.163 31.340 ( 1.177 -0.299 14.541) 14.591 31.343 ( -0.136 0.219 13.997) 14.000 31.630 ( 0.958 2.795 0.023) 2.955 31.696 ( -0.549 -3.456 0.701) 3.569 32.254 ( 2.681 7.102 -8.825) 11.641 32.327 ( 2.854 0.237 -10.047) 10.447 32.942 ( 0.559 -2.075 0.817) 2.299 32.963 ( 1.434 -3.661 -0.222) 3.938 34.399 ( -4.819 25.240 22.692) 34.281 34.932 ( -5.183 -24.015 30.153) 38.894 35.340 ( -4.144 38.768 -19.494) 43.591 36.201 ( -3.744 -41.859 -28.687) 50.883 ======================= Grid point 194 (109/136) ======================= q-point: (-0.36 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( -8.173 3.398 1.621) 8.999 3.376 ( -6.447 -2.158 2.945) 7.409 3.851 ( -5.839 3.732 -4.807) 8.434 3.888 ( -8.154 0.372 -0.916) 8.213 4.053 ( -10.670 10.037 1.110) 14.691 4.240 ( -11.118 -5.077 2.318) 12.440 4.473 ( -1.112 4.290 0.143) 4.435 4.560 ( 1.369 -1.260 0.444) 1.913 4.637 ( 4.597 -3.101 3.416) 6.513 4.772 ( 2.957 -11.596 -2.742) 12.277 5.191 ( 2.801 0.005 -0.334) 2.821 5.208 ( 3.763 -1.271 0.330) 3.986 6.277 ( 3.741 6.780 5.846) 9.702 6.466 ( 1.069 -9.481 -2.218) 9.796 6.706 ( 4.498 12.484 -2.361) 13.478 7.057 ( 4.818 -18.945 -9.009) 21.524 8.064 ( -1.054 8.632 11.253) 14.222 8.233 ( 3.351 -6.954 13.183) 15.277 8.823 ( -0.896 12.637 0.407) 12.675 8.902 ( -5.294 3.678 -10.677) 12.472 9.136 ( -3.992 -2.451 15.479) 16.173 9.230 ( -10.234 -9.055 5.834) 14.858 9.631 ( -3.373 3.242 -1.931) 5.061 9.699 ( -4.735 -2.697 -1.597) 5.678 10.126 ( -0.898 23.208 6.465) 24.109 10.168 ( -0.274 16.086 2.090) 16.223 10.531 ( -0.292 -7.757 -4.875) 9.167 10.696 ( -1.860 -19.775 -1.677) 19.933 11.212 ( 4.731 3.118 -4.637) 7.321 11.220 ( 4.763 4.280 -6.538) 9.151 11.444 ( 3.599 3.096 -5.118) 6.981 11.588 ( 4.847 -3.977 -5.810) 8.548 11.838 ( 4.988 -2.022 -1.902) 5.708 11.904 ( 7.028 -9.581 -3.766) 12.465 12.355 ( 0.953 2.372 5.418) 5.991 12.477 ( 2.905 -9.000 2.731) 9.844 13.265 ( -4.059 3.911 -1.497) 5.832 13.315 ( -1.748 -1.548 -0.612) 2.414 13.994 ( -0.932 7.795 5.391) 9.523 14.178 ( 0.002 -6.294 -1.361) 6.440 14.467 ( 1.349 14.755 8.928) 17.299 14.778 ( 1.317 -11.813 -0.275) 11.889 15.040 ( 1.857 1.860 8.255) 8.663 15.184 ( 0.241 -6.828 5.465) 8.749 15.557 ( -4.694 13.077 -11.666) 18.141 15.818 ( -1.646 -10.798 -13.095) 17.053 16.276 ( 4.405 1.042 -7.853) 9.065 16.338 ( 6.947 -5.372 -12.818) 15.538 17.028 ( -3.757 5.362 16.284) 17.551 17.134 ( -4.857 -3.395 14.902) 16.037 18.153 ( 1.705 8.433 0.227) 8.607 18.302 ( 1.760 -7.290 9.715) 12.272 18.402 ( 5.763 9.308 -9.330) 14.384 18.587 ( 3.120 -7.697 -11.081) 13.848 19.415 ( 3.623 3.642 -14.780) 15.648 19.551 ( 2.446 -9.285 -15.641) 18.353 19.992 ( -3.334 7.766 0.942) 8.504 20.153 ( -2.250 -6.815 -3.021) 7.787 20.467 ( 0.958 -0.674 3.111) 3.324 20.489 ( -3.967 -2.889 -0.570) 4.941 21.666 ( -5.458 7.704 8.123) 12.454 21.719 ( -8.034 4.114 6.585) 11.173 21.895 ( 2.423 6.480 6.282) 9.344 22.044 ( 0.017 -4.855 7.768) 9.160 23.175 ( 3.204 2.360 -2.302) 4.597 23.264 ( 5.028 -5.826 1.473) 7.835 23.548 ( 5.783 0.808 2.026) 6.181 23.655 ( 7.965 -8.486 -0.301) 11.642 24.753 ( 3.591 11.508 10.708) 16.124 24.889 ( 3.659 -0.236 6.461) 7.428 25.001 ( 0.363 0.552 0.749) 0.999 25.083 ( 2.605 -7.952 3.225) 8.968 25.679 ( 0.069 10.017 -11.248) 15.063 25.921 ( -0.741 -11.437 -17.522) 20.938 27.067 ( 0.363 6.421 14.452) 15.818 27.270 ( -0.723 -11.304 7.410) 13.535 28.520 ( -1.412 6.069 -6.558) 9.047 28.591 ( -3.238 -0.685 -14.411) 14.786 29.056 ( -1.651 3.680 2.326) 4.656 29.139 ( -1.993 -4.057 -1.467) 4.752 29.468 ( 4.322 8.417 -3.178) 9.981 29.655 ( 5.906 -8.212 -6.378) 11.959 30.480 ( 1.194 6.983 -0.283) 7.090 30.586 ( 4.490 -2.442 2.186) 5.559 31.351 ( -0.367 0.282 11.340) 11.349 31.370 ( 0.964 -2.301 11.798) 12.059 31.641 ( -0.073 2.396 3.132) 3.945 31.696 ( 0.171 -2.429 4.220) 4.873 32.350 ( 7.188 5.415 -11.457) 14.569 32.402 ( 4.793 1.013 -11.465) 12.468 32.980 ( 2.663 -0.766 2.057) 3.451 33.017 ( 3.075 -3.466 -0.441) 4.654 34.227 ( -11.559 23.932 21.640) 34.272 34.744 ( -12.975 -24.942 30.804) 41.706 35.167 ( -11.601 39.571 -20.021) 45.840 36.028 ( -12.123 -42.170 -28.475) 52.307 ======================= Grid point 195 (110/136) ======================= q-point: (-0.27 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( -10.905 5.952 1.947) 12.576 3.216 ( -8.687 -3.313 2.807) 9.712 3.675 ( -14.058 8.006 4.673) 16.839 3.727 ( -6.670 1.191 -2.570) 7.246 3.830 ( -7.362 5.937 -3.451) 10.067 3.998 ( -10.918 -6.159 1.769) 12.659 4.373 ( -7.157 2.558 -0.235) 7.604 4.487 ( -5.808 -7.055 0.277) 9.142 4.787 ( 3.841 1.398 0.690) 4.145 4.841 ( 5.170 -3.162 -0.433) 6.076 5.241 ( 1.734 2.077 -1.451) 3.070 5.310 ( 5.846 -3.630 -1.850) 7.126 6.352 ( 2.950 4.789 4.779) 7.381 6.488 ( 0.645 -6.422 -2.120) 6.793 6.845 ( 8.718 9.582 0.634) 12.970 7.159 ( 5.029 -18.898 -5.670) 20.361 8.025 ( -3.541 9.173 6.120) 11.581 8.249 ( -3.354 -11.748 6.115) 13.662 8.700 ( -8.457 12.736 0.307) 15.292 8.846 ( -0.601 3.696 -3.047) 4.828 9.016 ( -9.408 -6.277 10.779) 15.623 9.094 ( -2.391 -7.378 11.608) 13.961 9.531 ( -5.526 2.843 -4.237) 7.522 9.580 ( -5.119 -1.155 -0.934) 5.330 10.069 ( -1.579 20.970 -2.811) 21.217 10.228 ( 3.651 11.378 14.508) 18.795 10.528 ( 0.330 -2.537 -7.268) 7.705 10.686 ( 1.351 -13.950 -0.049) 14.015 11.282 ( 2.456 2.514 -8.048) 8.782 11.321 ( 4.131 2.779 -2.238) 5.458 11.549 ( 7.159 4.101 -8.039) 11.520 11.729 ( 8.464 -5.292 -4.030) 10.765 11.961 ( 6.272 -0.310 -2.799) 6.875 12.090 ( 9.898 -10.949 -4.761) 15.509 12.369 ( 0.388 4.126 0.326) 4.157 12.520 ( 0.965 -9.925 -0.595) 9.990 13.195 ( -2.255 5.205 1.352) 5.832 13.295 ( 0.190 -3.512 3.749) 5.140 13.971 ( -1.095 11.421 6.217) 13.050 14.194 ( 1.100 -7.051 0.750) 7.175 14.536 ( 4.648 15.682 7.468) 17.980 14.801 ( 0.462 -4.598 2.475) 5.242 15.076 ( 0.865 -4.827 4.051) 6.360 15.170 ( -2.208 -7.548 1.971) 8.108 15.474 ( -1.295 12.856 -8.493) 15.462 15.766 ( -2.614 -14.665 -8.408) 17.105 16.380 ( 5.485 3.874 -7.927) 10.389 16.482 ( 6.666 -6.450 -13.169) 16.107 16.952 ( -3.755 2.218 12.239) 12.992 17.045 ( -3.805 -5.288 11.866) 13.537 18.170 ( -0.114 9.137 2.401) 9.448 18.330 ( 0.789 -5.835 9.191) 10.915 18.520 ( 5.722 7.912 -9.136) 13.372 18.676 ( 5.325 -4.072 -13.660) 15.216 19.499 ( 4.326 2.647 -13.397) 14.325 19.607 ( 2.988 -8.361 -10.915) 14.071 19.926 ( -2.784 7.813 1.178) 8.377 20.097 ( -2.891 -7.812 -2.501) 8.697 20.390 ( -5.231 1.856 1.367) 5.716 20.468 ( -0.865 -5.593 1.930) 5.980 21.545 ( -7.788 8.995 5.842) 13.255 21.585 ( -3.587 3.103 9.116) 10.276 21.946 ( 2.071 3.357 4.811) 6.221 22.025 ( -1.444 -3.723 6.106) 7.296 23.280 ( 6.755 4.773 1.490) 8.404 23.384 ( 5.674 -3.854 6.711) 9.596 23.711 ( 10.166 0.699 -0.701) 10.214 23.830 ( 8.772 -9.021 -1.740) 12.703 24.845 ( 4.850 11.761 8.839) 15.491 24.968 ( 3.125 0.687 3.785) 4.956 25.001 ( 0.431 2.763 -2.319) 3.632 25.140 ( 3.083 -10.395 1.690) 10.973 25.701 ( 2.304 8.013 -7.929) 11.506 25.911 ( 0.283 -10.273 -14.213) 17.539 27.092 ( 1.474 3.584 13.198) 13.756 27.262 ( -0.422 -10.804 6.850) 12.799 28.495 ( -0.699 3.819 -5.787) 6.969 28.521 ( -2.529 0.938 -12.872) 13.152 29.057 ( 1.748 4.556 2.445) 5.458 29.136 ( 1.915 -2.976 -0.485) 3.571 29.553 ( 4.113 10.502 -4.388) 12.102 29.770 ( 5.448 -8.764 -5.614) 11.748 30.500 ( 0.257 10.797 -0.538) 10.814 30.665 ( 2.578 -3.699 3.252) 5.559 31.288 ( -6.489 1.536 4.704) 8.160 31.362 ( -2.857 -5.746 11.461) 13.135 31.647 ( 0.824 1.278 10.117) 10.231 31.693 ( -0.301 -2.582 5.659) 6.227 32.499 ( 5.604 5.679 -13.577) 15.748 32.554 ( 9.861 -0.329 -12.063) 15.584 33.021 ( 0.153 1.395 2.957) 3.273 33.064 ( 1.277 -2.212 -0.852) 2.692 33.974 ( -11.797 20.545 18.869) 30.287 34.426 ( -18.024 -21.723 28.151) 39.866 34.891 ( -12.670 35.229 -17.871) 41.485 35.694 ( -18.856 -40.726 -27.124) 52.440 ======================= Grid point 196 (111/136) ======================= q-point: (-0.18 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -12.970 9.921 4.104) 16.837 3.029 ( -8.880 -5.016 2.338) 10.463 3.365 ( -13.827 14.515 7.716) 21.481 3.571 ( -7.574 -4.450 0.992) 8.840 3.722 ( -4.474 4.537 -6.358) 9.002 3.815 ( -6.901 -3.841 -0.619) 7.922 4.218 ( -6.729 2.731 -0.991) 7.329 4.364 ( -5.247 -9.323 -2.619) 11.014 4.761 ( -4.030 12.819 7.541) 15.409 4.976 ( 5.706 -6.183 0.078) 8.414 5.268 ( 1.017 4.598 -3.159) 5.671 5.426 ( 4.824 -7.513 -4.424) 9.964 6.394 ( 1.092 3.792 2.099) 4.469 6.481 ( -1.257 -3.173 -3.202) 4.680 7.046 ( 9.619 3.722 1.895) 10.487 7.254 ( 3.735 -16.077 -2.768) 16.735 7.914 ( -6.452 5.607 0.397) 8.557 8.087 ( -10.511 -10.140 -1.380) 14.670 8.569 ( -5.079 11.016 8.171) 14.626 8.777 ( -6.122 -8.252 0.076) 10.275 8.879 ( -4.604 3.446 8.619) 10.361 8.995 ( -6.228 -7.135 7.373) 12.002 9.475 ( 0.889 2.562 -0.802) 2.828 9.516 ( -0.986 -0.563 -1.152) 1.617 10.078 ( 2.494 19.557 -0.672) 19.727 10.327 ( 5.523 2.079 13.244) 14.499 10.546 ( 1.599 8.099 -6.201) 10.325 10.759 ( 5.554 -8.751 3.549) 10.955 11.312 ( 0.635 1.549 -7.306) 7.496 11.382 ( 1.937 -1.778 -2.078) 3.351 11.729 ( 9.290 3.479 -8.687) 13.186 11.910 ( 7.983 -7.536 -2.950) 11.368 12.076 ( 4.388 4.740 -2.007) 6.764 12.234 ( 2.606 -4.187 -4.237) 6.502 12.384 ( 0.469 -2.085 -7.277) 7.584 12.520 ( 0.015 -10.294 -6.047) 11.939 13.198 ( 3.308 7.454 6.123) 10.198 13.343 ( 4.858 -4.783 6.644) 9.519 13.960 ( -0.156 14.477 6.022) 15.680 14.205 ( -0.585 -5.414 1.563) 5.665 14.633 ( 3.718 11.874 3.077) 12.817 14.786 ( -2.087 0.334 2.957) 3.634 15.051 ( -3.510 -3.421 0.300) 4.910 15.113 ( -1.403 -4.934 3.823) 6.398 15.535 ( 6.311 0.717 -4.749) 7.930 15.715 ( -2.133 -14.459 -4.007) 15.155 16.489 ( 4.942 6.504 -5.952) 10.107 16.595 ( 4.259 -5.046 -9.703) 11.737 16.886 ( -2.539 0.150 6.564) 7.040 16.984 ( -2.226 -7.815 7.362) 10.965 18.151 ( -1.509 11.038 -5.409) 12.384 18.336 ( -0.580 -5.374 3.830) 6.625 18.641 ( 5.781 4.781 1.660) 7.684 18.780 ( 4.512 -3.922 -13.152) 14.447 19.576 ( 3.181 2.666 -11.785) 12.494 19.651 ( 0.835 -4.694 -7.481) 8.871 19.889 ( -0.580 6.592 2.282) 7.000 20.036 ( -2.681 -6.799 -2.447) 7.707 20.292 ( -3.695 4.769 3.400) 6.925 20.447 ( -0.652 -9.656 0.917) 9.721 21.384 ( -7.397 11.873 7.051) 15.665 21.526 ( -2.830 -1.405 7.630) 8.258 21.952 ( -1.533 2.726 5.716) 6.516 22.030 ( 2.051 -4.874 -0.725) 5.337 23.428 ( 6.169 4.891 11.550) 13.977 23.491 ( 4.604 -0.247 9.173) 10.266 23.955 ( 12.037 -1.410 -3.677) 12.665 24.014 ( 8.833 -6.206 -3.113) 11.235 24.941 ( 3.480 10.938 5.238) 12.617 24.975 ( -0.281 5.137 -2.559) 5.746 25.072 ( 4.695 1.750 -0.362) 5.024 25.243 ( 7.757 -12.706 -0.141) 14.887 25.771 ( 4.393 5.135 -4.685) 8.223 25.933 ( 2.145 -8.969 -10.369) 13.877 27.113 ( -0.232 0.891 11.086) 11.125 27.239 ( -2.353 -9.598 4.747) 10.964 28.483 ( 0.303 3.287 -7.008) 7.746 28.517 ( 2.211 0.561 -7.637) 7.971 29.132 ( 5.232 5.833 2.381) 8.190 29.207 ( 4.233 -1.545 -0.042) 4.507 29.654 ( 6.478 13.030 -5.478) 15.548 29.893 ( 6.962 -8.250 -4.505) 11.697 30.477 ( -2.540 13.397 -1.285) 13.696 30.682 ( -1.200 -3.928 3.600) 5.462 31.085 ( -12.457 1.658 1.516) 12.658 31.229 ( -10.169 -11.071 9.575) 17.823 31.672 ( 1.322 1.025 11.673) 11.792 31.714 ( 2.581 -3.220 11.971) 12.663 32.562 ( -0.182 7.037 -11.482) 13.468 32.667 ( -2.044 -3.523 -8.139) 9.101 33.016 ( 1.813 4.485 0.039) 4.838 33.074 ( 0.330 -0.740 -4.559) 4.630 33.779 ( -7.960 11.569 13.143) 19.234 34.001 ( -22.690 -7.142 14.446) 27.831 34.716 ( -3.033 18.696 -7.258) 20.284 35.270 ( -19.758 -32.038 -21.722) 43.459 ======================= Grid point 197 (112/136) ======================= q-point: (-0.09 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -8.003 14.825 7.405) 18.403 2.872 ( -5.641 -6.765 0.984) 8.864 3.141 ( -7.563 18.791 11.305) 23.197 3.445 ( -4.043 -7.362 1.164) 8.479 3.619 ( -5.015 3.460 -7.582) 9.727 3.689 ( -5.199 -3.156 -4.076) 7.321 4.124 ( -2.310 3.746 -0.952) 4.503 4.274 ( -3.700 -7.346 -5.079) 9.667 4.678 ( -2.973 21.316 14.120) 25.741 5.061 ( 2.532 -11.921 2.024) 12.354 5.282 ( 0.299 5.967 -4.973) 7.774 5.494 ( 1.748 -10.451 -5.732) 12.047 6.409 ( 0.730 2.779 -0.684) 2.953 6.446 ( -1.588 -0.184 -4.310) 4.597 7.197 ( 3.968 -2.916 1.048) 5.035 7.293 ( -0.004 -13.182 -2.100) 13.348 7.811 ( -2.479 2.623 -0.042) 3.609 7.893 ( -6.955 -4.721 -0.256) 8.410 8.455 ( -5.733 9.894 4.964) 12.466 8.637 ( -6.257 -6.969 -3.144) 9.879 8.799 ( -2.380 1.950 9.660) 10.139 8.910 ( -2.125 -8.153 9.398) 12.622 9.509 ( 0.731 1.727 -0.392) 1.916 9.539 ( 3.006 -0.543 -2.717) 4.088 10.166 ( 5.629 17.864 2.122) 18.849 10.445 ( 4.892 -6.849 7.119) 11.023 10.587 ( 2.017 21.628 -0.391) 21.725 10.902 ( 7.233 -6.841 8.798) 13.286 11.301 ( -1.699 1.650 -9.013) 9.319 11.415 ( 1.408 -6.934 0.790) 7.120 11.864 ( 2.058 2.876 -3.941) 5.295 12.003 ( -0.182 -9.750 -3.390) 10.324 12.132 ( 0.787 4.118 -0.194) 4.197 12.254 ( -0.330 -3.141 -5.561) 6.396 12.334 ( -1.463 3.475 -8.693) 9.476 12.537 ( 1.091 -11.404 -13.421) 17.645 13.345 ( 9.771 9.977 6.817) 15.540 13.503 ( 9.437 -2.402 6.530) 11.725 13.960 ( 0.090 12.162 4.608) 13.006 14.157 ( -3.921 -1.762 1.056) 4.426 14.671 ( -0.029 2.012 -0.864) 2.190 14.703 ( -5.848 -1.118 1.965) 6.270 15.009 ( 0.437 3.541 4.603) 5.823 15.114 ( 0.933 -4.413 2.949) 5.389 15.663 ( 1.057 -9.621 -0.257) 9.682 15.685 ( 3.200 -7.825 -2.727) 8.883 16.573 ( 2.522 8.129 -7.055) 11.055 16.657 ( 2.360 -1.169 -4.723) 5.407 16.853 ( -1.042 -2.002 0.031) 2.258 16.966 ( 0.944 -9.450 8.056) 12.454 18.119 ( -0.996 10.431 -14.128) 17.590 18.300 ( -2.927 -5.512 -3.310) 7.064 18.744 ( 3.317 2.213 12.755) 13.364 18.848 ( 2.092 -4.265 -8.724) 9.933 19.609 ( -0.859 2.710 -8.806) 9.254 19.638 ( -0.670 -2.629 -8.071) 8.515 19.895 ( 0.732 5.484 2.950) 6.270 20.001 ( -0.393 -3.973 -1.235) 4.179 20.254 ( 0.252 6.876 3.954) 7.935 20.453 ( 1.003 -9.876 -1.794) 10.088 21.260 ( -4.147 11.067 8.561) 14.594 21.462 ( -3.245 -6.769 6.125) 9.689 21.921 ( -1.235 6.262 4.202) 7.642 22.075 ( 1.963 -7.616 -4.572) 9.097 23.510 ( 1.666 4.970 18.883) 19.597 23.583 ( 3.316 -1.549 10.606) 11.220 24.122 ( 3.750 1.908 -5.047) 6.571 24.204 ( 8.042 -6.128 -1.452) 10.214 24.972 ( 0.571 4.933 -0.141) 4.968 24.983 ( 0.199 6.882 2.409) 7.294 25.186 ( 5.706 7.501 -3.870) 10.189 25.449 ( 10.007 -15.438 -5.909) 19.323 25.869 ( 4.681 3.252 -3.154) 6.514 25.993 ( 3.639 -7.987 -7.562) 11.585 27.080 ( -2.745 -0.733 8.946) 9.386 27.167 ( -3.903 -8.186 3.110) 9.588 28.514 ( 2.316 4.664 -3.330) 6.181 28.585 ( 3.993 -2.023 -7.335) 8.593 29.247 ( 4.613 4.629 1.485) 6.702 29.284 ( 2.849 0.829 -0.665) 3.041 29.856 ( 13.123 14.908 -4.917) 20.461 30.068 ( 9.419 -4.420 -1.775) 10.555 30.389 ( -6.065 15.719 -3.266) 17.162 30.602 ( -7.629 -0.376 1.267) 7.743 30.841 ( -7.494 -5.878 0.572) 9.541 30.973 ( -13.080 -15.147 6.494) 21.041 31.725 ( 3.763 2.765 14.365) 15.105 31.804 ( 5.643 -5.210 17.107) 18.752 32.493 ( -4.692 2.462 -5.333) 7.518 32.519 ( -8.536 -0.257 -1.702) 8.708 33.020 ( -4.352 4.972 -5.723) 8.742 33.083 ( -2.194 -1.372 -5.911) 6.453 33.573 ( -13.079 1.360 4.161) 13.792 33.616 ( -8.554 -2.044 -2.803) 9.231 34.724 ( 2.099 8.682 0.484) 8.945 34.949 ( -9.339 -13.124 -10.072) 18.997 ======================= Grid point 231 (113/136) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 10.801 0.000 -6.248) 12.478 2.267 ( -10.801 0.000 6.248) 12.478 2.428 ( 1.399 0.000 -12.984) 13.059 2.428 ( -1.399 0.000 12.984) 13.059 3.517 ( 7.567 0.000 -15.953) 17.657 3.517 ( -7.567 0.000 15.953) 17.657 3.977 ( 2.919 0.000 -16.802) 17.054 3.977 ( -2.919 0.000 16.802) 17.054 4.908 ( 1.279 0.000 -10.942) 11.017 4.908 ( -1.279 0.000 10.942) 11.017 5.704 ( -0.554 0.000 -2.649) 2.706 5.704 ( 0.554 0.000 2.649) 2.706 6.558 ( -2.241 0.000 -5.482) 5.922 6.558 ( 2.241 0.000 5.482) 5.922 7.619 ( 5.123 0.000 -10.057) 11.287 7.619 ( -5.123 0.000 10.057) 11.287 7.796 ( 6.201 0.000 -11.849) 13.374 7.796 ( -6.201 0.000 11.849) 13.374 8.452 ( 1.498 0.000 -6.549) 6.718 8.452 ( -1.498 0.000 6.549) 6.718 8.984 ( 5.832 0.000 -6.331) 8.607 8.984 ( -5.832 0.000 6.331) 8.607 9.509 ( -0.937 0.000 -2.015) 2.222 9.509 ( 0.937 0.000 2.015) 2.222 9.823 ( 3.235 0.000 -11.391) 11.842 9.823 ( -3.235 0.000 11.391) 11.842 10.675 ( -1.044 0.000 -4.484) 4.604 10.675 ( 1.044 0.000 4.484) 4.604 11.392 ( -2.483 0.000 -28.246) 28.355 11.392 ( 2.483 0.000 28.246) 28.355 11.628 ( 9.234 0.000 -6.791) 11.463 11.628 ( -9.234 0.000 6.791) 11.463 12.434 ( 1.659 0.000 -9.076) 9.227 12.434 ( -1.659 0.000 9.076) 9.227 12.872 ( 0.334 0.000 -17.517) 17.520 12.872 ( -0.334 0.000 17.517) 17.520 13.184 ( 0.130 0.000 -6.300) 6.301 13.184 ( -0.130 0.000 6.300) 6.301 13.779 ( -8.065 0.000 -2.465) 8.433 13.779 ( 8.065 0.000 2.465) 8.433 14.320 ( 3.239 0.000 -14.754) 15.105 14.320 ( -3.239 0.000 14.754) 15.105 15.292 ( 0.873 0.000 -8.298) 8.343 15.292 ( -0.873 0.000 8.298) 8.343 16.335 ( -2.229 0.000 -14.850) 15.016 16.335 ( 2.229 0.000 14.850) 15.016 16.702 ( -12.838 0.000 3.015) 13.187 16.702 ( 12.838 0.000 -3.015) 13.187 17.500 ( 4.589 0.000 -12.983) 13.770 17.500 ( -4.589 0.000 12.983) 13.770 17.901 ( -7.604 0.000 -3.399) 8.329 17.901 ( 7.604 0.000 3.399) 8.329 18.630 ( -7.418 0.000 -4.000) 8.428 18.630 ( 7.418 0.000 4.000) 8.428 19.546 ( 3.230 0.000 -5.564) 6.434 19.546 ( -3.230 0.000 5.564) 6.434 19.911 ( -8.065 0.000 -3.057) 8.625 19.911 ( 8.065 0.000 3.057) 8.625 20.298 ( -2.164 0.000 -7.690) 7.989 20.298 ( 2.164 0.000 7.690) 7.989 21.572 ( 3.872 0.000 -12.721) 13.297 21.572 ( -3.872 0.000 12.721) 13.297 21.934 ( 0.571 0.000 -14.175) 14.187 21.934 ( -0.571 0.000 14.175) 14.187 23.694 ( 10.047 0.000 -15.519) 18.487 23.694 ( -10.047 0.000 15.519) 18.487 23.852 ( -6.119 0.000 0.324) 6.128 23.852 ( 6.119 0.000 -0.324) 6.128 24.845 ( -5.718 0.000 -9.129) 10.772 24.845 ( 5.718 0.000 9.129) 10.772 25.649 ( 1.048 0.000 -14.994) 15.030 25.649 ( -1.048 0.000 14.994) 15.030 26.473 ( -6.548 0.000 -12.954) 14.515 26.473 ( 6.548 0.000 12.954) 14.515 27.778 ( 5.790 0.000 -10.618) 12.094 27.778 ( -5.790 0.000 10.618) 12.094 28.347 ( 17.469 0.000 -10.349) 20.305 28.347 ( -17.469 0.000 10.349) 20.305 28.860 ( -1.551 0.000 -3.741) 4.049 28.860 ( 1.551 0.000 3.741) 4.049 29.439 ( -3.001 0.000 -1.433) 3.325 29.439 ( 3.001 0.000 1.433) 3.325 30.266 ( 3.814 0.000 -10.452) 11.126 30.266 ( -3.814 0.000 10.452) 11.126 31.425 ( -9.988 0.000 -3.514) 10.588 31.425 ( 9.988 0.000 3.514) 10.588 31.798 ( 9.597 0.000 -16.663) 19.229 31.798 ( -9.597 0.000 16.663) 19.229 32.653 ( -2.865 0.000 -5.721) 6.399 32.653 ( 2.865 0.000 5.721) 6.399 33.095 ( -13.186 0.000 -2.829) 13.486 33.095 ( 13.186 0.000 2.829) 13.486 33.419 ( -7.870 0.000 1.472) 8.006 33.419 ( 7.870 0.000 -1.472) 8.006 34.504 ( -2.978 0.000 -3.093) 4.293 34.504 ( 2.978 0.000 3.093) 4.293 ======================= Grid point 233 (114/136) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 6.220 0.000 5.451) 8.270 2.504 ( 12.905 0.000 -23.018) 26.389 2.646 ( 17.629 0.000 -3.919) 18.059 2.726 ( 24.897 0.000 27.288) 36.939 3.449 ( 1.190 0.000 12.521) 12.577 3.741 ( 13.417 0.000 -12.173) 18.116 3.958 ( 1.300 0.000 15.310) 15.365 4.067 ( 6.704 0.000 -19.258) 20.392 4.866 ( -2.715 0.000 8.469) 8.893 4.909 ( -0.925 0.000 -12.519) 12.553 5.647 ( -4.135 0.000 -2.775) 4.980 5.656 ( -4.836 0.000 1.947) 5.214 6.562 ( 2.027 0.000 -1.572) 2.565 6.637 ( 3.765 0.000 5.224) 6.439 7.489 ( -7.255 0.000 9.098) 11.636 7.594 ( -6.133 0.000 -12.626) 14.037 7.821 ( 6.174 0.000 10.431) 12.121 7.960 ( 7.906 0.000 -10.657) 13.269 8.479 ( 3.572 0.000 10.871) 11.443 8.532 ( 5.216 0.000 -5.062) 7.268 8.884 ( -2.962 0.000 15.815) 16.090 9.108 ( 6.328 0.000 0.611) 6.358 9.511 ( 1.031 0.000 -2.868) 3.048 9.566 ( 5.015 0.000 0.059) 5.015 9.709 ( -7.247 0.000 7.880) 10.706 9.832 ( -1.765 0.000 -12.399) 12.524 10.636 ( -2.248 0.000 -5.326) 5.781 10.675 ( -0.904 0.000 4.684) 4.770 11.222 ( -13.089 0.000 -22.894) 26.371 11.432 ( 1.190 0.000 25.774) 25.802 11.536 ( -0.389 0.000 -0.245) 0.460 11.818 ( 8.011 0.000 -0.352) 8.019 12.258 ( -13.273 0.000 12.931) 18.530 12.343 ( -7.273 0.000 -5.001) 8.827 12.919 ( 2.699 0.000 10.982) 11.309 12.931 ( 4.373 0.000 -14.540) 15.184 13.204 ( 1.184 0.000 -7.423) 7.516 13.228 ( 3.956 0.000 6.094) 7.265 13.569 ( -10.106 0.000 -4.589) 11.099 13.865 ( 0.285 0.000 -5.650) 5.657 14.261 ( -3.004 0.000 13.492) 13.822 14.397 ( 3.836 0.000 -13.430) 13.967 15.329 ( 3.753 0.000 8.017) 8.852 15.350 ( 4.084 0.000 -9.642) 10.471 16.258 ( -4.694 0.000 -15.109) 15.822 16.343 ( -4.805 0.000 8.709) 9.947 16.429 ( -9.198 0.000 7.997) 12.188 16.907 ( 6.454 0.000 -3.901) 7.541 17.406 ( -4.183 0.000 12.468) 13.151 17.561 ( 1.054 0.000 -14.470) 14.508 17.752 ( -6.877 0.000 -0.501) 6.896 18.078 ( 9.239 0.000 5.900) 10.962 18.446 ( -10.087 0.000 -0.879) 10.126 18.745 ( 3.154 0.000 6.151) 6.913 19.494 ( -1.656 0.000 6.121) 6.341 19.621 ( 4.185 0.000 -4.607) 6.224 19.769 ( -6.041 0.000 1.323) 6.184 20.096 ( 7.205 0.000 -4.855) 8.688 20.233 ( -1.028 0.000 -3.827) 3.963 20.323 ( 1.364 0.000 7.709) 7.829 21.456 ( -6.900 0.000 6.522) 9.494 21.598 ( -0.804 0.000 -20.385) 20.401 21.940 ( 0.550 0.000 16.043) 16.052 21.962 ( 2.060 0.000 -8.908) 9.143 23.455 ( -12.602 0.000 9.177) 15.590 23.749 ( -3.808 0.000 9.768) 10.483 23.857 ( 6.136 0.000 -23.291) 24.086 23.989 ( 6.205 0.000 10.261) 11.991 24.706 ( -6.751 0.000 -10.295) 12.311 24.932 ( 2.303 0.000 8.355) 8.666 25.452 ( -17.524 0.000 13.688) 22.237 25.539 ( -9.255 0.000 -13.637) 16.481 26.290 ( -9.462 0.000 -5.688) 11.040 26.502 ( -4.567 0.000 3.730) 5.896 27.591 ( -9.798 0.000 16.678) 19.343 27.853 ( 2.778 0.000 -9.181) 9.592 28.032 ( -8.867 0.000 2.741) 9.280 28.470 ( -5.486 0.000 -17.184) 18.038 28.938 ( 4.575 0.000 1.276) 4.750 28.967 ( 10.877 0.000 -1.068) 10.930 29.374 ( -3.231 0.000 -2.321) 3.978 29.515 ( 4.766 0.000 -1.286) 4.936 30.208 ( -1.789 0.000 9.490) 9.657 30.336 ( 2.370 0.000 -8.955) 9.263 31.268 ( -3.622 0.000 -10.514) 11.120 31.534 ( -3.335 0.000 6.497) 7.303 31.695 ( 1.668 0.000 16.551) 16.635 32.027 ( 12.014 0.000 -15.169) 19.350 32.636 ( 0.638 0.000 2.819) 2.891 32.690 ( -7.576 0.000 -6.192) 9.785 32.780 ( -5.923 0.000 -8.291) 10.190 33.006 ( -15.243 0.000 13.773) 20.544 33.357 ( 4.046 0.000 -1.127) 4.200 33.394 ( -5.713 0.000 4.476) 7.257 35.008 ( 40.044 0.000 -30.990) 50.635 35.090 ( 40.244 0.000 30.981) 50.788 ======================= Grid point 234 (115/136) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 15.811 0.000 8.382) 17.895 2.837 ( 18.169 0.000 -13.065) 22.379 3.059 ( 20.035 0.000 -0.841) 20.053 3.186 ( 15.192 0.000 11.289) 18.927 3.596 ( 11.734 0.000 4.706) 12.643 3.975 ( 7.096 0.000 -4.971) 8.664 4.086 ( 12.387 0.000 12.194) 17.382 4.312 ( 17.515 0.000 -15.448) 23.355 4.810 ( -2.487 0.000 5.753) 6.267 4.882 ( -0.424 0.000 -12.258) 12.265 5.526 ( -7.259 0.000 1.979) 7.524 5.546 ( -5.497 0.000 -1.025) 5.592 6.597 ( 0.157 0.000 3.304) 3.308 6.669 ( -1.145 0.000 2.918) 3.134 7.327 ( -7.851 0.000 11.584) 13.993 7.442 ( -7.706 0.000 -15.653) 17.447 7.926 ( 2.845 0.000 6.808) 7.379 8.052 ( 0.527 0.000 -12.567) 12.578 8.570 ( -2.480 0.000 -2.079) 3.236 8.578 ( 4.557 0.000 8.443) 9.595 8.951 ( 9.356 0.000 22.624) 24.483 9.277 ( 10.522 0.000 6.124) 12.174 9.527 ( -0.578 0.000 0.432) 0.722 9.538 ( -7.878 0.000 5.167) 9.422 9.740 ( 10.282 0.000 -3.662) 10.915 9.778 ( -1.890 0.000 -13.001) 13.138 10.587 ( -2.522 0.000 -3.731) 4.503 10.652 ( -1.168 0.000 5.557) 5.679 10.917 ( -14.310 0.000 -24.119) 28.045 11.422 ( -3.386 0.000 26.829) 27.042 11.533 ( 0.080 0.000 -2.115) 2.116 11.926 ( -5.089 0.000 3.711) 6.299 12.024 ( 0.066 0.000 8.699) 8.699 12.226 ( -3.102 0.000 -7.640) 8.245 12.893 ( -6.970 0.000 1.033) 7.046 13.000 ( 1.248 0.000 -7.505) 7.608 13.239 ( 3.443 0.000 -9.679) 10.273 13.315 ( 3.790 0.000 5.618) 6.777 13.455 ( 0.257 0.000 2.986) 2.997 13.812 ( -4.599 0.000 -8.975) 10.085 14.211 ( -1.464 0.000 13.812) 13.890 14.439 ( 0.079 0.000 -13.895) 13.895 15.413 ( 3.189 0.000 6.921) 7.620 15.422 ( 2.513 0.000 -12.632) 12.880 16.116 ( -10.762 0.000 3.383) 11.281 16.143 ( -5.806 0.000 -12.534) 13.813 16.395 ( 0.335 0.000 14.458) 14.461 16.962 ( -1.037 0.000 -5.951) 6.041 17.339 ( -2.599 0.000 15.136) 15.358 17.534 ( -3.057 0.000 -15.017) 15.325 17.612 ( -6.495 0.000 -1.792) 6.738 18.191 ( -9.084 0.000 -16.609) 18.931 18.298 ( 6.277 0.000 22.636) 23.491 18.761 ( -1.407 0.000 9.632) 9.734 19.485 ( 0.709 0.000 6.155) 6.196 19.646 ( -5.464 0.000 7.994) 9.683 19.721 ( 5.040 0.000 -3.573) 6.178 20.080 ( -3.145 0.000 -15.756) 16.066 20.401 ( 12.020 0.000 -1.300) 12.090 20.409 ( 7.154 0.000 6.197) 9.465 21.309 ( -7.030 0.000 5.628) 9.006 21.546 ( -3.425 0.000 -20.834) 21.113 21.956 ( 0.594 0.000 12.557) 12.571 21.993 ( 0.681 0.000 -7.851) 7.880 23.210 ( -10.139 0.000 8.039) 12.939 23.702 ( -0.909 0.000 12.813) 12.845 23.943 ( 2.730 0.000 -23.398) 23.557 24.079 ( 1.266 0.000 9.329) 9.415 24.592 ( -3.229 0.000 -9.088) 9.645 24.930 ( -4.737 0.000 15.917) 16.607 25.060 ( -14.823 0.000 2.393) 15.015 25.331 ( -9.508 0.000 -11.368) 14.820 26.104 ( -8.127 0.000 0.785) 8.165 26.338 ( -9.378 0.000 -10.492) 14.072 27.489 ( -1.268 0.000 27.101) 27.130 27.914 ( 3.387 0.000 -9.486) 10.073 27.937 ( -1.548 0.000 3.489) 3.817 28.261 ( -12.094 0.000 -15.738) 19.848 29.024 ( 3.405 0.000 -0.957) 3.537 29.195 ( 9.330 0.000 2.274) 9.603 29.318 ( -1.111 0.000 -3.137) 3.328 29.641 ( 7.071 0.000 -4.574) 8.421 30.192 ( 0.067 0.000 6.138) 6.138 30.345 ( -1.288 0.000 -7.225) 7.339 31.247 ( 0.672 0.000 -16.473) 16.486 31.406 ( -7.034 0.000 14.465) 16.084 31.772 ( 3.742 0.000 14.650) 15.120 32.243 ( 7.437 0.000 -18.452) 19.895 32.392 ( -13.804 0.000 -18.267) 22.896 32.512 ( -12.992 0.000 27.098) 30.051 32.852 ( 6.980 0.000 1.037) 7.056 32.925 ( 7.157 0.000 -1.440) 7.301 33.278 ( -4.817 0.000 6.905) 8.419 33.407 ( 0.613 0.000 -1.888) 1.985 35.814 ( 34.894 0.000 -53.784) 64.112 35.883 ( 32.537 0.000 51.574) 60.980 ======================= Grid point 235 (116/136) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 17.447 0.000 5.565) 18.313 3.194 ( 14.710 0.000 -1.249) 14.763 3.416 ( 9.407 0.000 -1.363) 9.505 3.435 ( 15.779 0.000 0.273) 15.782 3.814 ( 8.650 0.000 0.715) 8.680 4.059 ( 2.199 0.000 -5.926) 6.321 4.437 ( 16.186 0.000 0.193) 16.187 4.614 ( 7.085 0.000 -1.804) 7.311 4.795 ( 2.540 0.000 3.727) 4.510 4.967 ( 10.205 0.000 -4.816) 11.285 5.373 ( -7.076 0.000 1.564) 7.247 5.425 ( -5.499 0.000 -0.411) 5.515 6.534 ( -6.286 0.000 8.555) 10.616 6.600 ( -5.008 0.000 0.130) 5.010 7.207 ( -3.547 0.000 14.676) 15.098 7.278 ( -7.332 0.000 -20.943) 22.189 7.945 ( -0.688 0.000 5.992) 6.031 7.997 ( -4.335 0.000 -13.612) 14.285 8.494 ( -3.359 0.000 6.157) 7.014 8.635 ( 0.633 0.000 0.224) 0.672 9.178 ( 8.562 0.000 19.166) 20.991 9.400 ( -3.700 0.000 6.681) 7.637 9.425 ( -5.125 0.000 4.472) 6.802 9.557 ( 10.186 0.000 -5.606) 11.626 9.786 ( 3.431 0.000 -2.279) 4.119 9.966 ( 10.556 0.000 -5.550) 11.926 10.500 ( -5.530 0.000 -7.128) 9.022 10.639 ( -0.029 0.000 5.851) 5.851 10.710 ( -3.347 0.000 -15.996) 16.342 11.303 ( -8.107 0.000 25.194) 26.467 11.558 ( 2.387 0.000 -1.957) 3.087 11.746 ( -6.884 0.000 1.758) 7.105 12.171 ( 8.602 0.000 5.363) 10.137 12.196 ( -0.196 0.000 -13.193) 13.195 12.681 ( -11.317 0.000 2.835) 11.666 12.962 ( -4.070 0.000 -3.054) 5.088 13.356 ( 6.551 0.000 -12.418) 14.040 13.379 ( 1.490 0.000 4.430) 4.674 13.511 ( 3.453 0.000 6.358) 7.235 13.700 ( -4.698 0.000 -7.274) 8.659 14.234 ( 3.591 0.000 16.194) 16.587 14.395 ( -3.525 0.000 -16.890) 17.254 15.443 ( -0.074 0.000 -15.468) 15.468 15.446 ( 0.037 0.000 7.088) 7.088 15.943 ( -6.275 0.000 4.374) 7.649 16.019 ( -5.761 0.000 -7.748) 9.655 16.414 ( 1.109 0.000 14.962) 15.003 16.870 ( -7.224 0.000 -9.305) 11.780 17.305 ( -1.094 0.000 21.752) 21.779 17.444 ( -4.804 0.000 -16.135) 16.835 17.484 ( -5.628 0.000 -6.667) 8.725 17.941 ( -12.540 0.000 -7.153) 14.436 18.465 ( 7.250 0.000 10.092) 12.426 18.720 ( -2.061 0.000 13.567) 13.722 19.523 ( 2.625 0.000 4.888) 5.548 19.568 ( -1.667 0.000 10.287) 10.422 19.814 ( 3.621 0.000 -4.002) 5.397 20.033 ( -1.271 0.000 -14.343) 14.399 20.603 ( 10.472 0.000 5.170) 11.679 20.641 ( 10.392 0.000 -9.643) 14.177 21.175 ( -5.888 0.000 8.188) 10.085 21.454 ( -4.938 0.000 -15.740) 16.496 21.972 ( 0.786 0.000 8.065) 8.103 21.986 ( -0.907 0.000 -7.861) 7.914 23.072 ( -2.773 0.000 7.610) 8.100 23.715 ( 1.741 0.000 14.306) 14.412 23.959 ( -1.341 0.000 -23.637) 23.675 24.026 ( -5.387 0.000 5.236) 7.512 24.577 ( 1.272 0.000 -6.884) 7.000 24.718 ( -9.146 0.000 20.880) 22.795 24.943 ( -2.805 0.000 -1.623) 3.241 25.151 ( -7.590 0.000 -9.769) 12.371 25.961 ( -5.575 0.000 4.887) 7.414 26.147 ( -8.267 0.000 -14.390) 16.596 27.491 ( 0.054 0.000 28.560) 28.560 27.950 ( 2.378 0.000 6.929) 7.326 27.962 ( -3.671 0.000 -10.270) 10.907 28.027 ( -4.510 0.000 -15.358) 16.007 29.079 ( 2.037 0.000 -0.720) 2.160 29.247 ( -1.184 0.000 -1.299) 1.757 29.420 ( 7.533 0.000 2.185) 7.843 29.784 ( 6.162 0.000 -8.504) 10.502 30.215 ( 1.935 0.000 4.292) 4.708 30.289 ( -3.499 0.000 -5.329) 6.375 31.250 ( -0.532 0.000 -18.749) 18.757 31.272 ( -5.885 0.000 14.764) 15.893 31.831 ( 1.032 0.000 18.886) 18.914 32.137 ( -10.305 0.000 -16.448) 19.410 32.252 ( -10.758 0.000 21.362) 23.918 32.297 ( -1.043 0.000 -18.189) 18.219 33.026 ( 7.024 0.000 -0.041) 7.024 33.140 ( 11.733 0.000 0.116) 11.734 33.235 ( 2.510 0.000 7.307) 7.726 33.388 ( -2.271 0.000 -0.956) 2.464 36.398 ( 22.707 0.000 -57.553) 61.870 36.443 ( 20.493 0.000 55.418) 59.086 ======================= Grid point 236 (117/136) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 13.415 0.000 2.541) 13.654 3.399 ( 5.164 0.000 3.513) 6.245 3.621 ( 9.622 0.000 -3.140) 10.121 3.699 ( 9.009 0.000 -1.441) 9.124 3.982 ( 7.605 0.000 -1.742) 7.802 4.095 ( 2.026 0.000 -4.195) 4.659 4.599 ( 1.459 0.000 -3.945) 4.206 4.658 ( -0.441 0.000 0.126) 0.458 4.980 ( 12.552 0.000 -4.199) 13.236 5.126 ( 1.323 0.000 6.820) 6.947 5.245 ( -5.066 0.000 0.139) 5.068 5.376 ( 1.434 0.000 3.537) 3.817 6.389 ( -6.324 0.000 10.852) 12.561 6.480 ( -6.066 0.000 -3.831) 7.174 7.140 ( -5.093 0.000 -24.419) 24.945 7.155 ( -2.859 0.000 19.914) 20.118 7.913 ( -2.678 0.000 -13.694) 13.954 7.920 ( -1.456 0.000 5.529) 5.717 8.463 ( 0.345 0.000 9.623) 9.629 8.615 ( -1.948 0.000 -5.398) 5.739 9.176 ( -5.266 0.000 8.961) 10.394 9.263 ( -8.755 0.000 -1.743) 8.926 9.484 ( 7.399 0.000 16.777) 18.336 9.662 ( 0.711 0.000 -22.080) 22.092 9.965 ( 11.200 0.000 16.782) 20.176 10.147 ( 6.566 0.000 -5.865) 8.804 10.464 ( 3.580 0.000 -9.655) 10.298 10.655 ( 1.173 0.000 6.272) 6.381 10.707 ( 1.729 0.000 -8.123) 8.305 11.118 ( -9.797 0.000 16.884) 19.521 11.614 ( 2.444 0.000 -1.218) 2.731 11.657 ( -2.112 0.000 0.984) 2.330 12.200 ( 0.900 0.000 -16.865) 16.889 12.341 ( 6.163 0.000 2.403) 6.615 12.484 ( -6.020 0.000 11.875) 13.314 12.854 ( -5.991 0.000 -2.645) 6.549 13.372 ( -1.814 0.000 6.241) 6.500 13.399 ( -2.651 0.000 -13.063) 13.329 13.583 ( 3.402 0.000 6.047) 6.939 13.695 ( 3.894 0.000 -5.082) 6.403 14.323 ( -1.672 0.000 -19.266) 19.338 14.345 ( 5.432 0.000 17.426) 18.253 15.427 ( -0.720 0.000 -16.650) 16.665 15.435 ( -0.907 0.000 10.252) 10.292 15.838 ( -4.120 0.000 2.956) 5.071 15.899 ( -5.615 0.000 -2.798) 6.274 16.444 ( 1.410 0.000 14.973) 15.039 16.693 ( -8.433 0.000 -12.091) 14.741 17.298 ( -0.469 0.000 32.758) 32.761 17.346 ( -3.946 0.000 -17.903) 18.332 17.384 ( -3.146 0.000 -15.344) 15.663 17.689 ( -11.170 0.000 -5.199) 12.321 18.592 ( 4.768 0.000 3.050) 5.660 18.695 ( -0.691 0.000 13.767) 13.784 19.582 ( 2.311 0.000 10.018) 10.282 19.588 ( 3.245 0.000 2.514) 4.105 19.867 ( 1.684 0.000 -3.789) 4.146 20.003 ( -1.734 0.000 -10.617) 10.758 20.812 ( 6.295 0.000 -18.121) 19.183 20.816 ( 9.349 0.000 4.924) 10.567 21.071 ( -4.122 0.000 11.481) 12.199 21.335 ( -6.249 0.000 -7.749) 9.955 21.971 ( -0.004 0.000 -6.617) 6.617 21.991 ( 0.788 0.000 5.316) 5.374 23.103 ( 5.439 0.000 6.495) 8.472 23.771 ( 3.067 0.000 15.335) 15.639 23.803 ( -11.358 0.000 -6.080) 12.883 23.964 ( -1.810 0.000 -14.058) 14.175 24.611 ( 1.842 0.000 -10.729) 10.886 24.618 ( -1.479 0.000 25.022) 25.066 24.880 ( -3.035 0.000 -3.194) 4.406 25.003 ( -6.597 0.000 -7.237) 9.793 25.879 ( -2.404 0.000 8.696) 9.022 25.997 ( -5.773 0.000 -14.982) 16.055 27.498 ( 0.285 0.000 24.983) 24.984 27.766 ( -9.104 0.000 -15.658) 18.112 28.020 ( 3.534 0.000 10.821) 11.384 28.065 ( 2.648 0.000 -12.075) 12.362 29.116 ( 1.692 0.000 1.019) 1.975 29.222 ( -1.207 0.000 -3.782) 3.970 29.555 ( 5.540 0.000 5.416) 7.747 29.857 ( 0.188 0.000 -11.529) 11.530 30.230 ( -1.054 0.000 -3.803) 3.947 30.262 ( 1.978 0.000 5.299) 5.657 31.177 ( -3.380 0.000 13.113) 13.542 31.213 ( -2.362 0.000 -17.255) 17.416 31.806 ( -3.424 0.000 21.665) 21.934 31.946 ( -7.895 0.000 -15.526) 17.418 32.121 ( -2.126 0.000 13.359) 13.527 32.244 ( -2.841 0.000 -14.397) 14.675 33.087 ( 1.217 0.000 1.488) 1.922 33.315 ( -3.902 0.000 0.855) 3.995 33.373 ( 9.276 0.000 0.562) 9.293 33.390 ( 8.870 0.000 1.453) 8.988 36.753 ( 13.034 0.000 -54.932) 56.457 36.779 ( 11.015 0.000 53.635) 54.755 ======================= Grid point 237 (118/136) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( 6.612 0.000 1.181) 6.717 3.443 ( -0.625 0.000 0.582) 0.854 3.771 ( 4.334 0.000 2.766) 5.142 3.802 ( 1.399 0.000 -4.708) 4.911 4.112 ( 4.301 0.000 -2.129) 4.799 4.140 ( 1.368 0.000 0.066) 1.370 4.606 ( 0.361 0.000 -3.342) 3.361 4.630 ( -1.809 0.000 2.068) 2.748 5.118 ( 0.197 0.000 4.633) 4.637 5.152 ( -2.037 0.000 -3.009) 3.633 5.225 ( 8.803 0.000 -9.692) 13.093 5.370 ( -3.979 0.000 11.255) 11.938 6.319 ( -0.389 0.000 10.461) 10.469 6.366 ( -4.279 0.000 -7.961) 9.038 7.070 ( -0.863 0.000 -24.822) 24.837 7.092 ( -3.012 0.000 23.209) 23.404 7.886 ( 0.024 0.000 -9.961) 9.961 7.896 ( -0.902 0.000 6.388) 6.452 8.504 ( 2.875 0.000 9.929) 10.337 8.566 ( -2.601 0.000 -8.614) 8.998 9.086 ( -2.455 0.000 7.919) 8.291 9.109 ( -4.771 0.000 -5.739) 7.463 9.606 ( 3.682 0.000 16.821) 17.219 9.653 ( -0.830 0.000 -18.477) 18.495 10.158 ( 6.309 0.000 12.293) 13.818 10.222 ( 0.460 0.000 -7.489) 7.503 10.595 ( 6.599 0.000 -9.932) 11.924 10.667 ( -0.855 0.000 7.766) 7.812 10.765 ( 4.679 0.000 -6.303) 7.850 10.918 ( -9.309 0.000 9.764) 13.491 11.642 ( 0.182 0.000 0.449) 0.484 11.644 ( 0.431 0.000 -0.340) 0.549 12.232 ( 2.695 0.000 -17.192) 17.402 12.307 ( -4.765 0.000 13.111) 13.950 12.556 ( 7.723 0.000 6.044) 9.807 12.715 ( -7.240 0.000 -3.546) 8.062 13.332 ( -1.542 0.000 8.970) 9.102 13.334 ( -1.836 0.000 -11.324) 11.472 13.662 ( 4.014 0.000 6.310) 7.479 13.731 ( -1.465 0.000 -6.019) 6.194 14.353 ( 4.278 0.000 -18.671) 19.155 14.413 ( -0.199 0.000 17.564) 17.565 15.415 ( 0.039 0.000 -16.274) 16.274 15.420 ( -0.705 0.000 14.139) 14.157 15.778 ( -1.319 0.000 0.500) 1.411 15.799 ( -3.363 0.000 0.058) 3.363 16.481 ( 1.953 0.000 14.214) 14.347 16.549 ( -4.790 0.000 -13.474) 14.300 17.282 ( -1.295 0.000 26.350) 26.382 17.285 ( -1.315 0.000 -19.491) 19.535 17.379 ( 2.920 0.000 -6.309) 6.952 17.489 ( -7.598 0.000 -2.756) 8.082 18.664 ( 2.218 0.000 -4.016) 4.588 18.688 ( -0.540 0.000 10.058) 10.072 19.639 ( 2.040 0.000 7.172) 7.456 19.643 ( 1.635 0.000 -1.330) 2.107 19.897 ( 1.805 0.000 -0.725) 1.945 19.950 ( -2.914 0.000 -5.631) 6.341 20.904 ( 3.351 0.000 -23.064) 23.306 20.946 ( 0.195 0.000 19.973) 19.974 21.051 ( 4.696 0.000 -0.017) 4.696 21.193 ( -7.234 0.000 -0.644) 7.263 21.984 ( 1.125 0.000 -5.242) 5.361 22.000 ( -0.236 0.000 4.685) 4.691 23.283 ( 11.089 0.000 5.137) 12.221 23.541 ( -13.070 0.000 -4.465) 13.812 23.843 ( 3.363 0.000 15.904) 16.256 23.912 ( -2.839 0.000 -16.000) 16.250 24.634 ( 1.317 0.000 29.867) 29.896 24.642 ( 1.221 0.000 -21.139) 21.174 24.832 ( -0.662 0.000 -6.949) 6.981 24.878 ( -4.865 0.000 -0.171) 4.868 25.862 ( 0.465 0.000 12.094) 12.103 25.902 ( -3.060 0.000 -14.243) 14.568 27.526 ( 2.213 0.000 21.374) 21.488 27.609 ( -5.516 0.000 -18.330) 19.142 28.082 ( 1.919 0.000 12.403) 12.550 28.098 ( 0.657 0.000 -12.388) 12.405 29.153 ( 1.851 0.000 3.259) 3.748 29.192 ( -1.636 0.000 -4.564) 4.848 29.669 ( 5.625 0.000 7.781) 9.601 29.790 ( -5.326 0.000 -10.200) 11.507 30.249 ( 2.080 0.000 -5.538) 5.916 30.280 ( -0.549 0.000 6.593) 6.616 31.141 ( -0.359 0.000 12.466) 12.471 31.162 ( -1.839 0.000 -14.280) 14.398 31.757 ( -0.550 0.000 18.686) 18.694 31.807 ( -4.774 0.000 -16.196) 16.885 32.131 ( 1.925 0.000 11.458) 11.618 32.184 ( -2.649 0.000 -11.901) 12.192 33.132 ( 3.308 0.000 0.453) 3.339 33.219 ( -4.758 0.000 0.385) 4.773 33.517 ( 3.880 0.000 1.722) 4.245 33.524 ( 3.302 0.000 -1.117) 3.486 36.927 ( 4.878 0.000 -52.342) 52.569 36.935 ( 2.934 0.000 51.921) 52.004 ======================= Grid point 243 (119/136) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -8.586 8.007 -8.452) 14.466 2.358 ( 8.586 8.007 8.452) 14.466 2.595 ( -4.372 14.959 -9.972) 18.502 2.595 ( 4.372 14.959 9.972) 18.502 3.585 ( 6.437 4.413 -8.259) 11.363 3.585 ( -6.437 4.413 8.259) 11.363 3.991 ( 2.104 2.560 -16.194) 16.529 3.991 ( -2.104 2.560 16.194) 16.529 4.840 ( 1.684 -5.249 -11.668) 12.905 4.840 ( -1.684 -5.249 11.668) 12.905 5.711 ( 0.277 -0.707 -4.408) 4.473 5.711 ( -0.277 -0.707 4.408) 4.473 6.481 ( -1.047 -6.053 -3.845) 7.248 6.481 ( 1.047 -6.053 3.845) 7.248 7.498 ( -2.558 -4.592 -11.579) 12.716 7.498 ( 2.558 -4.592 11.579) 12.716 7.928 ( 4.417 3.721 -11.892) 13.220 7.928 ( -4.417 3.721 11.892) 13.220 8.379 ( 2.844 -5.821 -6.924) 9.482 8.379 ( -2.844 -5.821 6.924) 9.482 9.030 ( 4.055 5.780 -13.116) 14.895 9.030 ( -4.055 5.780 13.116) 14.895 9.526 ( 2.026 -2.867 -4.217) 5.487 9.526 ( -2.026 -2.867 4.217) 5.487 9.818 ( 0.983 4.655 -7.172) 8.607 9.818 ( -0.983 4.655 7.172) 8.607 10.811 ( 4.632 9.145 -3.299) 10.769 10.811 ( -4.632 9.145 3.299) 10.769 11.388 ( -6.756 0.903 -26.039) 26.916 11.388 ( 6.756 0.903 26.039) 26.916 11.626 ( 5.106 0.827 -6.477) 8.289 11.626 ( -5.106 0.827 6.477) 8.289 12.394 ( 2.061 -3.909 -6.933) 8.221 12.394 ( -2.061 -3.909 6.933) 8.221 12.751 ( -0.732 -11.318 -13.995) 18.014 12.751 ( 0.732 -11.318 13.995) 18.014 13.233 ( 0.450 4.936 -6.294) 8.011 13.233 ( -0.450 4.936 6.294) 8.011 13.859 ( -4.336 6.949 -3.162) 8.780 13.859 ( 4.336 6.949 3.162) 8.780 14.428 ( 3.831 9.304 -12.409) 15.975 14.428 ( -3.831 9.304 12.409) 15.975 15.250 ( -1.611 -4.050 -7.334) 8.531 15.250 ( 1.611 -4.050 7.334) 8.531 16.166 ( -6.105 -12.837 -15.842) 21.284 16.166 ( 6.105 -12.837 15.842) 21.284 16.717 ( 1.905 -0.148 -9.932) 10.114 16.717 ( -1.905 -0.148 9.932) 10.114 17.295 ( 2.071 -15.781 -14.887) 21.794 17.295 ( -2.071 -15.781 14.887) 21.794 17.987 ( -7.218 6.080 -17.641) 20.007 17.987 ( 7.218 6.080 17.641) 20.007 18.732 ( -7.589 7.667 -9.371) 14.289 18.732 ( 7.589 7.667 9.371) 14.289 19.600 ( -3.240 2.702 -3.723) 5.627 19.600 ( 3.240 2.702 3.723) 5.627 19.869 ( -2.351 -3.079 -13.675) 14.213 19.869 ( 2.351 -3.079 13.675) 14.213 20.257 ( -3.727 -1.326 -4.796) 6.217 20.257 ( 3.727 -1.326 4.796) 6.217 21.542 ( 1.568 -2.823 -13.733) 14.108 21.542 ( -1.568 -2.823 13.733) 14.108 21.980 ( 1.482 3.086 -14.534) 14.932 21.980 ( -1.482 3.086 14.534) 14.932 23.722 ( 9.498 2.080 -10.479) 14.295 23.722 ( -9.498 2.080 10.479) 14.295 23.904 ( -0.419 4.923 -11.620) 12.626 23.904 ( 0.419 4.923 11.620) 12.626 24.854 ( -4.736 1.073 -6.115) 7.809 24.854 ( 4.736 1.073 6.115) 7.809 25.591 ( -1.049 -5.093 -19.720) 20.394 25.591 ( 1.049 -5.093 19.720) 20.394 26.352 ( -5.257 -10.204 -4.976) 12.511 26.352 ( 5.257 -10.204 4.976) 12.511 27.627 ( 5.273 -14.710 -8.687) 17.879 27.627 ( -5.273 -14.710 8.687) 17.879 28.340 ( -0.791 4.543 -8.647) 9.799 28.340 ( 0.791 4.543 8.647) 9.799 29.011 ( -1.985 10.023 -3.278) 10.730 29.011 ( 1.985 10.023 3.278) 10.730 29.539 ( -3.287 9.025 -4.339) 10.540 29.539 ( 3.287 9.025 4.339) 10.540 30.268 ( 1.289 0.270 -9.412) 9.503 30.268 ( -1.289 0.270 9.412) 9.503 31.372 ( -10.385 -5.892 -1.253) 12.005 31.372 ( 10.385 -5.892 1.253) 12.005 31.859 ( 3.917 5.503 -16.170) 17.524 31.859 ( -3.917 5.503 16.170) 17.524 32.611 ( -5.647 -4.197 -3.782) 7.988 32.611 ( 5.647 -4.197 3.782) 7.988 32.993 ( -14.496 -7.118 -6.711) 17.489 32.993 ( 14.496 -7.118 6.711) 17.489 33.431 ( 13.833 0.771 -11.164) 17.792 33.431 ( -13.833 0.771 11.164) 17.792 34.593 ( -0.745 6.927 -6.715) 9.676 34.593 ( 0.745 6.927 6.715) 9.676 ======================= Grid point 245 (120/136) ======================= q-point: ( 0.09 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 5.636 8.338 1.230) 10.139 2.648 ( 10.511 13.161 -19.919) 