----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:40:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.036250570000000 -2.896423759999999 0.000000000000000 b 5.036250570000000 2.896423759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.258311110000001 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 *2 Li 0.17126009569106 0.17126009569106 0.00000000000000 6.941 3 Li 0.82873990430894 0.82873990430894 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 Li 0.17126009569106 0.17126009569106 0.50000000000000 6.941 6 Li 0.82873990430894 0.82873990430894 0.50000000000000 6.941 *7 Be 0.92086534021448 0.07913465978552 0.75000000000000 9.012 *8 Be 0.40961866168738 0.83404498676997 0.75000000000000 9.012 9 Be 0.16595501323003 0.59038133831262 0.75000000000000 9.012 10 Be 0.07913465978552 0.92086534021448 0.25000000000000 9.012 11 Be 0.83404498676997 0.40961866168738 0.25000000000000 9.012 12 Be 0.59038133831262 0.16595501323003 0.25000000000000 9.012 *13 H 0.80893466076938 0.19106533923062 0.90306935281114 1.008 *14 H 0.52346985801894 0.83384327110994 0.90068045529484 1.008 15 H 0.16615672889006 0.47653014198106 0.90068045529484 1.008 *16 H 0.41440597349713 0.58559402650287 0.75000000000000 1.008 *17 H 0.16509839317388 0.08292220442681 0.75000000000000 1.008 18 H 0.91707779557319 0.83490160682612 0.75000000000000 1.008 19 H 0.52346985801894 0.83384327110994 0.59931954470516 1.008 20 H 0.16615672889006 0.47653014198106 0.59931954470516 1.008 21 H 0.80893466076938 0.19106533923062 0.59693064718886 1.008 22 H 0.19106533923062 0.80893466076938 0.40306935281114 1.008 23 H 0.83384327110994 0.52346985801894 0.40068045529484 1.008 24 H 0.47653014198106 0.16615672889006 0.40068045529484 1.008 25 H 0.58559402650287 0.41440597349712 0.25000000000000 1.008 26 H 0.08292220442681 0.16509839317388 0.25000000000000 1.008 27 H 0.83490160682612 0.91707779557319 0.25000000000000 1.008 28 H 0.83384327110994 0.52346985801894 0.09931954470516 1.008 29 H 0.47653014198106 0.16615672889006 0.09931954470516 1.008 30 H 0.19106533923062 0.80893466076938 0.09693064718886 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.072501140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.792847519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.258311110000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 *2 Li 0.17126009569106 0.00000000000000 0.00000000000000 6.941 > 2 3 Li 0.32873990430894 0.50000000000000 0.00000000000000 6.941 > 3 4 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 4 5 Li 0.17126009569106 0.00000000000000 0.50000000000000 6.941 > 5 6 Li 0.32873990430894 0.50000000000000 0.50000000000000 6.941 > 6 7 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 8 Li 0.67126009569106 0.50000000000000 0.00000000000000 6.941 > 2 9 Li 0.82873990430894 0.00000000000000 0.00000000000000 6.941 > 3 10 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 4 11 Li 0.67126009569106 0.50000000000000 0.50000000000000 6.941 > 5 12 Li 0.82873990430894 0.00000000000000 0.50000000000000 6.941 > 6 *13 Be 0.00000000000000 0.07913465978552 0.75000000000000 9.012 > 7 *14 Be 0.12183182422868 0.71221316254129 0.75000000000000 9.012 > 8 15 Be 0.37816817577132 0.21221316254129 0.75000000000000 9.012 > 9 16 Be 0.00000000000000 0.92086534021448 0.25000000000000 9.012 > 10 17 Be 0.12183182422868 0.28778683745871 0.25000000000000 9.012 > 11 18 Be 0.37816817577132 0.78778683745871 0.25000000000000 9.012 > 12 19 Be 0.50000000000000 0.57913465978552 0.75000000000000 9.012 > 7 20 Be 0.62183182422868 0.21221316254129 0.75000000000000 9.012 > 8 21 Be 0.87816817577132 