26.086 2.705 ( 18.326 4.778 4.460) 19.457 2.848 ( 18.814 11.071 19.362) 29.179 3.502 ( -0.425 3.182 5.471) 6.343 3.771 ( 9.340 0.753 -3.145) 9.884 4.011 ( 4.826 6.585 10.832) 13.565 4.092 ( 8.060 2.832 -16.298) 18.401 4.795 ( -2.503 -5.405 9.267) 11.016 4.859 ( 0.296 -3.866 -12.260) 12.859 5.649 ( -4.986 -0.671 2.677) 5.699 5.667 ( -4.303 -0.567 -3.727) 5.721 6.493 ( 1.519 -5.591 -0.213) 5.798 6.531 ( 2.745 -8.120 3.633) 9.309 7.370 ( -7.103 -4.657 -6.058) 10.433 7.549 ( -0.369 -4.101 6.360) 7.576 7.894 ( 3.682 6.416 6.802) 10.049 8.145 ( 10.961 1.364 -11.720) 16.104 8.356 ( 0.191 -4.864 6.952) 8.486 8.480 ( 6.354 -3.266 -0.664) 7.175 8.936 ( -3.421 6.528 16.413) 17.992 9.125 ( 4.929 1.965 -7.020) 8.800 9.493 ( -0.844 -6.275 2.957) 6.988 9.565 ( 1.249 -1.495 -4.211) 4.640 9.756 ( -2.956 5.415 2.760) 6.759 9.837 ( -0.128 6.088 -4.108) 7.345 10.695 ( -5.347 4.643 1.271) 7.194 10.873 ( 0.549 13.836 -5.173) 14.782 11.149 ( -13.803 -2.988 -20.889) 25.215 11.455 ( -2.666 1.430 25.641) 25.819 11.540 ( 1.415 0.450 2.745) 3.121 11.817 ( 8.424 0.698 -0.334) 8.459 12.158 ( -14.295 -7.634 5.021) 16.966 12.358 ( -5.932 0.060 0.362) 5.943 12.805 ( 3.787 -10.701 -9.206) 14.615 12.850 ( 5.576 -8.923 8.066) 13.258 13.149 ( -2.331 1.276 -0.309) 2.675 13.353 ( 5.467 5.917 -2.090) 8.323 13.683 ( -8.749 9.536 -5.594) 14.099 13.924 ( 0.174 6.424 -4.824) 8.036 14.348 ( -3.516 8.055 10.275) 13.521 14.515 ( 3.876 9.644 -10.689) 14.909 15.241 ( 1.342 -6.478 -3.494) 7.482 15.350 ( 6.194 -2.209 5.110) 8.328 15.977 ( -10.285 -15.371 -12.209) 22.161 16.198 ( -3.934 -11.330 6.957) 13.865 16.638 ( -1.378 8.639 8.984) 12.540 16.843 ( 4.680 -6.440 -6.364) 10.192 17.200 ( -3.850 -14.270 9.305) 17.465 17.383 ( 3.682 -15.301 -7.427) 17.403 17.811 ( -7.606 3.366 -13.719) 16.043 18.167 ( 7.538 6.920 17.526) 20.295 18.516 ( -11.286 7.340 -8.777) 16.071 18.859 ( 3.214 7.133 10.297) 12.932 19.513 ( -3.031 0.645 -3.068) 4.361 19.695 ( 2.291 3.154 2.158) 4.456 19.751 ( -3.143 0.683 -1.340) 3.484 19.950 ( 0.925 -9.505 2.313) 9.826 20.222 ( 1.167 -0.255 -2.166) 2.474 20.377 ( 8.139 3.940 3.839) 9.824 21.414 ( -7.094 -3.329 -0.820) 7.879 21.600 ( 0.965 -0.472 -11.832) 11.881 21.956 ( -1.016 1.103 13.854) 13.935 22.020 ( 2.197 4.111 -9.202) 10.315 23.485 ( -12.456 2.841 7.964) 15.054 23.824 ( -3.415 5.452 -4.525) 7.865 23.877 ( 4.229 2.504 -7.407) 8.890 23.978 ( 3.552 -0.671 11.010) 11.589 24.734 ( -5.634 2.825 -6.423) 8.999 24.933 ( 2.013 0.051 4.408) 4.846 25.388 ( -15.445 -4.753 -2.985) 16.433 25.508 ( -8.845 -3.165 2.448) 9.708 26.201 ( -7.935 -7.568 -0.124) 10.966 26.383 ( -3.191 -10.622 -2.739) 11.425 27.453 ( -5.387 -10.110 11.945) 16.550 27.789 ( 5.728 -12.424 -5.148) 14.618 28.218 ( -9.687 13.154 3.446) 16.696 28.287 ( -4.453 -1.387 -10.202) 11.218 28.937 ( 1.772 3.968 -2.636) 5.083 29.127 ( 3.429 6.089 -1.020) 7.063 29.450 ( -3.189 3.592 -2.160) 5.266 29.657 ( 5.473 14.159 -1.955) 15.305 30.202 ( -3.089 -0.922 3.774) 4.963 30.374 ( 5.659 3.700 -2.561) 7.230 31.221 ( -3.326 -4.851 -5.129) 7.804 31.543 ( 3.058 -0.864 0.698) 3.254 31.791 ( 0.469 7.812 15.057) 16.969 31.991 ( 6.705 -2.181 -12.384) 14.251 32.531 ( -3.698 -7.938 -2.818) 9.200 32.628 ( -12.045 -8.495 -7.035) 16.332 32.751 ( 5.438 2.007 3.806) 6.935 33.029 ( -12.510 1.428 8.859) 15.396 33.372 ( 8.261 4.323 4.446) 10.329 33.559 ( -1.323 9.309 -4.517) 10.431 34.881 ( 30.548 -8.544 -6.232) 32.327 35.076 ( 32.984 -3.438 7.385) 33.975 ======================= Grid point 246 (121/136) ======================= q-point: ( 0.18 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 14.284 6.329 6.712) 17.005 2.948 ( 17.029 10.165 -11.717) 23.035 3.073 ( 16.629 1.294 0.004) 16.679 3.251 ( 15.450 5.691 10.235) 19.386 3.588 ( 8.621 -0.853 1.654) 8.819 3.935 ( 6.928 -2.609 -1.071) 7.480 4.191 ( 11.406 7.229 6.401) 14.945 4.349 ( 15.993 3.255 -9.436) 18.853 4.753 ( -1.369 -3.893 7.502) 8.562 4.859 ( 0.703 -1.902 -12.193) 12.360 5.517 ( -7.391 -1.180 2.121) 7.779 5.555 ( -6.084 -0.519 -2.200) 6.490 6.505 ( -1.263 -7.031 4.378) 8.378 6.562 ( -0.378 -7.737 1.370) 7.867 7.231 ( -5.092 -4.359 -9.065) 11.275 7.494 ( -4.643 0.026 7.232) 8.594 7.988 ( 2.444 11.038 3.105) 11.724 8.293 ( 2.547 -16.560 -3.401) 17.097 8.358 ( 0.358 15.413 -7.243) 17.034 8.572 ( 0.692 -2.045 7.629) 7.928 9.001 ( 10.507 4.395 18.739) 21.928 9.251 ( 7.557 -3.289 -1.420) 8.363 9.480 ( -1.132 -5.673 3.142) 6.583 9.559 ( -2.029 -1.332 -4.587) 5.190 9.749 ( 3.529 3.214 0.685) 4.822 9.832 ( 0.100 7.368 -4.010) 8.389 10.600 ( -4.280 1.252 -0.188) 4.464 10.808 ( -8.136 2.584 -15.705) 17.875 10.893 ( -6.712 10.713 -8.341) 15.145 11.381 ( -4.853 -4.125 24.447) 25.263 11.546 ( -1.372 -0.083 4.555) 4.758 11.884 ( -11.052 -5.829 3.114) 12.877 11.981 ( 7.500 -0.001 0.472) 7.514 12.245 ( -3.818 0.702 -0.091) 3.884 12.813 ( -5.457 -8.505 -0.013) 10.106 12.904 ( 0.357 -7.400 -0.887) 7.462 13.150 ( 2.641 -3.482 -3.074) 5.343 13.439 ( 2.358 2.477 -2.997) 4.548 13.569 ( -1.236 12.083 -4.526) 12.962 13.893 ( -2.052 9.537 -4.279) 10.653 14.296 ( -1.324 7.692 8.613) 11.623 14.570 ( 1.378 10.443 -10.091) 14.587 15.279 ( 1.952 -8.003 -4.991) 9.631 15.474 ( 4.726 -0.762 4.283) 6.424 15.768 ( -8.795 -17.095 -7.158) 20.514 16.061 ( -7.783 -10.988 -0.417) 13.472 16.614 ( -2.110 10.374 12.221) 16.169 16.870 ( -2.172 -9.603 -7.345) 12.283 17.158 ( -0.445 -9.721 13.868) 16.942 17.445 ( 2.336 -10.091 -7.692) 12.902 17.668 ( -5.686 2.761 -16.924) 18.066 18.202 ( -9.432 0.022 20.320) 22.403 18.372 ( 2.788 10.568 -10.982) 15.495 18.872 ( -1.787 6.100 13.466) 14.891 19.477 ( -0.441 -2.452 -4.852) 5.454 19.628 ( -4.103 0.731 7.774) 8.821 19.803 ( 3.536 6.519 0.267) 7.421 19.941 ( -0.462 -10.139 -3.892) 10.870 20.310 ( 6.891 -1.773 0.692) 7.149 20.585 ( 10.871 6.868 3.341) 13.285 21.267 ( -6.546 -1.862 -5.723) 8.892 21.589 ( -1.417 2.659 -12.631) 12.985 21.937 ( -1.221 -0.879 9.760) 9.875 22.057 ( 1.320 4.657 -6.575) 8.164 23.238 ( -10.513 2.669 7.683) 13.292 23.753 ( -2.892 3.732 0.319) 4.732 23.922 ( 0.597 -1.300 -7.177) 7.318 24.027 ( -0.172 -4.853 9.455) 10.629 24.644 ( -2.509 4.919 -6.477) 8.511 24.921 ( -4.945 -0.715 8.371) 9.749 25.068 ( -10.911 0.995 -1.788) 11.101 25.305 ( -9.426 -2.393 -3.469) 10.325 26.041 ( -7.196 -5.618 3.805) 9.890 26.254 ( -7.715 -7.803 -12.993) 17.007 27.420 ( 0.663 -5.299 20.776) 21.452 27.838 ( -2.306 -14.473 -1.727) 14.757 28.053 ( -3.119 9.162 0.355) 9.685 28.203 ( -3.147 6.522 -14.099) 15.850 29.008 ( 3.134 0.459 -3.508) 4.726 29.196 ( 4.070 -1.395 1.863) 4.688 29.395 ( -2.017 3.572 -2.385) 4.745 29.763 ( 4.423 10.779 -4.012) 12.322 30.143 ( -2.007 -2.138 2.541) 3.880 30.473 ( 3.394 9.628 -2.302) 10.465 31.195 ( -0.346 -3.581 -3.958) 5.349 31.526 ( -2.628 7.319 0.673) 7.806 31.836 ( 2.091 6.569 16.378) 17.769 32.129 ( 5.505 -9.832 -15.452) 19.125 32.303 ( -12.050 -7.167 -16.969) 22.012 32.487 ( -10.026 -2.178 24.959) 26.986 32.884 ( 6.899 2.605 1.951) 7.628 32.930 ( 5.579 2.267 -2.990) 6.724 33.468 ( -0.637 15.275 6.091) 16.457 33.493 ( -0.999 7.916 -4.048) 8.947 35.583 ( 32.815 -19.286 -19.724) 42.869 35.763 ( 30.028 -12.740 18.037) 37.274 ======================= Grid point 247 (122/136) ======================= q-point: ( 0.27 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 16.267 3.586 4.955) 17.379 3.263 ( 11.386 5.608 1.627) 12.796 3.396 ( 14.845 -0.404 -2.920) 15.135 3.502 ( 10.744 5.225 -1.356) 12.024 3.786 ( 8.852 -2.036 0.156) 9.084 4.058 ( 4.663 0.142 -4.402) 6.414 4.447 ( 10.418 -0.495 -0.185) 10.431 4.615 ( 6.530 -0.460 0.018) 6.546 4.772 ( 4.434 -0.807 4.473) 6.350 4.942 ( 8.245 -2.304 -3.942) 9.425 5.362 ( -7.068 -1.213 1.034) 7.245 5.424 ( -5.982 -1.027 -1.021) 6.155 6.422 ( -6.511 -7.242 7.849) 12.508 6.516 ( -3.682 -5.894 -1.993) 7.229 7.175 ( -0.637 -3.016 -12.254) 12.636 7.373 ( -6.734 2.746 9.377) 11.867 7.960 ( -3.847 12.513 -0.277) 13.094 8.228 ( -5.687 -4.615 -5.266) 9.021 8.412 ( 2.813 11.442 -4.816) 12.729 8.583 ( 1.250 -4.745 9.744) 10.910 9.226 ( 5.214 3.217 12.890) 14.272 9.390 ( 4.848 -1.296 4.568) 6.786 9.478 ( -5.253 1.507 -4.607) 7.148 9.533 ( 9.572 -2.785 5.630) 11.449 9.828 ( -0.341 6.387 -4.408) 7.768 9.892 ( 8.481 -5.828 -4.187) 11.110 10.481 ( -5.647 -0.963 -7.371) 9.335 10.694 ( -0.409 1.487 -9.099) 9.229 10.814 ( -2.481 13.709 1.277) 13.990 11.254 ( -7.548 -4.893 21.936) 23.708 11.529 ( 0.246 -2.579 -0.307) 2.609 11.707 ( -6.203 -4.052 3.695) 8.280 12.099 ( 2.438 -4.519 -7.425) 9.028 12.240 ( 4.332 2.398 2.683) 5.631 12.617 ( -11.037 -6.453 2.959) 13.123 12.883 ( -2.520 -6.722 -0.792) 7.222 13.220 ( 2.924 -6.149 -3.467) 7.641 13.431 ( -2.827 -3.747 -4.151) 6.266 13.600 ( 3.294 12.098 -3.426) 12.998 13.875 ( 0.759 14.958 -1.486) 15.051 14.308 ( 2.118 6.853 5.301) 8.919 14.571 ( -0.648 13.381 -7.078) 15.152 15.311 ( 1.271 -7.235 -7.272) 10.336 15.511 ( -1.861 -0.374 2.897) 3.464 15.645 ( -2.210 -18.047 -4.242) 18.671 15.904 ( -7.112 -10.858 0.345) 12.984 16.552 ( -3.802 4.769 12.418) 13.835 16.761 ( -7.507 -9.977 -8.139) 14.904 17.173 ( 1.114 -4.054 18.245) 18.723 17.459 ( -1.368 -2.577 -5.499) 6.225 17.574 ( -2.692 5.304 -23.482) 24.224 17.962 ( -11.718 2.196 8.214) 14.478 18.466 ( 4.716 3.667 -0.386) 5.986 18.816 ( -3.342 4.653 15.565) 16.585 19.484 ( 1.016 -5.460 -6.350) 8.436 19.573 ( -1.112 1.826 10.922) 11.129 19.868 ( 2.682 6.288 1.354) 6.969 19.947 ( 0.967 -7.101 -6.560) 9.716 20.480 ( 8.545 -4.850 -1.209) 9.900 20.788 ( 7.322 2.164 7.020) 10.372 21.159 ( -2.916 4.018 -11.655) 12.669 21.546 ( -2.405 6.367 -7.138) 9.862 21.912 ( -0.979 -2.450 1.601) 3.086 22.068 ( -0.068 5.005 -2.882) 5.776 23.088 ( -3.545 1.344 7.167) 8.107 23.708 ( -1.580 -1.080 -0.061) 1.915 23.914 ( -1.053 -5.295 -2.724) 6.047 23.960 ( -6.023 -4.872 5.883) 9.727 24.613 ( -1.220 4.524 -7.399) 8.758 24.773 ( -4.960 3.974 14.339) 15.684 24.962 ( -3.194 1.679 -2.343) 4.302 25.136 ( -6.530 -1.211 -6.149) 9.051 25.913 ( -5.073 -4.351 7.017) 9.690 26.090 ( -7.291 -5.388 -16.030) 18.416 27.445 ( 0.656 -3.609 23.521) 23.806 27.727 ( -6.192 -14.941 -3.792) 16.612 28.074 ( 2.903 7.290 -1.381) 7.967 28.158 ( -0.784 10.533 -11.204) 15.398 29.050 ( 1.522 -0.440 -2.787) 3.206 29.276 ( 2.206 -4.606 2.773) 5.811 29.381 ( 1.320 1.404 -3.302) 3.823 29.817 ( 0.456 1.078 -3.313) 3.514 30.142 ( 1.957 0.864 0.644) 2.234 30.504 ( -0.346 12.877 -2.673) 13.156 31.183 ( -0.623 -0.948 2.003) 2.302 31.464 ( -3.380 10.319 -5.268) 12.069 31.862 ( -0.617 3.397 18.579) 18.897 32.081 ( -8.657 -4.361 -13.826) 16.885 32.176 ( -1.253 -9.688 -15.078) 17.966 32.249 ( -10.063 -0.524 18.949) 21.462 33.022 ( 5.332 0.368 1.595) 5.578 33.124 ( 8.771 -0.545 -2.358) 9.099 33.446 ( 2.267 15.995 -3.400) 16.509 33.523 ( 2.788 13.544 6.997) 15.497 36.163 ( 23.182 -20.453 -22.828) 38.430 36.290 ( 20.122 -15.529 20.824) 32.858 ======================= Grid point 248 (123/136) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 12.969 1.865 2.155) 13.278 3.417 ( 4.289 1.470 2.987) 5.430 3.670 ( 10.596 2.670 -2.567) 11.225 3.708 ( 8.354 2.977 -1.213) 8.951 3.953 ( 7.466 -2.122 -1.991) 8.013 4.129 ( 2.397 3.203 -3.118) 5.072 4.557 ( 1.642 -3.636 -1.555) 4.282 4.656 ( -0.757 -0.797 -0.806) 1.363 4.946 ( 10.277 -3.091 -3.635) 11.330 5.079 ( 2.451 -4.707 7.491) 9.180 5.235 ( -5.049 -0.886 0.205) 5.130 5.345 ( -1.297 -3.091 1.791) 3.800 6.284 ( -5.630 -6.067 8.232) 11.674 6.416 ( -5.614 -4.150 -5.137) 8.667 7.153 ( -1.809 -2.629 -18.548) 18.821 7.241 ( -5.753 2.866 16.199) 17.428 7.903 ( -0.389 11.677 0.419) 11.691 8.115 ( -4.603 2.386 -5.789) 7.771 8.457 ( 1.895 8.914 1.084) 9.178 8.604 ( -0.208 -2.258 3.073) 3.819 9.196 ( -3.916 2.479 4.801) 6.673 9.344 ( -6.869 4.923 -5.200) 9.922 9.544 ( 7.005 4.830 16.342) 18.425 9.703 ( 2.014 3.528 -15.360) 15.888 9.870 ( 7.461 -6.490 10.192) 14.201 10.057 ( 6.353 -8.417 -5.746) 12.010 10.460 ( 4.170 0.462 -5.580) 6.981 10.731 ( 3.103 3.470 -3.777) 5.995 10.781 ( -1.031 9.388 4.082) 10.289 11.091 ( -8.327 -2.027 12.478) 15.138 11.548 ( 1.174 -5.040 -1.771) 5.469 11.621 ( -2.364 -4.150 4.393) 6.490 12.116 ( 0.781 -6.706 -11.482) 13.320 12.355 ( 0.942 -0.529 1.338) 1.719 12.429 ( -2.422 -4.862 9.054) 10.558 12.804 ( -4.918 -4.726 -0.842) 6.872 13.240 ( -0.594 -6.705 -5.352) 8.599 13.353 ( -3.947 -4.530 -0.573) 6.035 13.690 ( 5.266 10.945 -0.071) 12.146 13.910 ( 1.743 15.490 -2.169) 15.738 14.362 ( 2.872 5.973 -5.437) 8.572 14.561 ( -0.166 13.919 3.190) 14.281 15.338 ( 1.777 -4.858 -9.278) 10.623 15.452 ( -2.569 -4.597 5.508) 7.621 15.627 ( -0.608 -12.766 -5.912) 14.082 15.767 ( -6.075 -10.559 4.325) 12.927 16.476 ( -3.413 -1.341 12.108) 12.652 16.587 ( -8.126 -8.952 -9.358) 15.289 17.202 ( 1.271 -0.468 20.589) 20.634 17.394 ( -3.993 0.933 -8.967) 9.860 17.542 ( -0.289 9.347 -24.208) 25.952 17.747 ( -8.811 5.666 9.009) 13.817 18.558 ( 4.159 -0.748 -1.327) 4.429 18.754 ( -2.890 2.142 14.112) 14.563 19.514 ( 1.972 -6.790 -5.980) 9.260 19.577 ( 0.674 -0.775 9.432) 9.488 19.916 ( 1.888 5.436 2.475) 6.264 19.965 ( 0.629 -3.270 -6.353) 7.172 20.638 ( 6.354 -7.160 -5.225) 10.906 20.853 ( -0.877 -7.772 10.195) 12.850 21.169 ( 3.833 13.756 -14.164) 20.113 21.481 ( -3.978 10.364 0.468) 11.111 21.914 ( 1.447 -2.631 -4.370) 5.303 22.057 ( -0.958 4.037 1.210) 4.322 23.100 ( 4.344 -0.477 5.918) 7.357 23.657 ( -5.077 -7.166 -3.596) 9.490 23.823 ( -4.822 -3.120 7.973) 9.826 23.885 ( -1.853 -6.049 -2.385) 6.761 24.589 ( -0.053 3.139 -5.178) 6.055 24.738 ( -0.534 5.793 15.367) 16.431 24.890 ( -3.075 1.339 -3.792) 5.062 25.025 ( -4.435 1.803 -6.963) 8.450 25.839 ( -2.130 -3.611 10.619) 11.416 25.955 ( -5.216 -3.923 -16.432) 17.681 27.452 ( -0.133 -3.759 22.572) 22.883 27.609 ( -4.888 -11.288 -11.019) 16.515 28.133 ( 2.450 7.406 2.933) 8.334 28.163 ( 1.174 9.322 -8.942) 12.971 29.088 ( 2.311 -0.913 -2.029) 3.208 29.277 ( -1.627 1.856 0.173) 2.475 29.444 ( 4.296 -7.459 -0.666) 8.633 29.783 ( -3.433 -6.268 -1.238) 7.253 30.210 ( 4.059 3.466 -1.866) 5.654 30.464 ( -3.180 11.002 -1.124) 11.507 31.185 ( 0.943 3.932 5.500) 6.827 31.381 ( -4.209 10.654 -8.626) 14.340 31.800 ( -4.862 -0.473 18.688) 19.316 31.914 ( -7.836 -2.538 -12.852) 15.265 32.087 ( -1.906 -3.379 6.983) 7.988 32.175 ( -1.477 -4.280 -6.344) 7.794 33.082 ( 1.056 -0.551 1.499) 1.914 33.199 ( -0.673 -5.577 -1.094) 5.722 33.581 ( 8.633 18.201 -6.037) 21.030 33.628 ( 6.282 17.258 8.107) 20.076 36.542 ( 13.908 -18.940 -21.430) 31.803 36.616 ( 11.022 -16.045 20.189) 28.044 ======================= Grid point 249 (124/136) ======================= q-point: ( 0.45 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 6.638 1.374 0.846) 6.831 3.457 ( -0.575 1.272 0.487) 1.478 3.818 ( 3.648 3.508 -0.495) 5.085 3.826 ( 2.749 3.088 -0.824) 4.216 4.090 ( 5.175 -1.603 -1.272) 5.565 4.151 ( -0.654 1.286 -0.416) 1.502 4.576 ( 1.039 -2.809 -1.046) 3.172 4.615 ( -2.531 -1.775 -0.020) 3.091 5.099 ( 1.329 -2.505 4.734) 5.518 5.148 ( 2.716 -5.736 -5.866) 8.643 5.152 ( 2.923 -1.200 -4.193) 5.250 5.298 ( -4.810 -6.178 8.412) 11.492 6.229 ( 0.477 -5.030 7.536) 9.073 6.297 ( -5.172 -4.071 -6.871) 9.514 7.115 ( -0.393 -1.113 -18.789) 18.826 7.146 ( -3.577 0.787 17.659) 18.035 7.946 ( 3.742 10.959 4.215) 12.323 8.030 ( -3.854 8.010 -6.254) 10.869 8.504 ( 2.726 4.275 3.544) 6.186 8.568 ( -2.928 0.152 -2.064) 3.586 9.151 ( 0.237 6.057 4.179) 7.363 9.211 ( -5.127 7.239 -4.156) 9.796 9.651 ( 3.045 4.229 15.823) 16.659 9.692 ( -1.021 4.285 -16.754) 17.323 10.042 ( 6.677 -9.446 10.507) 15.627 10.121 ( -0.354 -9.075 -7.484) 11.768 10.606 ( 8.272 0.263 -6.373) 10.446 10.738 ( -3.718 3.232 4.528) 6.691 10.810 ( 4.187 5.915 0.304) 7.254 10.926 ( -7.189 2.397 3.953) 8.547 11.570 ( 1.149 -5.650 -2.739) 6.384 11.593 ( -0.987 -5.066 3.893) 6.465 12.150 ( 3.055 -7.236 -12.069) 14.399 12.241 ( -5.810 -6.671 9.869) 13.253 12.543 ( 6.944 -1.556 3.519) 7.939 12.684 ( -6.413 -3.244 -1.925) 7.440 13.233 ( 0.803 -4.989 -6.128) 7.943 13.277 ( -3.230 -3.941 3.793) 6.352 13.806 ( 5.496 11.768 3.628) 13.486 13.902 ( -2.912 13.236 -4.043) 14.142 14.444 ( 5.229 7.014 -12.040) 14.882 14.538 ( -3.025 9.211 10.810) 14.521 15.380 ( 2.243 -2.583 -12.051) 12.527 15.416 ( -1.448 -3.224 11.150) 11.697 15.617 ( 0.394 -10.992 -8.383) 13.829 15.660 ( -3.988 -10.365 7.655) 13.488 16.428 ( -1.083 -5.633 11.077) 12.474 16.455 ( -3.793 -7.864 -10.239) 13.456 17.241 ( 2.206 1.077 19.811) 19.962 17.308 ( -3.752 1.466 -15.444) 15.961 17.548 ( 1.596 11.113 -21.188) 23.979 17.608 ( -4.767 9.614 15.272) 18.665 18.637 ( 3.448 -1.865 -4.665) 6.094 18.700 ( -2.763 -0.513 9.541) 9.947 19.557 ( 2.049 -7.080 -6.365) 9.739 19.584 ( -0.503 -4.998 7.634) 9.138 19.948 ( 1.179 4.312 3.515) 5.686 19.966 ( -0.399 1.095 -4.899) 5.036 20.740 ( 3.840 -8.557 -7.921) 12.276 20.807 ( -2.985 -9.327 8.638) 13.059 21.269 ( 5.424 14.634 -9.376) 18.206 21.382 ( -5.371 13.051 5.312) 15.080 21.966 ( 3.226 -0.704 -4.567) 5.636 22.026 ( -2.256 1.900 3.301) 4.427 23.252 ( 9.541 -2.861 4.499) 10.930 23.473 ( -10.889 -5.912 -4.042) 13.033 23.800 ( 1.156 -4.929 7.680) 9.198 23.840 ( -2.248 -6.620 -5.208) 8.718 24.622 ( 3.137 2.315 -5.613) 6.835 24.698 ( -3.676 2.742 11.246) 12.145 24.873 ( 1.769 4.185 -1.632) 4.828 24.937 ( -3.849 4.198 -4.140) 7.041 25.827 ( 0.602 -3.218 13.832) 14.215 25.867 ( -2.901 -3.232 -15.753) 16.340 27.466 ( 1.290 -4.958 20.622) 21.249 27.519 ( -3.368 -7.138 -17.124) 18.856 28.173 ( 1.216 7.404 7.851) 10.860 28.183 ( 0.499 7.578 -9.289) 11.998 29.147 ( 3.403 0.007 -0.877) 3.514 29.221 ( -3.417 1.798 -0.207) 3.866 29.553 ( 6.020 -8.886 0.485) 10.744 29.682 ( -5.925 -8.308 -0.650) 10.225 30.297 ( 4.281 4.391 -2.780) 6.733 30.385 ( -4.158 6.824 1.576) 8.145 31.226 ( 2.703 8.166 6.867) 11.006 31.295 ( -3.738 10.156 -8.299) 13.638 31.730 ( -1.180 -2.330 16.853) 17.054 31.773 ( -4.714 -3.064 -14.557) 15.606 32.097 ( 1.734 -2.538 6.889) 7.544 32.139 ( -1.887 -2.997 -6.692) 7.571 33.105 ( 1.657 -2.381 0.817) 3.014 33.154 ( -2.768 -4.693 -0.584) 5.480 33.721 ( 4.029 18.268 -4.451) 19.229 33.733 ( 2.699 17.961 5.104) 18.866 36.739 ( 5.487 -17.362 -19.854) 26.939 36.763 ( 2.711 -16.416 19.453) 25.598 ======================= Grid point 255 (125/136) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -6.425 10.896 -13.669) 18.624 2.567 ( 6.425 10.896 13.669) 18.624 2.960 ( -3.090 18.207 -14.515) 23.489 2.960 ( 3.090 18.207 14.515) 23.489 3.606 ( -3.744 -2.395 -1.738) 4.772 3.606 ( 3.744 -2.395 1.738) 4.772 4.102 ( 1.673 5.581 -3.887) 7.004 4.102 ( -1.673 5.581 3.887) 7.004 4.774 ( 0.870 1.436 -16.406) 16.491 4.774 ( -0.870 1.436 16.406) 16.491 5.613 ( 0.107 -9.357 -7.201) 11.808 5.613 ( -0.107 -9.357 7.201) 11.808 6.385 ( 0.697 -1.848 -1.782) 2.660 6.385 ( -0.697 -1.848 1.782) 2.660 7.422 ( -2.119 -5.859 -7.011) 9.379 7.422 ( 2.119 -5.859 7.011) 9.379 7.859 ( 3.936 -5.873 -4.453) 8.355 7.859 ( -3.936 -5.873 4.453) 8.355 8.361 ( 1.621 3.992 -12.547) 13.266 8.361 ( -1.621 3.992 12.547) 13.266 9.091 ( 0.326 -2.670 -9.796) 10.159 9.091 ( -0.326 -2.670 9.796) 10.159 9.457 ( 1.108 -1.067 -5.000) 5.232 9.457 ( -1.108 -1.067 5.000) 5.232 10.043 ( -2.716 15.669 -2.755) 16.139 10.043 ( 2.716 15.669 2.755) 16.139 10.936 ( -1.512 2.048 -16.512) 16.707 10.936 ( 1.512 2.048 16.512) 16.707 11.406 ( -8.681 -0.259 -17.788) 19.795 11.406 ( 8.681 -0.259 17.788) 19.795 11.727 ( -2.785 8.210 -9.312) 12.723 11.727 ( 2.785 8.210 9.312) 12.723 12.264 ( 10.008 -8.393 -5.999) 14.373 12.264 ( -10.008 -8.393 5.999) 14.373 12.488 ( -3.660 -11.343 -7.977) 14.342 12.488 ( 3.660 -11.343 7.977) 14.342 13.387 ( -0.468 10.056 -6.865) 12.185 13.387 ( 0.468 10.056 6.865) 12.185 14.008 ( -1.279 6.015 -2.347) 6.582 14.008 ( 1.279 6.015 2.347) 6.582 14.629 ( 5.250 7.090 -9.873) 13.240 14.629 ( -5.250 7.090 9.873) 13.240 15.141 ( -3.476 -4.941 -4.813) 7.724 15.141 ( 3.476 -4.941 4.813) 7.724 15.892 ( -2.594 -12.470 -9.417) 15.840 15.892 ( 2.594 -12.470 9.417) 15.840 16.672 ( -2.355 -5.275 -10.023) 11.568 16.672 ( 2.355 -5.275 10.023) 11.568 17.024 ( 0.648 -5.944 -17.510) 18.503 17.024 ( -0.648 -5.944 17.510) 18.503 18.059 ( -9.165 -0.970 -17.767) 20.015 18.059 ( 9.165 -0.970 17.767) 20.015 18.874 ( -6.065 5.322 -6.427) 10.316 18.874 ( 6.065 5.322 6.427) 10.316 19.558 ( -2.771 -4.826 -8.479) 10.142 19.558 ( 2.771 -4.826 8.479) 10.142 19.883 ( 0.163 4.071 -7.624) 8.644 19.883 ( -0.163 4.071 7.624) 8.644 20.299 ( -4.304 4.489 -6.681) 9.127 20.299 ( 4.304 4.489 6.681) 9.127 21.465 ( -1.626 -4.151 -12.615) 13.379 21.465 ( 1.626 -4.151 12.615) 13.379 22.012 ( 2.330 -0.323 -13.296) 13.502 22.012 ( -2.330 -0.323 13.296) 13.502 23.756 ( 6.526 0.982 -5.566) 8.634 23.756 ( -6.526 0.982 5.566) 8.634 24.036 ( -1.402 6.850 -15.677) 17.165 24.036 ( 1.402 6.850 15.677) 17.165 24.904 ( 0.505 4.124 -3.219) 5.256 24.904 ( -0.505 4.124 3.219) 5.256 25.461 ( -2.398 -7.224 -22.158) 23.429 25.461 ( 2.398 -7.224 22.158) 23.429 26.119 ( 2.888 -10.787 -6.904) 13.129 26.119 ( -2.888 -10.787 6.904) 13.129 27.314 ( 4.019 -12.562 -6.216) 14.581 27.314 ( -4.019 -12.562 6.216) 14.581 28.475 ( 1.374 5.901 -7.334) 9.513 28.475 ( -1.374 5.901 7.334) 9.513 29.201 ( 2.544 7.558 -3.372) 8.658 29.201 ( -2.544 7.558 3.372) 8.658 29.792 ( -3.157 15.037 -6.397) 16.644 29.792 ( 3.157 15.037 6.397) 16.644 30.281 ( -4.373 1.228 -6.764) 8.148 30.281 ( 4.373 1.228 6.764) 8.148 31.163 ( -9.653 -14.035 1.542) 17.104 31.163 ( 9.653 -14.035 -1.542) 17.104 31.989 ( -2.334 6.011 -13.684) 15.127 31.989 ( 2.334 6.011 13.684) 15.127 32.486 ( 1.336 -6.884 -1.949) 7.278 32.486 ( -1.336 -6.884 1.949) 7.278 32.888 ( -4.263 -2.583 -8.219) 9.613 32.888 ( 4.263 -2.583 8.219) 9.613 33.444 ( 9.813 0.540 -11.542) 15.159 33.444 ( -9.813 0.540 11.542) 15.159 34.727 ( 0.856 5.168 -7.774) 9.374 34.727 ( -0.856 5.168 7.774) 9.374 ======================= Grid point 257 (126/136) ======================= q-point: ( 0.09 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 4.939 12.273 -5.351) 14.271 2.816 ( 13.511 5.100 7.356) 16.207 2.998 ( 8.170 18.513 -17.224) 26.573 3.124 ( 11.368 14.431 16.326) 24.577 3.527 ( -1.475 -0.203 0.125) 1.494 3.731 ( 6.347 -3.878 1.284) 7.548 4.122 ( 4.168 1.028 1.544) 4.562 4.220 ( 8.090 5.926 -1.742) 10.178 4.741 ( -0.732 3.529 5.583) 6.645 4.813 ( 1.564 1.162 -7.793) 8.033 5.556 ( -4.686 -9.349 -1.028) 10.508 5.582 ( -3.380 -7.830 0.882) 8.574 6.387 ( 0.710 -2.568 1.342) 2.983 6.420 ( 2.260 -1.669 -0.226) 2.818 7.327 ( -7.025 -2.092 -7.276) 10.328 7.450 ( 0.573 -6.975 7.955) 10.595 7.843 ( 3.901 -10.251 2.071) 11.162 7.990 ( 6.110 -5.151 1.823) 8.197 8.434 ( 8.647 4.156 4.498) 10.596 8.474 ( 7.750 4.990 -7.459) 11.857 9.074 ( -1.229 1.628 8.493) 8.735 9.101 ( 1.086 -3.395 -7.086) 7.932 9.424 ( -1.436 -0.474 3.632) 3.934 9.477 ( 0.597 -3.380 -5.139) 6.180 9.934 ( -5.697 12.802 -0.994) 14.047 10.093 ( 0.837 16.615 1.308) 16.688 10.762 ( -7.862 0.733 -3.314) 8.564 11.048 ( -2.295 5.508 -8.246) 10.179 11.178 ( -6.058 -1.939 -3.812) 7.416 11.519 ( 0.714 -1.328 19.132) 19.191 11.544 ( -9.960 7.476 1.279) 12.519 11.887 ( 6.944 5.773 3.379) 9.642 12.005 ( -11.861 -5.459 4.561) 13.831 12.335 ( -4.804 -2.343 -1.046) 5.446 12.503 ( 5.227 -16.342 -6.036) 18.189 12.605 ( 5.893 -12.497 5.207) 14.765 13.260 ( -5.258 8.081 -1.467) 9.752 13.497 ( 2.896 8.994 -4.621) 10.518 13.872 ( -5.447 7.336 -3.492) 9.782 14.096 ( 2.874 8.143 -4.474) 9.725 14.523 ( -4.338 6.504 8.243) 11.361 14.736 ( 4.382 9.469 -9.009) 13.785 15.098 ( -0.550 -5.831 -2.172) 6.247 15.235 ( 4.781 -7.634 3.718) 9.744 15.726 ( -8.930 -8.687 0.338) 12.463 15.951 ( -1.128 -12.370 -1.462) 12.507 16.628 ( -0.962 -8.640 -7.032) 11.182 16.688 ( -2.087 -8.052 9.463) 12.599 17.046 ( 3.665 0.835 6.683) 7.667 17.077 ( 3.695 -9.033 -6.014) 11.464 17.854 ( -8.370 0.351 -14.877) 17.074 18.258 ( 7.349 -1.112 17.114) 18.658 18.685 ( -10.216 7.865 -6.924) 14.634 18.951 ( 0.557 1.361 7.237) 7.385 19.491 ( -3.279 -1.150 -8.517) 9.199 19.602 ( 1.024 -8.001 11.330) 13.908 19.832 ( -1.803 6.396 -1.678) 6.854 19.921 ( 1.588 3.370 -0.000) 3.726 20.254 ( 0.438 3.486 -3.574) 5.012 20.454 ( 8.817 2.431 4.843) 10.349 21.355 ( -4.384 -1.379 -6.856) 8.254 21.563 ( 3.708 -3.022 -2.318) 5.316 21.967 ( -1.945 -0.072 11.519) 11.683 22.072 ( 3.167 0.023 -10.011) 10.500 23.562 ( -11.091 4.237 6.555) 13.562 23.847 ( 1.093 -2.529 -11.358) 11.688 23.973 ( -3.634 3.940 -3.510) 6.407 24.024 ( -3.157 5.783 16.652) 17.908 24.824 ( -3.541 5.653 0.586) 6.696 24.953 ( 1.041 2.799 -3.977) 4.973 25.294 ( -10.725 -4.302 -10.511) 15.621 25.410 ( -7.447 -6.416 13.722) 16.880 26.023 ( -5.821 -8.454 5.313) 11.558 26.127 ( -1.870 -12.154 -11.028) 16.518 27.264 ( 0.659 -7.130 8.415) 11.049 27.436 ( 5.009 -15.877 -5.031) 17.392 28.361 ( -6.339 7.048 0.822) 9.515 28.509 ( -1.239 8.026 -7.178) 10.839 29.089 ( -5.111 10.479 1.224) 11.723 29.228 ( -0.785 3.937 -1.478) 4.278 29.538 ( -8.085 6.431 1.206) 10.401 29.989 ( 2.479 15.668 -3.261) 16.194 30.167 ( -2.329 -1.575 1.034) 2.995 30.484 ( 11.356 6.892 1.578) 13.377 31.055 ( -0.944 -10.945 -0.091) 10.986 31.411 ( 12.408 -12.745 -3.304) 18.092 31.906 ( -2.669 3.217 -9.632) 10.500 32.039 ( 0.035 5.870 10.164) 11.738 32.348 ( -8.517 -7.752 -9.247) 14.770 32.484 ( -1.312 -5.077 8.117) 9.664 32.820 ( 6.158 4.409 4.494) 8.806 33.051 ( -5.451 0.259 2.689) 6.084 33.483 ( 17.278 5.603 2.697) 18.363 33.696 ( 8.945 3.236 -8.536) 12.780 34.740 ( 8.534 -3.895 2.443) 9.693 34.956 ( 16.750 -7.181 0.795) 18.242 ======================= Grid point 258 (127/136) ======================= q-point: ( 0.18 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 11.396 10.707 1.682) 15.727 3.088 ( 12.634 0.198 0.860) 12.665 3.236 ( 12.897 15.949 -10.630) 23.102 3.398 ( 12.364 7.899 9.291) 17.366 3.575 ( 6.774 0.185 -0.392) 6.788 3.879 ( 8.205 -2.734 -0.168) 8.650 4.248 ( 7.057 -2.456 0.987) 7.537 4.402 ( 8.703 -1.319 2.838) 9.249 4.760 ( 2.226 6.779 7.246) 10.169 4.836 ( 1.223 0.599 -10.111) 10.203 5.433 ( -6.529 -7.770 -2.251) 10.395 5.484 ( -5.793 -6.127 2.176) 8.708 6.396 ( -0.451 -1.786 2.050) 2.756 6.456 ( 0.640 -1.533 0.219) 1.675 7.166 ( -7.067 -2.740 -11.092) 13.434 7.432 ( -2.852 -6.996 8.649) 11.484 7.944 ( 3.930 -11.919 2.311) 12.762 8.144 ( 9.281 -0.386 7.273) 11.798 8.589 ( 3.005 4.716 -6.407) 8.504 8.637 ( 5.790 9.416 -3.786) 11.684 9.110 ( 7.514 3.793 9.428) 12.638 9.155 ( 4.689 -2.990 -5.615) 7.903 9.411 ( 0.130 -1.359 3.181) 3.462 9.483 ( 0.158 -4.556 -5.537) 7.172 9.832 ( -3.643 7.817 -0.237) 8.628 10.092 ( -0.669 15.801 3.466) 16.190 10.614 ( -6.433 0.061 -8.867) 10.954 10.855 ( -8.428 5.922 -9.380) 13.931 11.184 ( -0.389 -6.122 9.589) 11.383 11.300 ( -11.397 11.617 7.651) 17.982 11.508 ( -1.729 -3.550 5.791) 7.009 11.768 ( -10.248 -2.555 7.162) 12.761 12.012 ( 3.456 1.636 1.637) 4.159 12.243 ( -2.312 -0.706 2.097) 3.200 12.543 ( -2.712 -15.659 0.049) 15.892 12.681 ( 1.264 -13.365 2.563) 13.667 13.179 ( -1.910 5.603 -5.518) 8.092 13.491 ( -2.819 3.838 -8.284) 9.555 13.829 ( 1.063 11.972 -4.581) 12.862 14.148 ( 2.528 11.618 -3.118) 12.292 14.455 ( -2.201 6.329 4.211) 7.914 14.805 ( 2.460 10.426 -7.434) 13.039 15.111 ( 1.725 -7.116 -0.026) 7.322 15.315 ( 2.362 -11.484 -2.630) 12.016 15.537 ( -8.826 -6.630 5.132) 12.174 15.875 ( -4.914 -7.074 -2.828) 9.066 16.574 ( -5.153 -13.974 1.275) 14.948 16.622 ( -3.817 -8.756 3.543) 10.188 17.155 ( 5.407 6.065 14.154) 16.321 17.179 ( 6.483 -11.089 -14.512) 19.380 17.721 ( -3.949 3.161 -13.755) 14.656 18.287 ( -6.903 4.268 24.436) 25.748 18.539 ( -1.213 4.500 -15.481) 16.167 18.915 ( -3.733 -2.130 9.454) 10.385 19.427 ( -2.486 -0.360 -9.691) 10.011 19.599 ( -1.484 -6.365 14.553) 15.953 19.826 ( 1.220 4.825 -5.044) 7.086 19.962 ( 2.376 4.670 3.494) 6.298 20.300 ( 3.801 0.901 -1.810) 4.305 20.621 ( 6.130 -3.507 3.349) 7.816 21.307 ( 0.440 5.949 -9.330) 11.074 21.618 ( 1.857 -0.139 -5.031) 5.365 21.933 ( -1.562 0.837 8.354) 8.540 22.132 ( 2.585 1.273 -8.012) 8.515 23.321 ( -11.337 5.434 6.462) 14.135 23.785 ( -5.545 -1.572 -18.966) 19.822 23.892 ( -5.993 -5.216 9.716) 12.551 23.941 ( -3.536 1.222 15.064) 15.522 24.777 ( -0.969 6.954 0.902) 7.079 24.933 ( -3.351 2.805 -4.795) 6.488 25.094 ( -6.682 1.052 -2.555) 7.231 25.232 ( -8.243 -4.802 7.385) 12.065 25.901 ( -5.592 -6.795 4.817) 10.033 26.051 ( -4.652 -10.400 -14.701) 18.599 27.315 ( 3.053 -4.266 12.274) 13.348 27.482 ( -0.735 -15.045 -4.742) 15.792 28.249 ( -3.219 8.945 0.397) 9.515 28.450 ( -3.095 10.537 -9.503) 14.523 29.043 ( 0.204 4.031 -2.882) 4.960 29.189 ( -2.435 0.940 1.407) 2.965 29.443 ( -2.151 2.560 -0.772) 3.432 29.916 ( -6.184 -0.058 1.455) 6.353 30.202 ( 3.463 10.091 -0.152) 10.670 30.688 ( 6.665 10.077 -2.319) 12.303 31.087 ( 3.356 -6.573 3.401) 8.126 31.600 ( 4.517 -2.844 -5.994) 8.026 31.900 ( 2.298 -6.684 -11.687) 13.658 32.009 ( -3.134 3.521 9.491) 10.597 32.174 ( -6.709 -1.653 -7.938) 10.524 32.439 ( -6.415 -2.328 22.812) 23.811 32.959 ( 3.915 4.600 -0.088) 6.041 33.010 ( 5.992 4.303 -3.131) 8.014 33.703 ( 3.271 12.375 -3.586) 13.292 33.839 ( 6.196 19.117 1.110) 20.127 35.105 ( 24.246 -24.676 -8.981) 35.741 35.389 ( 22.693 -21.845 9.048) 32.773 ======================= Grid point 259 (128/136) ======================= q-point: ( 0.27 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.983 ( 13.116 7.467 2.397) 15.282 3.310 ( 8.269 -1.560 0.124) 8.416 3.489 ( 10.932 8.992 3.116) 14.494 3.636 ( 11.867 7.504 -5.888) 15.226 3.755 ( 8.381 -0.784 -0.312) 8.424 4.072 ( 9.575 0.914 -2.285) 9.886 4.384 ( 5.600 -4.683 1.812) 7.521 4.562 ( 5.833 -4.628 3.658) 8.296 4.795 ( 0.934 1.841 1.560) 2.587 4.885 ( 3.007 -2.876 -0.890) 4.255 5.304 ( -5.531 -4.782 -1.421) 7.448 5.359 ( -5.682 -4.461 0.903) 7.280 6.349 ( -4.238 0.932 6.905) 8.155 6.438 ( -2.168 -0.724 -4.935) 5.439 7.050 ( -3.965 -7.711 -14.773) 17.130 7.334 ( -6.457 -7.773 10.016) 14.228 7.998 ( 1.672 -3.990 4.996) 6.609 8.343 ( 8.649 4.517 2.530) 10.080 8.523 ( -6.495 9.550 0.989) 11.592 8.726 ( 3.195 10.172 -9.989) 14.610 9.270 ( 4.553 -0.299 -2.163) 5.050 9.362 ( 11.451 -0.679 1.856) 11.620 9.443 ( 4.281 -3.527 3.200) 6.403 9.493 ( 2.480 0.830 1.399) 2.965 9.797 ( 0.387 0.601 -1.890) 2.021 10.066 ( -2.241 14.724 1.378) 14.957 10.499 ( -3.320 2.596 -10.399) 11.221 10.775 ( 0.486 5.334 -1.879) 5.676 11.034 ( -9.957 -6.003 20.740) 23.776 11.195 ( -2.240 9.951 -4.380) 11.100 11.476 ( -1.197 -2.464 0.061) 2.740 11.585 ( -7.168 -5.614 11.048) 14.316 12.013 ( -2.329 -3.818 -2.269) 5.015 12.277 ( 4.445 0.988 4.001) 6.061 12.388 ( -10.221 -14.928 1.367) 18.144 12.692 ( -0.396 -11.423 3.848) 12.060 13.171 ( 0.406 2.328 -7.358) 7.728 13.407 ( -4.316 1.995 -7.649) 9.006 13.876 ( 2.949 13.271 -2.562) 13.834 14.194 ( 1.574 11.714 -3.409) 12.301 14.439 ( 0.617 5.487 -2.140) 5.922 14.833 ( -0.015 9.051 -2.916) 9.509 15.163 ( 3.039 -5.910 0.037) 6.646 15.314 ( -2.609 -11.599 -0.940) 11.926 15.406 ( -2.452 -6.885 -1.358) 7.433 15.772 ( -4.943 -3.104 2.234) 6.250 16.450 ( -6.152 -11.477 6.659) 14.625 16.512 ( -6.548 -11.547 -1.646) 13.376 17.255 ( 3.796 6.401 14.579) 16.369 17.306 ( 4.909 -7.847 -17.192) 19.525 17.682 ( 0.264 6.512 -13.160) 14.686 18.088 ( -10.164 8.351 20.417) 24.288 18.550 ( 0.834 1.661 -11.924) 12.068 18.821 ( -5.070 -4.176 10.955) 12.773 19.387 ( -1.153 -2.397 -10.600) 10.928 19.557 ( -2.680 -5.252 14.100) 15.283 19.871 ( 2.998 2.461 -5.297) 6.566 20.012 ( 2.086 5.549 5.824) 8.310 20.400 ( 5.468 -2.490 0.283) 6.015 20.694 ( 1.037 -7.729 -0.441) 7.811 21.366 ( 4.729 12.015 -7.168) 14.768 21.653 ( 1.927 3.155 -3.835) 5.327 21.906 ( -1.047 2.598 0.820) 2.918 22.165 ( 0.499 3.160 -5.096) 6.017 23.132 ( -6.112 3.525 5.428) 8.902 23.649 ( -7.021 -5.173 -10.200) 13.420 23.753 ( -6.167 -7.906 4.283) 10.904 23.866 ( -4.446 -4.461 13.170) 14.599 24.761 ( -1.541 8.486 -3.134) 9.177 24.854 ( -2.166 3.960 7.324) 8.603 24.998 ( -3.988 1.234 -2.427) 4.829 25.110 ( -3.359 -1.245 1.179) 3.772 25.802 ( -3.914 -5.416 6.103) 9.050 25.944 ( -4.976 -7.869 -15.670) 18.227 27.368 ( 1.192 -3.625 14.777) 15.262 27.431 ( -2.791 -11.573 -7.046) 13.834 28.242 ( 1.876 8.105 1.455) 8.446 28.398 ( -1.618 10.002 -9.921) 14.180 29.064 ( 1.304 1.276 -5.403) 5.703 29.156 ( 0.019 -3.609 2.518) 4.401 29.416 ( -0.984 1.398 -1.576) 2.325 29.786 ( -6.273 -3.805 4.200) 8.454 30.270 ( 2.904 9.908 -0.634) 10.344 30.731 ( -2.156 6.749 -4.587) 8.440 31.186 ( 5.590 1.735 6.847) 9.008 31.615 ( -1.749 3.372 -8.080) 8.928 31.901 ( -6.419 -3.534 -0.658) 7.357 31.944 ( 0.032 -10.051 -9.292) 13.688 32.086 ( -2.569 6.668 3.856) 8.120 32.250 ( -9.376 0.939 17.698) 20.050 33.040 ( 3.003 1.202 0.221) 3.242 33.117 ( 1.718 -0.419 -3.578) 3.991 33.812 ( 9.225 20.523 -8.851) 24.180 33.956 ( 6.081 25.961 9.948) 28.459 35.616 ( 23.054 -30.745 -14.753) 41.163 35.831 ( 18.501 -27.423 13.058) 35.564 ======================= Grid point 260 (129/136) ======================= q-point: ( 0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 11.171 4.325 0.726) 12.001 3.439 ( 4.344 0.171 0.711) 4.405 3.699 ( 9.344 2.190 1.071) 9.657 3.859 ( 8.515 9.491 -1.337) 12.821 3.913 ( 7.178 -1.671 -1.707) 7.565 4.227 ( 4.345 5.796 -1.564) 7.411 4.467 ( 1.883 -4.356 1.208) 4.897 4.610 ( -1.138 -3.497 -0.465) 3.706 4.854 ( 5.133 -5.879 -3.254) 8.456 4.922 ( 0.997 -10.240 6.890) 12.382 5.207 ( -3.840 -1.824 0.797) 4.326 5.264 ( -3.625 -3.741 -0.307) 5.218 6.250 ( -4.362 3.378 8.670) 10.277 6.368 ( -4.389 -0.059 -8.563) 9.622 6.980 ( -2.430 -11.317 -15.221) 19.123 7.184 ( -7.764 -9.049 11.655) 16.673 8.044 ( 3.168 2.458 3.554) 5.358 8.374 ( -5.623 17.857 -2.346) 18.868 8.515 ( 6.178 0.064 7.450) 9.679 8.750 ( -0.701 9.770 -11.061) 14.775 9.304 ( 0.241 7.087 0.693) 7.125 9.414 ( -1.843 3.197 -5.104) 6.299 9.606 ( 9.246 -6.392 5.309) 12.431 9.675 ( 9.549 4.187 10.648) 14.903 9.829 ( 1.956 -5.443 -7.046) 9.116 10.000 ( -3.458 12.151 -4.391) 13.375 10.503 ( 3.576 3.468 -3.997) 6.387 10.830 ( 2.425 5.921 2.448) 6.850 10.876 ( -4.201 -5.503 12.670) 14.438 11.134 ( -3.592 7.706 -3.548) 9.213 11.451 ( -1.442 -3.026 0.573) 3.401 11.490 ( -2.051 -7.429 7.694) 10.890 11.963 ( -1.764 -7.492 -4.751) 9.045 12.182 ( -8.911 -14.105 3.363) 17.020 12.382 ( 5.075 -1.135 3.154) 6.082 12.657 ( -3.005 -9.230 2.691) 10.073 13.177 ( 0.540 1.604 -6.411) 6.631 13.327 ( -3.290 2.505 -4.098) 5.822 13.949 ( 4.228 11.932 1.668) 12.768 14.202 ( -0.833 8.197 -5.117) 9.699 14.475 ( 2.860 4.829 -8.349) 10.060 14.784 ( -4.643 4.308 3.661) 7.316 15.225 ( 2.495 -4.606 2.797) 5.938 15.283 ( 0.484 -5.172 -4.595) 6.935 15.400 ( 1.384 -7.354 -3.619) 8.312 15.670 ( -4.851 -1.435 5.344) 7.358 16.334 ( -4.949 -9.737 7.629) 13.323 16.373 ( -6.114 -10.500 -3.689) 12.698 17.316 ( 1.707 7.902 17.353) 19.144 17.360 ( 0.890 -2.500 -20.017) 20.192 17.709 ( 2.172 7.529 -17.301) 18.993 17.914 ( -6.767 8.912 21.701) 24.416 18.562 ( 0.889 0.078 -10.150) 10.189 18.722 ( -4.466 -4.978 10.581) 12.518 19.374 ( 0.184 -5.659 -10.946) 12.324 19.498 ( -3.203 -7.336 12.387) 14.748 19.939 ( 3.500 2.143 -4.716) 6.251 20.045 ( 0.844 5.528 6.150) 8.312 20.509 ( 4.579 -4.951 3.378) 7.542 20.683 ( -1.528 -7.401 -5.071) 9.101 21.471 ( 5.113 13.333 -2.032) 14.423 21.692 ( 1.081 8.504 -1.013) 8.632 21.902 ( 1.322 2.753 -7.636) 8.224 22.146 ( -2.241 3.901 -0.302) 4.509 23.087 ( 1.563 -0.184 4.027) 4.324 23.490 ( -7.904 -9.051 -3.875) 12.626 23.659 ( -2.924 -8.937 0.881) 9.445 23.765 ( -5.174 -6.879 8.549) 12.132 24.722 ( -1.062 8.463 -5.480) 10.138 24.831 ( -1.996 3.402 15.179) 15.683 24.939 ( -0.609 2.760 -3.039) 4.150 25.063 ( -1.951 1.356 -3.401) 4.148 25.746 ( -1.556 -4.657 8.713) 10.001 25.847 ( -3.848 -5.884 -14.918) 16.491 27.361 ( -1.177 -5.301 11.763) 12.955 27.400 ( -0.627 -6.962 -7.048) 9.927 28.295 ( 2.665 7.710 2.907) 8.660 28.375 ( -0.490 9.233 -8.259) 12.398 29.092 ( 1.954 1.029 -3.800) 4.395 29.202 ( 3.679 -6.089 0.557) 7.136 29.384 ( -1.964 0.394 -1.823) 2.708 29.656 ( -6.408 -5.423 5.202) 9.876 30.326 ( 2.660 6.914 -0.641) 7.436 30.632 ( -6.326 4.072 -3.165) 8.162 31.303 ( 5.340 6.430 6.549) 10.619 31.556 ( -3.207 5.002 -8.088) 10.036 31.767 ( -5.913 -3.001 0.780) 6.676 31.850 ( -8.211 -5.356 -0.874) 9.843 32.049 ( -0.022 3.400 0.058) 3.401 32.149 ( -1.664 1.773 7.147) 7.550 33.058 ( -0.852 -1.804 0.884) 2.182 33.096 ( -2.370 -4.307 -2.357) 5.452 34.040 ( 10.968 25.333 -10.642) 29.586 34.107 ( 7.374 28.389 11.779) 31.608 36.017 ( 15.394 -30.408 -14.152) 36.904 36.142 ( 10.899 -28.542 13.032) 33.215 ======================= Grid point 261 (130/136) ======================= q-point: ( 0.45 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( 6.007 2.447 0.004) 6.486 3.487 ( -0.040 1.346 0.179) 1.358 3.871 ( 6.789 2.781 -1.641) 7.518 3.952 ( -0.149 6.961 1.326) 7.088 4.070 ( 8.084 0.389 0.318) 8.100 4.219 ( -4.994 5.657 -0.483) 7.562 4.492 ( 1.900 -5.043 1.449) 5.581 4.554 ( -3.445 -3.444 -2.137) 5.320 4.951 ( 3.282 -11.148 4.185) 12.351 4.973 ( 2.700 -10.758 -4.038) 11.804 5.148 ( -1.051 -0.210 1.419) 1.778 5.189 ( -3.654 -2.983 0.609) 4.756 6.206 ( 0.349 3.266 8.364) 8.986 6.265 ( -4.583 1.455 -8.682) 9.925 6.961 ( 1.426 -11.445 -13.780) 17.969 7.038 ( -5.976 -10.378 12.537) 17.337 8.136 ( 5.425 5.446 1.033) 7.756 8.256 ( -5.814 9.535 0.566) 11.182 8.630 ( 4.542 8.188 4.216) 10.269 8.707 ( -2.868 10.088 -6.714) 12.453 9.319 ( 1.391 9.353 0.254) 9.459 9.362 ( -2.594 8.164 -1.540) 8.704 9.762 ( 4.868 0.334 10.892) 11.935 9.814 ( 1.624 3.895 -7.265) 8.402 9.857 ( 2.996 -4.173 3.083) 5.992 9.937 ( -2.916 0.779 -5.706) 6.454 10.615 ( 6.509 1.066 -4.988) 8.270 10.745 ( -5.809 -1.792 9.177) 11.008 10.947 ( 5.029 4.949 2.407) 7.455 11.048 ( -4.497 6.809 -3.456) 8.862 11.441 ( 0.721 -5.755 1.748) 6.058 11.466 ( -1.172 -6.004 1.476) 6.293 11.956 ( 1.549 -10.709 -5.497) 12.137 12.030 ( -5.623 -12.883 4.663) 14.810 12.484 ( 4.706 -3.990 1.796) 6.426 12.579 ( -4.292 -6.718 0.339) 7.980 13.203 ( 2.145 2.744 -3.107) 4.667 13.260 ( -3.140 3.067 -0.539) 4.422 14.052 ( 5.293 9.099 5.575) 11.911 14.152 ( -3.800 7.164 -6.802) 10.584 14.553 ( 4.851 3.011 -10.223) 11.710 14.667 ( -6.045 1.564 8.454) 10.509 15.265 ( 1.306 -4.733 10.574) 11.659 15.287 ( -0.447 -5.160 -13.841) 14.778 15.470 ( 4.873 -2.303 -1.196) 5.521 15.572 ( -4.774 -0.693 4.506) 6.601 16.262 ( -1.698 -8.615 4.676) 9.948 16.276 ( -2.855 -8.509 -3.220) 9.536 17.340 ( 0.515 7.147 20.576) 21.788 17.355 ( -0.468 3.345 -21.426) 21.690 17.753 ( 2.562 7.880 -22.598) 24.069 17.812 ( -3.815 8.631 23.715) 25.523 18.590 ( 2.065 -2.449 -8.629) 9.204 18.644 ( -3.249 -4.427 9.045) 10.581 19.390 ( 1.627 -8.400 -10.925) 13.876 19.435 ( -2.857 -9.075 11.191) 14.688 20.006 ( 2.787 3.173 -4.672) 6.298 20.046 ( -1.018 4.608 5.415) 7.183 20.587 ( 2.924 -6.052 6.612) 9.428 20.641 ( -2.245 -6.521 -7.599) 10.262 21.575 ( 4.868 13.856 2.395) 14.881 21.666 ( -3.372 13.574 -3.223) 14.353 21.972 ( 5.076 1.430 -6.597) 8.446 22.076 ( -4.433 2.711 3.558) 6.297 23.177 ( 6.280 -3.791 2.333) 7.697 23.326 ( -7.669 -7.633 -2.025) 11.008 23.630 ( 0.234 -9.839 0.512) 9.855 23.671 ( -3.578 -9.199 2.639) 10.217 24.727 ( 1.522 6.905 -6.398) 9.536 24.775 ( -3.009 4.662 9.931) 11.376 24.963 ( 2.195 3.470 1.997) 4.566 25.015 ( -2.500 2.689 -4.138) 5.532 25.741 ( 0.770 -4.518 11.447) 12.331 25.779 ( -2.458 -4.833 -13.449) 14.501 27.356 ( 0.502 -5.013 9.723) 10.950 27.378 ( -1.197 -5.395 -8.326) 9.993 28.342 ( 1.618 7.998 4.406) 9.274 28.365 ( -0.574 8.526 -6.092) 10.495 29.154 ( 3.973 0.357 -2.311) 4.610 29.234 ( -2.439 -1.356 1.178) 3.029 29.392 ( 4.485 -4.749 -3.227) 7.285 29.520 ( -6.740 -6.289 4.490) 10.254 30.392 ( 3.960 4.240 -0.073) 5.802 30.497 ( -6.081 3.298 -1.293) 7.038 31.408 ( 4.573 7.515 5.799) 10.536 31.490 ( -3.120 6.844 -6.614) 10.016 31.675 ( -2.371 -2.809 5.344) 6.486 31.698 ( -4.795 -3.567 -4.408) 7.426 32.076 ( 2.091 1.778 -1.414) 3.088 32.119 ( -1.790 1.780 2.957) 3.888 33.038 ( -0.498 -4.015 0.894) 4.144 33.050 ( -1.623 -5.040 -1.285) 5.449 34.209 ( 4.777 27.609 -10.846) 30.045 34.225 ( 2.822 28.681 11.252) 30.938 36.243 ( 6.578 -29.294 -12.700) 32.599 36.284 ( 2.358 -28.717 12.351) 31.349 ======================= Grid point 267 (131/136) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -2.250 4.900 -6.761) 8.648 2.745 ( 2.250 4.900 6.761) 8.648 3.295 ( -0.917 12.913 -10.510) 16.675 3.295 ( 0.917 12.913 10.510) 16.675 3.520 ( -1.171 -5.746 -3.103) 6.634 3.520 ( 1.171 -5.746 3.103) 6.634 4.132 ( -0.088 -1.293 -3.852) 4.064 4.132 ( 0.088 -1.293 3.852) 