0.71221316254129 0.75000000000000 9.012 > 9 22 Be 0.50000000000000 0.42086534021448 0.25000000000000 9.012 > 10 23 Be 0.62183182422868 0.78778683745871 0.25000000000000 9.012 > 11 24 Be 0.87816817577132 0.28778683745871 0.25000000000000 9.012 > 12 *25 H 0.00000000000000 0.19106533923062 0.90306935281114 1.008 > 13 *26 H 0.17865656456444 0.65518670654550 0.90068045529484 1.008 > 14 27 H 0.32134343543556 0.15518670654550 0.90068045529484 1.008 > 15 *28 H 0.00000000000000 0.58559402650287 0.75000000000000 1.008 > 16 *29 H 0.12401029880034 0.95891190562646 0.75000000000000 1.008 > 17 30 H 0.37598970119966 0.45891190562646 0.75000000000000 1.008 > 18 31 H 0.17865656456444 0.65518670654550 0.59931954470516 1.008 > 19 32 H 0.32134343543556 0.15518670654550 0.59931954470516 1.008 > 20 33 H 0.00000000000000 0.19106533923062 0.59693064718886 1.008 > 21 34 H 0.00000000000000 0.80893466076938 0.40306935281114 1.008 > 22 35 H 0.17865656456444 0.34481329345450 0.40068045529484 1.008 > 23 36 H 0.32134343543556 0.84481329345450 0.40068045529484 1.008 > 24 37 H 0.00000000000000 0.41440597349712 0.25000000000000 1.008 > 25 38 H 0.12401029880034 0.04108809437354 0.25000000000000 1.008 > 26 39 H 0.37598970119966 0.54108809437354 0.25000000000000 1.008 > 27 40 H 0.17865656456444 0.34481329345450 0.09931954470516 1.008 > 28 41 H 0.32134343543556 0.84481329345450 0.09931954470516 1.008 > 29 42 H 0.00000000000000 0.80893466076938 0.09693064718886 1.008 > 30 43 H 0.50000000000000 0.69106533923062 0.90306935281114 1.008 > 13 44 H 0.67865656456444 0.15518670654550 0.90068045529484 1.008 > 14 45 H 0.82134343543556 0.65518670654550 0.90068045529484 1.008 > 15 46 H 0.50000000000000 0.08559402650287 0.75000000000000 1.008 > 16 47 H 0.62401029880034 0.45891190562646 0.75000000000000 1.008 > 17 48 H 0.87598970119966 0.95891190562646 0.75000000000000 1.008 > 18 49 H 0.67865656456444 0.15518670654550 0.59931954470516 1.008 > 19 50 H 0.82134343543556 0.65518670654550 0.59931954470516 1.008 > 20 51 H 0.50000000000000 0.69106533923062 0.59693064718886 1.008 > 21 52 H 0.50000000000000 0.30893466076938 0.40306935281114 1.008 > 22 53 H 0.67865656456444 0.84481329345450 0.40068045529484 1.008 > 23 54 H 0.82134343543556 0.34481329345450 0.40068045529484 1.008 > 24 55 H 0.50000000000000 0.91440597349713 0.25000000000000 1.008 > 25 56 H 0.62401029880034 0.54108809437354 0.25000000000000 1.008 > 26 57 H 0.87598970119966 0.04108809437354 0.25000000000000 1.008 > 27 58 H 0.67865656456444 0.84481329345450 0.09931954470516 1.008 > 28 59 H 0.82134343543556 0.34481329345450 0.09931954470516 1.008 > 29 60 H 0.50000000000000 0.30893466076938 0.09693064718886 1.008 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.072501140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.585695039999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.258311110000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 *3 Li 0.17126009569106 0.00000000000000 0.00000000000000 6.941 > 2 4 Li 0.17126009569106 0.50000000000000 0.00000000000000 6.941 > 2 5 Li 0.32873990430894 0.25000000000000 0.00000000000000 6.941 > 3 6 Li 0.32873990430894 0.75000000000000 0.00000000000000 6.941 > 3 7 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 4 8 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 4 9 Li 0.17126009569106 0.00000000000000 0.50000000000000 6.941 > 5 10 Li 0.17126009569106 0.50000000000000 0.50000000000000 6.941 > 5 11 Li 0.32873990430894 0.25000000000000 0.50000000000000 6.941 > 6 12 Li 0.32873990430894 0.75000000000000 0.50000000000000 6.941 > 6 13 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 14 