4.064 4.941 ( -0.426 12.123 -13.820) 18.389 4.941 ( 0.426 12.123 13.820) 18.389 5.353 ( -0.700 -13.563 -8.491) 16.016 5.353 ( 0.700 -13.563 8.491) 16.016 6.402 ( 0.631 2.026 -0.904) 2.306 6.402 ( -0.631 2.026 0.904) 2.306 7.239 ( -0.139 -7.790 -1.653) 7.965 7.239 ( 0.139 -7.790 1.653) 7.965 7.821 ( 1.535 0.654 -1.413) 2.187 7.821 ( -1.535 0.654 1.413) 2.187 8.449 ( 0.435 2.804 -5.332) 6.040 8.449 ( -0.435 2.804 5.332) 6.040 9.008 ( -1.171 -2.778 -3.600) 4.696 9.008 ( 1.171 -2.778 3.600) 4.696 9.444 ( 0.315 -0.668 -3.323) 3.404 9.444 ( -0.315 -0.668 3.323) 3.404 10.406 ( -4.114 16.344 -6.561) 18.086 10.406 ( 4.114 16.344 6.561) 18.086 10.857 ( -4.546 -8.990 -14.438) 17.605 10.857 ( 4.546 -8.990 14.438) 17.605 11.434 ( -4.272 3.129 -11.109) 12.307 11.434 ( 4.272 3.129 11.109) 12.307 11.790 ( -2.865 -3.456 -4.138) 6.105 11.790 ( 2.865 -3.456 4.138) 6.105 12.181 ( 6.239 3.328 -12.180) 14.084 12.181 ( -6.239 3.328 12.180) 14.084 12.309 ( -0.344 -6.907 -9.651) 11.873 12.309 ( 0.344 -6.907 9.651) 11.873 13.627 ( -2.959 10.553 -4.078) 11.694 13.627 ( 2.959 10.553 4.078) 11.694 14.062 ( -4.472 -1.084 -1.938) 4.993 14.062 ( 4.472 -1.084 1.938) 4.993 14.634 ( 3.542 -3.820 -3.711) 6.397 14.634 ( -3.542 -3.820 3.711) 6.397 15.120 ( -0.612 1.582 -3.192) 3.615 15.120 ( 0.612 1.582 3.192) 3.615 15.700 ( 1.718 -4.901 -4.827) 7.090 15.700 ( -1.718 -4.901 4.827) 7.090 16.528 ( -0.673 -5.352 -4.299) 6.898 16.528 ( 0.673 -5.352 4.299) 6.898 17.061 ( -2.253 4.873 -9.721) 11.105 17.061 ( 2.253 4.873 9.721) 11.105 17.957 ( -5.090 -5.813 -9.081) 11.924 17.957 ( 5.090 -5.813 9.081) 11.924 18.952 ( -1.934 2.130 -0.666) 2.953 18.952 ( 1.934 2.130 0.666) 2.953 19.490 ( -0.154 -1.492 -2.263) 2.715 19.490 ( 0.154 -1.492 2.263) 2.715 19.969 ( 0.156 2.998 -3.090) 4.308 19.969 ( -0.156 2.998 3.090) 4.308 20.379 ( -2.431 2.185 -4.397) 5.479 20.379 ( 2.431 2.185 4.397) 5.479 21.396 ( -1.671 -1.926 -6.109) 6.620 21.396 ( 1.671 -1.926 6.109) 6.620 21.986 ( 1.174 -1.270 -5.941) 6.188 21.986 ( -1.174 -1.270 5.941) 6.188 23.767 ( 1.877 0.198 -2.148) 2.859 23.767 ( -1.877 0.198 2.148) 2.859 24.145 ( -1.002 2.920 -7.305) 7.931 24.145 ( 1.002 2.920 7.305) 7.931 25.029 ( -0.324 7.122 -2.173) 7.453 25.029 ( 0.324 7.122 2.173) 7.453 25.291 ( -1.775 -8.297 -12.104) 14.782 25.291 ( 1.775 -8.297 12.104) 14.782 25.958 ( 0.703 -3.968 -4.180) 5.806 25.958 ( -0.703 -3.968 4.180) 5.806 27.142 ( 1.216 -4.041 -2.656) 4.986 27.142 ( -1.216 -4.041 2.656) 4.986 28.553 ( 0.614 1.708 -2.752) 3.297 28.553 ( -0.614 1.708 2.752) 3.297 29.304 ( 0.573 2.366 -1.024) 2.641 29.304 ( -0.573 2.366 1.024) 2.641 30.092 ( -2.660 9.507 -4.693) 10.931 30.092 ( 2.660 9.507 4.693) 10.931 30.355 ( -8.862 7.360 -2.748) 11.843 30.355 ( 8.862 7.360 2.748) 11.843 30.830 ( -2.726 -15.563 0.252) 15.802 30.830 ( 2.726 -15.563 -0.252) 15.802 32.084 ( -2.604 2.733 -6.754) 7.737 32.084 ( 2.604 2.733 6.754) 7.737 32.370 ( -1.587 -3.435 -3.384) 5.077 32.370 ( 1.587 -3.435 3.384) 5.077 32.864 ( 1.017 -0.289 -3.683) 3.832 32.864 ( -1.017 -0.289 3.683) 3.832 33.453 ( 3.157 0.226 -4.812) 5.760 33.453 ( -3.157 0.226 4.812) 5.760 34.797 ( 0.486 1.649 -3.232) 3.661 34.797 ( -0.486 1.649 3.232) 3.661 ======================= Grid point 269 (132/136) ======================= q-point: ( 0.09 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 5.152 8.410 -5.030) 11.071 2.866 ( 7.884 -1.020 1.224) 8.043 3.332 ( 5.939 12.138 -6.048) 14.805 3.406 ( 7.910 10.208 4.622) 13.716 3.518 ( 2.197 -0.338 1.101) 2.481 3.631 ( 7.386 -5.966 1.308) 9.584 4.108 ( 0.842 0.309 2.353) 2.518 4.192 ( 3.196 -5.930 2.182) 7.081 4.928 ( -0.723 9.499 -9.998) 13.810 4.955 ( 0.210 11.233 8.928) 14.351 5.308 ( -2.587 -11.174 -3.779) 12.076 5.361 ( -0.768 -12.051 5.564) 13.295 6.408 ( 1.085 2.946 -0.421) 3.167 6.431 ( 1.923 1.150 -1.442) 2.665 7.218 ( -2.291 -5.077 -1.165) 5.690 7.258 ( 0.282 -8.762 1.050) 8.829 7.782 ( 0.681 3.784 2.024) 4.345 7.887 ( 4.125 -5.095 0.633) 6.586 8.535 ( 8.049 4.136 0.083) 9.050 8.561 ( 8.792 1.940 -1.136) 9.075 9.010 ( 1.792 -0.809 -6.388) 6.684 9.055 ( 3.378 -3.837 0.125) 5.113 9.421 ( -1.840 0.051 4.712) 5.059 9.435 ( -1.007 -1.411 -0.310) 1.761 10.280 ( -7.076 18.339 -7.338) 20.982 10.447 ( -0.281 12.183 1.781) 12.316 10.709 ( -7.119 -3.035 -7.499) 10.776 10.930 ( -0.336 -15.707 10.219) 18.741 11.243 ( -10.056 9.678 -2.812) 14.237 11.436 ( -4.558 -7.007 3.548) 9.081 11.688 ( -5.139 6.205 7.663) 11.119 11.864 ( 0.005 -8.577 7.492) 11.389 12.093 ( -1.406 10.812 8.149) 13.612 12.250 ( -1.473 -3.358 -8.271) 9.048 12.298 ( 2.582 -3.646 -3.417) 5.625 12.369 ( 2.227 -9.389 2.070) 9.869 13.462 ( -7.523 10.949 -4.615) 14.063 13.628 ( -5.382 -1.296 -6.036) 8.190 14.031 ( 2.511 10.203 -2.509) 10.803 14.185 ( 4.658 -1.218 -2.164) 5.278 14.594 ( -0.496 2.820 5.770) 6.441 14.740 ( 6.198 -8.840 -0.672) 10.818 15.083 ( -1.994 3.560 -2.326) 4.697 15.143 ( 0.778 -1.381 -0.706) 1.735 15.619 ( -5.607 -0.905 3.501) 6.672 15.706 ( -1.098 -9.240 -4.469) 10.323 16.482 ( -3.481 -3.590 1.591) 5.248 16.516 ( -2.148 -6.459 6.358) 9.314 17.041 ( 0.962 5.261 -15.037) 15.960 17.124 ( 3.426 0.626 0.347) 3.500 17.874 ( -1.955 4.657 -0.509) 5.076 18.086 ( 5.986 -12.949 12.276) 18.820 18.835 ( -7.949 6.276 -0.551) 10.143 18.932 ( -3.929 -2.896 1.018) 4.986 19.487 ( -0.279 0.728 -0.442) 0.896 19.514 ( 1.194 -1.539 3.526) 4.029 19.951 ( -0.941 3.930 -0.725) 4.105 19.974 ( 0.285 1.330 -0.413) 1.421 20.345 ( -0.351 4.819 -5.190) 7.091 20.441 ( 2.859 -3.614 0.141) 4.610 21.384 ( 1.898 3.983 -2.634) 5.139 21.482 ( 4.837 -4.644 2.220) 7.064 21.972 ( -0.099 1.228 3.976) 4.163 22.026 ( 2.591 -3.448 -5.669) 7.123 23.656 ( -7.753 4.895 5.858) 10.881 23.762 ( -3.020 -5.023 2.160) 6.247 24.063 ( -6.543 4.039 -7.384) 10.661 24.102 ( -5.283 0.886 5.304) 7.538 24.968 ( -3.308 8.294 1.020) 8.987 25.052 ( 0.075 4.949 -1.377) 5.138 25.189 ( -6.342 -5.675 -6.852) 10.926 25.245 ( -5.765 -8.232 13.033) 16.458 25.902 ( -4.093 -2.316 -0.097) 4.704 25.936 ( -2.449 -5.589 -6.946) 9.246 27.171 ( 3.508 -1.662 2.816) 4.795 27.210 ( 4.169 -5.915 -3.024) 7.843 28.489 ( -3.933 4.934 -1.561) 6.500 28.560 ( -1.140 -1.519 -4.914) 5.268 29.262 ( -3.537 4.246 0.171) 5.529 29.285 ( -2.467 1.262 -1.058) 2.966 29.759 ( -13.972 13.794 4.794) 20.211 30.011 ( -12.261 -8.877 3.740) 15.592 30.392 ( 6.272 17.083 -2.771) 18.407 30.633 ( 11.601 2.131 -2.064) 11.974 30.830 ( 6.539 -4.230 1.879) 8.011 31.070 ( 15.245 -17.939 -3.434) 23.791 31.982 ( -5.544 4.152 -12.290) 14.107 32.070 ( -4.092 -3.431 -6.831) 8.670 32.303 ( -2.193 3.302 9.909) 10.672 32.391 ( 0.673 -4.340 13.387) 14.089 32.924 ( 7.424 5.264 2.918) 9.557 33.020 ( 3.929 -3.400 1.023) 5.296 33.599 ( 20.061 5.518 -2.132) 20.915 33.694 ( 17.198 -2.966 -6.902) 18.767 34.727 ( -4.245 2.168 2.923) 5.591 34.814 ( 1.023 -5.916 0.560) 6.030 ======================= Grid point 270 (133/136) ======================= q-point: ( 0.18 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 9.747 8.390 -1.807) 12.987 3.053 ( 9.764 -3.620 -0.760) 10.441 3.521 ( 11.237 6.844 -5.861) 14.403 3.585 ( 5.237 1.198 -0.869) 5.442 3.597 ( 8.343 12.038 4.771) 15.404 3.810 ( 9.672 -5.441 -0.188) 11.099 4.182 ( 5.950 -0.420 3.349) 6.841 4.286 ( 6.248 -7.902 4.786) 11.153 4.896 ( -2.425 4.703 -5.174) 7.401 4.930 ( -3.183 5.168 3.750) 7.134 5.257 ( -1.950 -5.125 -1.857) 5.789 5.325 ( -2.621 -8.196 5.144) 10.025 6.431 ( 0.702 3.639 -1.386) 3.957 6.468 ( 1.286 0.815 -1.369) 2.048 7.110 ( -7.622 -0.859 -4.676) 8.983 7.217 ( -4.488 -10.688 1.368) 11.673 7.876 ( 7.486 4.189 3.594) 9.301 8.026 ( 8.912 -8.304 4.045) 12.836 8.708 ( 6.981 5.241 -5.215) 10.169 8.755 ( 8.111 1.671 -0.238) 8.285 9.096 ( 6.653 0.910 -9.901) 11.963 9.157 ( 6.781 -3.022 -3.652) 8.274 9.386 ( -0.961 0.382 4.373) 4.494 9.418 ( 0.006 -2.295 4.057) 4.661 10.135 ( -6.083 19.707 -3.580) 20.933 10.414 ( -2.203 6.592 0.639) 6.979 10.576 ( -5.293 0.502 -7.620) 9.292 10.833 ( -7.535 -14.106 1.747) 16.087 11.088 ( -5.148 8.500 13.875) 17.067 11.321 ( -5.519 -11.286 7.196) 14.478 11.580 ( -5.021 10.463 2.708) 11.918 11.774 ( -7.400 -4.236 6.833) 10.927 12.065 ( -4.230 6.858 0.152) 8.059 12.216 ( -1.580 -3.419 -2.078) 4.302 12.297 ( -2.547 -3.939 0.030) 4.691 12.407 ( 2.524 -11.588 6.532) 13.540 13.346 ( -3.509 9.713 -8.211) 13.194 13.513 ( -4.521 -4.064 -9.607) 11.369 14.076 ( 1.417 11.307 -5.353) 12.590 14.242 ( 0.616 -3.301 -3.290) 4.702 14.615 ( 2.059 10.757 4.427) 11.813 14.853 ( 3.489 -8.247 -2.106) 9.200 15.053 ( 0.214 2.633 0.524) 2.693 15.148 ( -0.273 -4.624 -1.333) 4.820 15.494 ( -5.488 3.803 0.739) 6.718 15.671 ( -1.891 -11.696 -1.524) 11.946 16.388 ( -5.426 -2.856 4.489) 7.599 16.440 ( -5.222 -7.040 5.841) 10.533 17.102 ( 4.998 3.273 -15.959) 17.041 17.204 ( 4.373 -3.128 -7.088) 8.897 17.874 ( 1.362 12.747 7.587) 14.897 18.183 ( 2.237 -13.735 15.721) 20.995 18.662 ( -7.506 7.964 -3.334) 11.440 18.818 ( -6.372 -6.478 1.970) 9.298 19.456 ( -2.829 2.803 -2.241) 4.570 19.516 ( -1.516 -2.310 5.082) 5.784 19.941 ( 0.316 4.457 -2.835) 5.292 19.997 ( 2.007 -0.880 1.216) 2.507 20.361 ( 1.846 4.960 -3.663) 6.437 20.494 ( 2.302 -7.269 -2.814) 8.128 21.463 ( 5.097 7.535 -0.688) 9.123 21.580 ( 4.388 -3.600 0.768) 5.727 21.984 ( 1.127 4.161 1.178) 4.469 22.089 ( 3.395 -4.828 -5.876) 8.329 23.464 ( -10.369 8.146 6.822) 14.846 23.650 ( -7.578 -9.274 4.003) 12.628 23.885 ( -9.798 3.252 -4.897) 11.426 23.947 ( -8.842 -1.632 2.872) 9.439 24.914 ( -1.656 6.805 3.318) 7.750 25.033 ( -2.073 5.186 -2.071) 5.956 25.064 ( -5.376 -5.584 -0.367) 7.760 25.125 ( -4.344 -3.697 9.647) 11.207 25.811 ( -4.214 -0.969 -2.194) 4.849 25.870 ( -3.477 -6.318 -9.142) 11.644 27.251 ( 3.370 -1.578 3.039) 4.804 27.276 ( 1.815 -4.849 -3.397) 6.192 28.411 ( -2.781 6.642 -2.022) 7.479 28.516 ( -2.310 -2.748 -6.531) 7.452 29.171 ( -4.317 5.073 -1.809) 6.902 29.210 ( -4.208 0.375 -0.699) 4.282 29.566 ( -5.396 10.169 3.872) 12.146 29.798 ( -8.052 -9.848 5.404) 13.821 30.479 ( 2.508 14.360 -1.174) 14.625 30.740 ( 0.901 -8.581 -2.474) 8.976 31.082 ( 13.591 10.216 1.717) 17.088 31.374 ( 12.446 -15.267 -5.259) 20.387 31.877 ( -4.199 2.568 -10.685) 11.764 31.955 ( -5.950 -4.644 -10.455) 12.895 32.277 ( -1.485 6.594 15.779) 17.166 32.382 ( -3.046 -3.535 19.766) 20.309 33.049 ( 2.326 3.314 -1.993) 4.513 33.073 ( 4.019 1.200 -2.959) 5.133 34.000 ( 15.656 15.675 -5.929) 22.934 34.181 ( 25.722 7.664 -4.882) 27.280 34.685 ( 2.767 -8.762 0.896) 9.232 34.918 ( 10.222 -21.770 6.053) 24.800 ======================= Grid point 271 (134/136) ======================= q-point: ( 0.27 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 10.271 6.992 -0.467) 12.434 3.253 ( 9.089 -3.771 -1.189) 9.912 3.660 ( 4.419 6.036 4.322) 8.639 3.735 ( 6.673 -1.651 -0.238) 6.878 3.829 ( 13.430 10.971 -4.296) 17.865 4.035 ( 11.681 -6.566 -2.003) 13.549 4.333 ( 7.819 1.921 3.745) 8.880 4.440 ( 7.474 -6.577 4.509) 10.929 4.813 ( -5.867 0.207 -1.361) 6.027 4.831 ( -5.520 -1.964 0.782) 5.911 5.222 ( -1.791 -1.140 0.300) 2.144 5.265 ( -2.979 -4.250 2.355) 5.699 6.423 ( -1.538 4.582 0.340) 4.845 6.467 ( -1.540 1.373 -2.907) 3.565 6.937 ( -8.089 -0.512 -8.046) 11.421 7.087 ( -7.541 -12.887 2.267) 15.102 8.042 ( 7.293 6.775 4.650) 10.987 8.219 ( 8.391 -9.132 7.128) 14.304 8.785 ( 0.476 7.801 -6.727) 10.312 8.851 ( 1.497 1.950 -5.274) 5.818 9.251 ( 7.650 1.030 -12.055) 14.314 9.320 ( 7.296 -3.874 -9.844) 12.851 9.417 ( 4.389 1.604 7.518) 8.852 9.475 ( 5.973 -2.911 7.244) 9.830 10.048 ( -1.936 21.049 1.411) 21.185 10.380 ( -1.139 7.704 4.717) 9.104 10.493 ( -2.176 -2.513 -11.019) 11.509 10.698 ( -4.664 -11.991 3.205) 13.259 11.003 ( -3.311 8.309 16.431) 18.708 11.223 ( -4.114 -10.644 10.776) 15.695 11.488 ( -3.702 7.483 -2.668) 8.765 11.605 ( -8.126 1.384 4.256) 9.277 11.944 ( -6.084 -0.904 -1.104) 6.249 12.070 ( -9.793 -12.066 -3.115) 15.849 12.320 ( 2.716 3.291 5.080) 6.634 12.456 ( 1.431 -9.895 6.330) 11.833 13.300 ( -1.027 8.724 -8.400) 12.155 13.435 ( -2.835 -2.066 -8.632) 9.318 14.097 ( 0.851 7.305 -5.192) 9.002 14.218 ( -2.301 -5.207 -4.123) 7.029 14.642 ( -0.101 12.066 -1.843) 12.206 14.846 ( -3.651 -6.361 -3.941) 8.326 15.126 ( 5.853 0.582 7.853) 9.811 15.156 ( 2.313 -3.224 -1.683) 4.310 15.415 ( -2.316 7.263 -3.979) 8.599 15.628 ( -2.361 -10.979 2.959) 11.614 16.272 ( -5.356 -3.349 5.044) 8.083 16.315 ( -6.360 -6.719 3.821) 10.010 17.224 ( 6.587 1.688 -16.155) 17.528 17.302 ( 5.104 -3.126 -9.490) 11.220 17.907 ( 0.998 14.444 12.027) 18.822 18.159 ( -4.818 -5.587 18.721) 20.123 18.560 ( -2.069 3.120 -7.199) 8.114 18.690 ( -5.576 -7.409 2.534) 9.612 19.377 ( -4.263 1.718 -3.967) 6.071 19.450 ( -4.697 -4.394 4.533) 7.869 19.968 ( 2.247 5.127 -3.350) 6.524 20.050 ( 2.720 -1.902 2.289) 4.032 20.412 ( 2.787 3.864 -0.860) 4.842 20.534 ( 1.492 -7.225 -3.883) 8.337 21.575 ( 5.387 7.459 1.912) 9.397 21.668 ( 4.322 -1.700 -0.144) 4.647 22.018 ( 1.954 7.260 -3.412) 8.257 22.154 ( 2.589 -4.457 -5.697) 7.682 23.256 ( -8.874 8.482 4.571) 13.099 23.466 ( -9.479 -10.932 2.309) 14.652 23.689 ( -8.308 1.532 -1.124) 8.522 23.768 ( -8.065 -4.925 3.647) 10.129 24.897 ( -0.416 4.275 5.630) 7.081 24.950 ( -4.156 2.335 5.286) 7.118 24.999 ( -1.740 1.416 -2.094) 3.069 25.077 ( -1.277 -2.656 4.377) 5.277 25.734 ( -3.043 -0.236 -2.604) 4.012 25.796 ( -3.239 -5.691 -9.264) 11.344 27.286 ( -0.274 -2.422 -4.906) 5.478 27.299 ( 1.117 -2.699 3.099) 4.259 28.392 ( 0.903 6.131 -0.417) 6.211 28.482 ( -0.629 -1.639 -5.793) 