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 15 Li 0.67126009569106 0.25000000000000 0.00000000000000 6.941 > 2 16 Li 0.67126009569106 0.75000000000000 0.00000000000000 6.941 > 2 17 Li 0.82873990430894 0.00000000000000 0.00000000000000 6.941 > 3 18 Li 0.82873990430894 0.50000000000000 0.00000000000000 6.941 > 3 19 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 4 20 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 4 21 Li 0.67126009569106 0.25000000000000 0.50000000000000 6.941 > 5 22 Li 0.67126009569106 0.75000000000000 0.50000000000000 6.941 > 5 23 Li 0.82873990430894 0.00000000000000 0.50000000000000 6.941 > 6 24 Li 0.82873990430894 0.50000000000000 0.50000000000000 6.941 > 6 *25 Be 0.00000000000000 0.03956732989276 0.75000000000000 9.012 > 7 26 Be 0.00000000000000 0.53956732989276 0.75000000000000 9.012 > 7 *27 Be 0.12183182422868 0.35610658127065 0.75000000000000 9.012 > 8 28 Be 0.12183182422868 0.85610658127065 0.75000000000000 9.012 > 8 29 Be 0.37816817577132 0.10610658127065 0.75000000000000 9.012 > 9 30 Be 0.37816817577132 0.60610658127065 0.75000000000000 9.012 > 9 31 Be 0.00000000000000 0.46043267010724 0.25000000000000 9.012 > 10 32 Be 0.00000000000000 0.96043267010724 0.25000000000000 9.012 > 10 33 Be 0.12183182422868 0.14389341872935 0.25000000000000 9.012 > 11 34 Be 0.12183182422868 0.64389341872935 0.25000000000000 9.012 > 11 35 Be 0.37816817577132 0.39389341872935 0.25000000000000 9.012 > 12 36 Be 0.37816817577132 0.89389341872935 0.25000000000000 9.012 > 12 37 Be 0.50000000000000 0.28956732989276 0.75000000000000 9.012 > 7 38 Be 0.50000000000000 0.78956732989276 0.75000000000000 9.012 > 7 39 Be 0.62183182422868 0.10610658127065 0.75000000000000 9.012 > 8 40 Be 0.62183182422868 0.60610658127065 0.75000000000000 9.012 > 8 41 Be 0.87816817577132 0.35610658127065 0.75000000000000 9.012 > 9 42 Be 0.87816817577132 0.85610658127065 0.75000000000000 9.012 > 9 43 Be 0.50000000000000 0.21043267010724 0.25000000000000 9.012 > 10 44 Be 0.50000000000000 0.71043267010724 0.25000000000000 9.012 > 10 45 Be 0.62183182422868 0.39389341872935 0.25000000000000 9.012 > 11 46 Be 0.62183182422868 0.89389341872935 0.25000000000000 9.012 > 11 47 Be 0.87816817577132 0.14389341872935 0.25000000000000 9.012 > 12 48 Be 0.87816817577132 0.64389341872935 0.25000000000000 9.012 > 12 *49 H 0.00000000000000 0.09553266961531 0.90306935281114 1.008 > 13 50 H 0.00000000000000 0.59553266961531 0.90306935281114 1.008 > 13 *51 H 0.17865656456444 0.32759335327275 0.90068045529484 1.008 > 14 52 H 0.17865656456444 0.82759335327275 0.90068045529484 1.008 > 14 53 H 0.32134343543556 0.07759335327275 0.90068045529484 1.008 > 15 54 H 0.32134343543556 0.57759335327275 0.90068045529484 1.008 > 15 *55 H 0.00000000000000 0.29279701325144 0.75000000000000 1.008 > 16 56 H 0.00000000000000 0.79279701325144 0.75000000000000 1.008 > 16 *57 H 0.12401029880034 0.47945595281323 0.75000000000000 1.008 > 17 58 H 0.12401029880034 0.97945595281323 0.75000000000000 1.008 > 17 59 H 0.37598970119966 0.22945595281323 0.75000000000000 1.008 > 18 60 H 0.37598970119966 0.72945595281323 0.75000000000000 1.008 > 18 61 H 0.17865656456444 0.32759335327275 0.59931954470516 1.008 > 19 62 H 0.17865656456444 0.82759335327275 0.59931954470516 1.008 > 19 63 H 0.32134343543556 0.07759335327275 0.59931954470516 1.008 > 20 64 H 0.32134343543556 0.57759335327275 0.59931954470516 1.008 > 20 65 H 0.00000000000000 0.09553266961531 0.59693064718886 1.008 > 21 66 H 0.00000000000000 0.59553266961531 0.59693064718886 1.008 > 21 67 H 0.00000000000000 0.40446733038469 0.40306935281114 1.008 > 22 68 H 0.00000000000000 0.90446733038469 0.40306935281114 1.008 > 22 69 H 0.17865656456444 0.17240664672725 0.40068045529484 1.008 > 23 70 H 0.17865656456444 0.67240664672725 0.40068045529484 1.008 > 23 71 H 0.32134343543556 0.42240664672725 0.40068045529484 1.008 > 24 72 H 0.32134343543556 0.92240664672725 0.40068045529484 1.008 > 24 73 H 0.00000000000000 0.20720298674856 0.25000000000000 1.008 > 25 74 H 0.00000000000000 0.70720298674856 0.25000000000000 1.008 > 25 75 H 0.12401029880034 0.02054404718677 0.25000000000000 1.008 > 26 76 H 0.12401029880034 0.52054404718677 0.25000000000000 1.008 > 26 77 H 0.37598970119966 0.27054404718677 0.25000000000000 1.008 > 27 78 H 0.37598970119966 0.77054404718677 0.25000000000000 1.008 > 27 79 H 0.17865656456444 0.17240664672725 0.09931954470516 1.008 > 28 80 H 0.17865656456444 0.67240664672725 0.09931954470516 1.008 > 28 81 H 0.32134343543556 0.42240664672725 0.09931954470516 1.008 > 29 82 H 0.32134343543556 0.92240664672725 0.09931954470516 1.008 > 29 83 H 0.00000000000000 0.40446733038469 0.09693064718886 1.008 > 30 84 H 0.00000000000000 0.90446733038469 0.09693064718886 1.008 > 30 85 H 0.50000000000000 0.34553266961531 0.90306935281114 1.008 > 13 86 H 0.50000000000000 0.84553266961531 0.90306935281114 1.008 > 13 87 H 0.67865656456444 0.07759335327275 0.90068045529484 1.008 > 14 88 H 0.67865656456444 0.57759335327275 0.90068045529484 1.008 > 14 89 H 0.82134343543556 0.32759335327275 0.90068045529484 1.008 > 15 90 H 0.82134343543556 0.82759335327275 0.90068045529484 1.008 > 15 91 H 0.50000000000000 0.04279701325144 0.75000000000000 1.008 > 16 92 H 0.50000000000000 0.54279701325144 0.75000000000000 1.008 > 16 93 H 0.62401029880034 0.22945595281323 0.75000000000000 1.008 > 17 94 H 0.62401029880034 0.72945595281323 0.75000000000000 1.008 > 17 95 H 0.87598970119966 0.47945595281323 0.75000000000000 1.008 > 18 96 H 0.87598970119966 0.97945595281323 0.75000000000000 1.008 > 18 97 H 0.67865656456444 0.07759335327275 0.59931954470516 1.008 > 19 98 H 0.67865656456444 0.57759335327275 0.59931954470516 1.008 > 19 99 H 0.82134343543556 0.32759335327275 0.59931954470516 1.008 > 20 100 H 0.82134343543556 0.82759335327275 0.59931954470516 1.008 > 20 101 H 0.50000000000000 0.34553266961531 0.59693064718886 1.008 > 21 102 H 0.50000000000000 0.84553266961531 0.59693064718886 1.008 > 21 103 H 0.50000000000000 0.15446733038469 0.40306935281114 1.008 > 22 104 H 0.50000000000000 0.65446733038469 0.40306935281114 1.008 > 22 105 H 0.67865656456444 0.42240664672725 0.40068045529484 1.008 > 23 106 H 0.67865656456444 0.92240664672725 0.40068045529484 1.008 > 23 107 H 0.82134343543556 0.17240664672725 0.40068045529484 1.008 > 24 108 H 0.82134343543556 0.67240664672725 0.40068045529484 1.008 > 24 109 H 0.50000000000000 0.45720298674856 0.25000000000000 1.008 > 25 110 H 0.50000000000000 0.95720298674856 0.25000000000000 1.008 > 25 111 H 0.62401029880034 0.27054404718677 0.25000000000000 1.008 > 26 112 H 0.62401029880034 0.77054404718677 0.25000000000000 1.008 > 26 113 H 0.87598970119966 0.02054404718677 0.25000000000000 1.008 > 27 114 H 0.87598970119966 0.52054404718677 0.25000000000000 1.008 > 27 115 H 0.67865656456444 0.42240664672725 0.09931954470516 1.008 > 28 116 H 0.67865656456444 0.92240664672725 0.09931954470516 1.008 > 28 117 H 0.82134343543556 0.17240664672725 0.09931954470516 1.008 > 29 118 H 0.82134343543556 0.67240664672725 0.09931954470516 1.008 > 29 119 H 0.50000000000000 0.15446733038469 0.09693064718886 1.008 > 30 120 H 0.50000000000000 0.65446733038469 0.09693064718886 1.008 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4569371 