6.053 29.111 ( -1.093 2.627 -3.357) 4.400 29.135 ( -2.487 0.001 -0.699) 2.583 29.489 ( -2.908 6.649 2.645) 7.724 29.661 ( -5.800 -8.135 5.890) 11.598 30.501 ( -0.228 11.569 -0.601) 11.587 30.713 ( -3.194 -7.473 -1.836) 8.332 31.317 ( 8.552 10.471 1.057) 13.561 31.550 ( 4.449 -9.887 -7.336) 13.091 31.800 ( -3.342 -0.982 -4.360) 5.580 31.831 ( -5.627 -3.205 -6.422) 9.120 32.234 ( -2.844 5.174 11.780) 13.177 32.276 ( -6.115 0.634 14.459) 15.711 33.068 ( -0.708 1.474 -2.072) 2.640 33.099 ( -1.909 -1.292 -3.385) 4.095 34.316 ( 15.761 27.876 -9.202) 33.319 34.550 ( 10.933 30.631 8.504) 33.617 34.949 ( 20.161 -32.272 -11.070) 39.629 35.205 ( 15.072 -31.750 10.014) 36.545 ======================= Grid point 272 (135/136) ======================= q-point: ( 0.36 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 8.476 4.670 -0.885) 9.718 3.417 ( 6.285 -2.347 -1.116) 6.801 3.776 ( 6.979 4.781 2.808) 8.914 3.866 ( 6.734 -3.254 0.959) 7.541 4.075 ( 8.889 10.727 -0.961) 13.965 4.263 ( 9.285 -5.521 0.082) 10.802 4.462 ( 1.703 5.544 0.978) 5.882 4.543 ( 1.731 -2.024 1.861) 3.249 4.709 ( -3.513 -7.543 0.473) 8.334 4.712 ( -2.973 -6.954 -0.714) 7.597 5.180 ( -2.069 -0.156 0.866) 2.249 5.204 ( -2.919 -2.200 0.642) 3.712 6.375 ( -2.749 5.973 4.364) 7.892 6.408 ( -3.518 2.779 -6.333) 7.760 6.794 ( -5.015 -3.412 -9.536) 11.301 6.925 ( -7.616 -13.127 4.898) 15.947 8.164 ( 4.500 8.054 3.196) 9.764 8.335 ( 1.971 -7.719 6.194) 10.091 8.773 ( -0.085 9.013 -2.229) 9.285 8.847 ( -1.023 0.828 -7.151) 7.271 9.383 ( 4.912 2.363 -9.670) 11.101 9.446 ( 6.020 -3.370 -12.181) 14.000 9.533 ( 5.135 2.864 8.445) 10.290 9.624 ( 6.121 -5.675 5.357) 9.918 10.059 ( 2.705 22.610 4.675) 23.246 10.338 ( -3.321 16.353 0.805) 16.706 10.501 ( 2.917 -9.725 -8.952) 13.536 10.636 ( -1.852 -12.380 8.784) 15.292 10.973 ( 0.354 7.898 9.890) 12.662 11.149 ( -3.256 -7.744 8.546) 11.984 11.426 ( -2.349 2.594 -2.362) 4.222 11.465 ( -5.040 2.134 2.012) 5.831 11.829 ( -4.708 -4.309 -1.366) 6.527 11.886 ( -7.100 -10.950 -1.964) 13.197 12.370 ( 1.987 1.090 3.496) 4.167 12.464 ( -0.659 -7.906 4.305) 9.026 13.295 ( 0.736 8.010 -4.954) 9.447 13.392 ( -1.350 0.706 -5.723) 5.923 14.103 ( -0.376 2.511 0.304) 2.557 14.165 ( -2.259 -5.795 -7.639) 9.851 14.627 ( -0.478 7.558 -6.007) 9.666 14.746 ( -4.819 -4.410 0.176) 6.535 15.219 ( 3.358 2.803 2.616) 5.096 15.283 ( 7.536 -1.545 1.441) 7.826 15.369 ( -2.385 7.357 -5.112) 9.270 15.573 ( -2.874 -8.748 6.715) 11.396 16.180 ( -3.514 -3.572 4.309) 6.608 16.201 ( -4.220 -5.259 0.924) 6.806 17.349 ( 5.477 2.282 -16.273) 17.321 17.403 ( 4.454 -0.765 -6.980) 8.315 17.904 ( -1.498 10.620 9.705) 14.464 18.034 ( -6.495 0.448 18.191) 19.321 18.545 ( 0.115 -0.521 -7.938) 7.956 18.600 ( -3.043 -5.401 3.724) 7.232 19.292 ( -3.498 -1.349 -4.505) 5.861 19.343 ( -5.053 -5.872 3.726) 8.596 20.026 ( 3.195 5.039 -2.884) 6.627 20.100 ( 1.834 -0.880 2.642) 3.334 20.465 ( 2.105 1.301 1.814) 3.068 20.547 ( -0.174 -5.752 -4.326) 7.199 21.688 ( 5.635 7.386 4.208) 10.199 21.771 ( 5.645 -0.500 -0.082) 5.667 22.045 ( 0.264 8.750 -7.797) 11.723 22.173 ( -1.095 -2.397 -4.169) 4.932 23.129 ( -2.996 4.885 2.448) 6.232 23.288 ( -7.036 -9.682 0.393) 11.975 23.546 ( -5.403 -0.951 1.681) 5.738 23.614 ( -6.767 -6.516 3.374) 9.982 24.882 ( -1.317 4.989 1.151) 5.287 24.892 ( -1.472 2.346 8.877) 9.299 24.983 ( 0.174 2.230 -0.572) 2.309 25.054 ( -1.118 -2.672 2.094) 3.574 25.686 ( -1.524 -0.331 -1.231) 1.987 25.735 ( -2.488 -4.472 -7.576) 9.142 27.280 ( 0.054 -1.059 -3.707) 3.855 27.308 ( -0.104 -3.082 1.107) 3.276 28.430 ( 2.299 4.951 1.150) 5.578 28.483 ( 0.469 0.680 -4.276) 4.355 29.113 ( 0.867 0.680 -2.569) 2.795 29.128 ( 2.146 -1.223 -1.748) 3.026 29.428 ( -3.137 4.339 1.460) 5.550 29.544 ( -5.692 -5.820 5.398) 9.767 30.480 ( -1.362 7.657 -0.352) 7.785 30.619 ( -5.348 -4.738 -1.444) 7.289 31.445 ( 4.226 7.364 0.982) 8.547 31.578 ( -0.471 -3.489 -7.880) 8.630 31.710 ( -4.988 -1.597 -2.401) 5.762 31.728 ( -4.692 -3.834 2.812) 6.680 32.167 ( -2.299 5.171 4.643) 7.321 32.205 ( -1.484 1.704 7.006) 7.361 33.017 ( -3.586 -1.283 -1.377) 4.050 33.028 ( -3.775 -2.138 -1.810) 4.701 34.632 ( 13.633 31.148 -8.927) 35.153 34.755 ( 8.574 32.652 9.611) 35.101 35.339 ( 15.817 -33.156 -11.155) 38.392 35.483 ( 10.457 -33.674 10.017) 36.655 ======================= Grid point 273 (136/136) ======================= q-point: ( 0.45 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 4.022 2.100 -0.583) 4.574 3.501 ( 1.591 -0.194 -0.378) 1.646 3.943 ( 8.184 4.099 0.729) 9.182 4.013 ( 5.060 -1.504 0.387) 5.293 4.163 ( 1.448 7.472 1.072) 7.686 4.303 ( -8.649 -3.711 -0.365) 9.419 4.447 ( 4.726 6.611 2.945) 8.644 4.544 ( -3.571 4.159 -2.770) 6.142 4.685 ( 3.523 -12.906 5.211) 14.357 4.735 ( 0.201 -11.298 -5.465) 12.552 5.144 ( -0.961 0.006 1.392) 1.691 5.153 ( -1.646 -0.949 -0.364) 1.934 6.331 ( -1.130 6.504 7.325) 9.861 6.343 ( -2.082 4.713 -8.090) 9.592 6.738 ( 0.029 -7.359 -9.141) 11.735 6.791 ( -4.996 -11.011 7.528) 14.243 8.245 ( 3.539 4.848 0.888) 6.067 8.316 ( -2.975 -1.443 1.794) 3.762 8.793 ( 1.515 4.567 2.650) 5.493 8.822 ( -1.170 1.528 -5.102) 5.452 9.471 ( 3.894 5.467 -6.414) 9.284 9.520 ( 0.109 3.335 -1.120) 3.519 9.630 ( 4.261 -3.779 1.012) 5.784 9.685 ( -0.361 -6.714 2.857) 7.306 10.146 ( 5.003 22.289 5.357) 23.463 10.251 ( -4.773 20.229 -3.772) 21.124 10.569 ( 2.935 -11.077 -8.410) 14.215 10.609 ( -1.360 -11.842 10.119) 15.636 11.016 ( 3.213 3.310 4.012) 6.114 11.087 ( -3.143 -2.670 1.852) 4.521 11.385 ( -0.985 0.244 4.638) 4.748 11.399 ( -1.789 -0.701 -4.504) 4.897 11.764 ( -1.198 -5.928 -0.583) 6.076 11.782 ( -2.913 -8.226 -0.965) 8.780 12.407 ( 1.621 -2.105 1.208) 2.919 12.440 ( -1.480 -5.217 1.559) 5.642 13.325 ( 1.940 6.871 -0.621) 7.167 13.363 ( -1.541 4.100 -2.796) 5.196 14.096 ( 0.199 -2.948 6.511) 7.151 14.121 ( -1.806 -5.828 -9.403) 11.209 14.634 ( 1.215 4.103 -6.002) 7.371 14.670 ( -2.463 0.273 3.682) 4.439 15.266 ( 1.449 3.686 2.237) 4.548 15.306 ( -2.578 3.008 -4.340) 5.876 15.432 ( 5.713 -0.560 -2.103) 6.114 15.517 ( -2.909 -5.220 7.005) 9.208 16.133 ( -0.864 -2.988 1.672) 3.532 16.142 ( -1.576 -3.697 -0.327) 4.032 17.438 ( 3.213 4.012 -13.085) 14.058 17.464 ( 0.924 2.768 2.595) 3.905 17.878 ( -0.029 4.533 -2.109) 4.999 17.922 ( -4.271 1.348 14.318) 15.002 18.549 ( 0.379 -1.185 -7.737) 7.837 18.561 ( -1.069 -2.542 6.072) 6.669 19.243 ( -0.848 -4.300 -4.121) 6.016 19.261 ( -2.623 -5.912 3.665) 7.434 20.088 ( 2.526 3.867 -2.515) 5.260 20.119 ( -0.292 1.571 2.582) 3.036 20.500 ( 1.383 -1.791 3.586) 4.240 20.529 ( -1.285 -4.094 -4.390) 6.139 21.812 ( 5.794 8.274 5.736) 11.616 21.875 ( 2.161 3.784 -1.834) 4.728 22.030 ( 0.376 4.659 -6.437) 7.955 22.106 ( -4.772 -0.879 -0.952) 4.944 23.126 ( 1.944 -0.310 0.663) 2.077 23.182 ( -3.437 -5.506 0.097) 6.491 23.471 ( -1.532 -3.941 1.579) 4.514 23.497 ( -3.984 -6.063 0.829) 7.302 24.865 ( -0.193 4.974 0.960) 5.069 24.871 ( -0.756 3.790 2.719) 4.725 24.999 ( 1.256 0.468 0.762) 1.542 25.028 ( -1.389 -1.487 0.244) 2.049 25.672 ( 0.146 -1.453 1.654) 2.206 25.691 ( -1.541 -3.049 -4.881) 5.958 27.288 ( 0.640 -1.215 -1.842) 2.297 27.301 ( -0.553 -2.243 0.602) 2.387 28.472 ( 1.412 3.910 2.133) 4.673 28.488 ( -0.123 2.636 -3.023) 4.013 29.155 ( 2.740 0.094 -1.138) 2.969 29.180 ( 1.485 -2.424 -1.316) 3.133 29.375 ( -0.719 1.899 -0.601) 2.117 29.430 ( -5.035 -3.022 3.903) 7.051 30.466 ( 0.555 3.024 0.098) 3.076 30.515 ( -4.027 -1.248 -0.821) 4.295 31.516 ( 3.059 3.714 0.909) 4.897 31.564 ( -0.721 0.543 -4.363) 4.455 31.620 ( -2.871 -1.856 -5.170) 6.198 31.634 ( -3.634 -2.419 7.492) 8.671 32.160 ( 0.984 4.389 -0.131) 4.500 32.184 ( -1.035 2.452 2.914) 3.946 32.957 ( -1.536 -2.549 -0.566) 3.029 32.963 ( -2.031 -2.910 -0.449) 3.577 34.842 ( 6.238 32.489 -8.093) 34.058 34.879 ( 2.435 33.057 8.383) 34.191 35.576 ( 6.954 -33.390 -9.672) 35.451 35.621 ( 2.310 -33.676 9.329) 35.020 =================== 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 3/44352 10.0 4416.985 3252.982 7619.175 0.000 -191.663 0.000 3/44352 20.0 2100.976 2281.973 3262.493 0.000 -166.901 0.000 3/44352 30.0 858.878 861.581 1069.085 0.000 -95.049 0.000 3/44352 40.0 441.764 419.590 485.556 0.000 -53.627 0.000 3/44352 50.0 268.634 242.764 271.737 0.000 -32.578 0.000 3/44352 60.0 181.023 157.698 173.531 0.000 -21.506 0.000 3/44352 70.0 130.634 111.193 121.050 0.000 -15.144 0.000 3/44352 80.0 99.144 83.296 89.931 0.000 -11.205 0.000 3/44352 90.0 78.258 65.347 70.036 0.000 -8.623 0.000 3/44352 100.0 63.744 53.144 56.567 0.000 -6.851 0.000 3/44352 110.0 53.264 44.466 47.022 0.000 -5.588 0.000 3/44352 120.0 45.447 38.060 40.002 0.000 -4.658 0.000 3/44352 130.0 39.451 33.182 34.675 0.000 -3.954 0.000 3/44352 140.0 34.742 29.366 30.525 0.000 -3.408 0.000 3/44352 150.0 30.965 26.312 27.219 0.000 -2.976 0.000 3/44352 160.0 27.882 23.820 24.534 0.000 -2.628 0.000 3/44352 170.0 25.325 21.752 22.318 0.000 -2.342 0.000 3/44352 180.0 23.175 20.010 20.461 0.000 -2.105 0.000 3/44352 190.0 21.345 18.524 18.885 0.000 -1.906 0.000 3/44352 200.0 19.772 17.244 17.533 0.000 -1.737 0.000 3/44352 210.0 18.407 16.128 16.362 0.000 -1.592 0.000 3/44352 220.0 17.211 15.149 15.339 0.000 -1.466 0.000 3/44352 230.0 16.157 14.282 14.437 0.000 -1.357 0.000 3/44352 240.0 15.222 13.511 13.638 0.000 -1.261 0.000 3/44352 250.0 14.387 12.819 12.925 0.000 -1.176 0.000 3/44352 260.0 13.637 12.196 12.285 0.000 -1.101 0.000 3/44352 270.0 12.960 11.633 11.707 0.000 -1.034 0.000 3/44352 280.0 12.347 11.120 11.184 0.000 -0.974 0.000 3/44352 290.0 11.789 10.652 10.708 0.000 -0.920 0.000 3/44352 300.0 11.279 10.223 10.272 0.000 -0.871 0.000 3/44352 310.0 10.811 9.829 9.873 0.000 -0.826 0.000 3/44352 320.0 10.381 9.465 9.506 0.000 -0.786 0.000 3/44352 330.0 9.984 9.129 9.166 0.000 -0.749 0.000 3/44352 340.0 9.617 8.816 8.852 0.000 -0.716 0.000 3/44352 350.0 9.277 8.526 8.560 0.000 -0.685 0.000 3/44352 360.0 8.960 8.255 8.288 0.000 -0.656 0.000 3/44352 370.0 8.664 8.002 8.034 0.000 -0.630 0.000 3/44352 380.0 8.388 7.765 7.797 0.000 -0.605 0.000 3/44352 390.0 8.130 7.542 7.574 0.000 -0.583 0.000 3/44352 400.0 7.887 7.333 7.364 0.000 -0.562 0.000 3/44352 410.0 7.659 7.135 7.167 0.000 -0.542 0.000 3/44352 420.0 7.444 6.949 6.981 0.000 -0.524 0.000 3/44352 430.0 7.242 6.773 6.805 0.000 -0.507 0.000 3/44352 440.0 7.050 6.606 6.639 0.000 -0.491 0.000 3/44352 450.0 6.869 6.448 6.481 0.000 -0.476 0.000 3/44352 460.0 6.697 6.297 6.331 0.000 -0.461 0.000 3/44352 470.0 6.534 6.154 6.188 0.000 -0.448 0.000 3/44352 480.0 6.379 6.018 6.053 0.000 -0.435 0.000 3/44352 490.0 6.231 5.888 5.923 0.000 -0.423 0.000 3/44352 500.0 6.091 5.764 5.799 0.000 -0.412 0.000 3/44352 510.0 5.957 5.645 5.681 0.000 -0.402 0.000 3/44352 520.0 5.828 5.531 5.568 0.000 -0.391 0.000 3/44352 530.0 5.706 5.423 5.459 0.000 -0.382 0.000 3/44352 540.0 5.589 5.318 5.355 0.000 -0.373 0.000 3/44352 550.0 5.476 5.218 5.255 0.000 -0.364 0.000 3/44352 560.0 5.369 5.122 5.160 0.000 -0.356 0.000 3/44352 570.0 5.265 5.029 5.067 0.000 -0.348 0.000 3/44352 580.0 5.166 4.940 4.978 0.000 -0.340 0.000 3/44352 590.0 5.070 4.854 4.893 0.000 -0.333 0.000 3/44352 600.0 4.979 4.772 4.810 0.000 -0.326 0.000 3/44352 610.0 4.890 4.692 4.731 0.000 -0.319 0.000 3/44352 620.0 4.805 4.615 4.654 0.000 -0.313 0.000 3/44352 630.0 4.723 4.540 4.579 0.000 -0.307 0.000 3/44352 640.0 4.643 4.469 4.508 0.000 -0.301 0.000 3/44352 650.0 4.567 4.399 4.438 0.000 -0.295 0.000 3/44352 660.0 4.493 4.332 4.371 0.000 -0.290 0.000 3/44352 670.0 4.421 4.266 4.306 0.000 -0.285 0.000 3/44352 680.0 4.352 4.203 4.242 0.000 -0.280 0.000 3/44352 690.0 4.285 4.142 4.181 0.000 -0.275 0.000 3/44352 700.0 4.220 4.082 4.122 0.000 -0.270 0.000 3/44352 710.0 4.157 4.025 4.064 0.000 -0.266 0.000 3/44352 720.0 4.096 3.969 4.008 0.000 -0.261 0.000 3/44352 730.0 4.037 3.914 3.953 0.000 -0.257 0.000 3/44352 740.0 3.979 3.861 3.900 0.000 -0.253 0.000 3/44352 750.0 3.923 3.810 3.849 0.000 -0.249 0.000 3/44352 760.0 3.869 3.760 3.799 0.000 -0.245 0.000 3/44352 770.0 3.816 3.711 3.750 0.000 -0.241 0.000 3/44352 780.0 3.765 3.663 3.702 0.000 -0.238 0.000 3/44352 790.0 3.715 3.617 3.656 0.000 -0.234 0.000 3/44352 800.0 3.667 3.572 3.611 0.000 -0.231 0.000 3/44352 810.0 3.620 3.528 3.567 0.000 -0.228 0.000 3/44352 820.0 3.574 3.486 3.524 0.000 -0.225 0.000 3/44352 830.0 3.529 3.444 3.482 0.000 -0.221 0.000 3/44352 840.0 3.485 3.403 3.441 0.000 -0.218 0.000 3/44352 850.0 3.443 3.363 3.402 0.000 -0.216 0.000 3/44352 860.0 3.401 3.325 3.363 0.000 -0.213 0.000 3/44352 870.0 3.361 3.287 3.325 0.000 -0.210 0.000 3/44352 880.0 3.321 3.250 3.287 0.000 -0.207 0.000 3/44352 890.0 3.283 3.213 3.251 0.000 -0.205 0.000 3/44352 900.0 3.245 3.178 3.216 0.000 -0.202 0.000 3/44352 910.0 3.208 3.144 3.181 0.000 -0.200 0.000 3/44352 920.0 3.172 3.110 3.147 0.000 -0.197 0.000 3/44352 930.0 3.137 3.077 3.114 0.000 -0.195 0.000 3/44352 940.0 3.103 3.044 3.081 0.000 -0.193 0.000 3/44352 950.0 3.069 3.013 3.049 0.000 -0.190 0.000 3/44352 960.0 3.037 2.981 3.018 0.000 -0.188 0.000 3/44352 970.0 3.004 2.951 2.988 0.000 -0.186 0.000 3/44352 980.0 2.973 2.921 2.958 0.000 -0.184 0.000 3/44352 990.0 2.942 2.892 2.928 0.000 -0.182 0.000 3/44352 1000.0 2.912 2.864 2.900 0.000 -0.180 0.000 3/44352 Thermal conductivity related properties were written into "kappa-m1176.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:28:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|