0.0000000 0.0000000 0.0000000 3.4505112 0.0000000 0.0000000 0.0000000 3.6124137 -------------------------- Born effective charges -------------------------- 1 Li 0.9313776 0.0000000 0.0000000 0.0000000 1.2033674 -0.1446235 0.0000000 -0.0714917 1.1173966 2 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 0.0657046 0.0000000 0.0340812 1.1229845 3 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 0.0657046 0.0000000 0.0340812 1.1229845 4 Li 0.9313776 0.0000000 0.0000000 0.0000000 1.2033674 0.1446235 0.0000000 0.0714917 1.1173966 5 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 -0.0657046 0.0000000 -0.0340812 1.1229845 6 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 -0.0657046 0.0000000 -0.0340812 1.1229845 7 Be 0.6240978 0.0000000 0.0000000 0.0000000 0.6869149 0.0000000 0.0000000 0.0000000 0.7003277 8 Be 0.6335896 -0.0311655 0.0000000 -0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 9 Be 0.6335896 0.0311655 0.0000000 0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 10 Be 0.6240978 0.0000000 0.0000000 0.0000000 0.6869149 0.0000000 0.0000000 0.0000000 0.7003277 11 Be 0.6335896 0.0311655 0.0000000 0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 12 Be 0.6335896 -0.0311655 0.0000000 -0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 13 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 -0.1595815 0.0000000 -0.1586548 -0.8136159 14 H -0.6449868 0.0710554 -0.1367405 0.0909509 -0.5490497 0.0820327 -0.1346506 0.0771985 -0.7190240 15 H -0.6449868 -0.0710554 0.1367405 -0.0909509 -0.5490497 0.0820327 0.1346506 0.0771985 -0.7190240 16 H -0.7082311 0.0000000 0.0000000 0.0000000 -0.3399206 0.0000000 0.0000000 0.0000000 -0.2399539 17 H -0.4266697 0.1609215 0.0000000 0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 18 H -0.4266697 -0.1609215 0.0000000 -0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 19 H -0.6449868 0.0710554 0.1367405 0.0909509 -0.5490497 -0.0820327 0.1346506 -0.0771985 -0.7190240 20 H -0.6449868 -0.0710554 -0.1367405 -0.0909509 -0.5490497 -0.0820327 -0.1346506 -0.0771985 -0.7190240 21 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 0.1595815 0.0000000 0.1586548 -0.8136159 22 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 0.1595815 0.0000000 0.1586548 -0.8136159 23 H -0.6449868 -0.0710554 -0.1367405 -0.0909509 -0.5490497 -0.0820327 -0.1346506 -0.0771985 -0.7190240 24 H -0.6449868 0.0710554 0.1367405 0.0909509 -0.5490497 -0.0820327 0.1346506 -0.0771985 -0.7190240 25 H -0.7082311 0.0000000 0.0000000 0.0000000 -0.3399206 0.0000000 0.0000000 0.0000000 -0.2399539 26 H -0.4266697 -0.1609215 0.0000000 -0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 27 H -0.4266697 0.1609215 0.0000000 0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 28 H -0.6449868 -0.0710554 0.1367405 -0.0909509 -0.5490497 0.0820327 0.1346506 0.0771985 -0.7190240 29 H -0.6449868 0.0710554 -0.1367405 0.0909509 -0.5490497 0.0820327 -0.1346506 0.0771985 -0.7190240 30 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 -0.1595815 0.0000000 -0.1586548 -0.8136159 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2234 Number of blocks in projector: 2234 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: 456 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2234, 2194), data: False |-- (328, 326), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (430, 422), data: True |-- (456, 450), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.669 Solver_block: 200 / 480 - Time: 0.598 Solver_block: 300 / 480 - Time: 0.602 Solver_block: 400 / 480 - Time: 0.598 Solver_block: 480 / 480 - Time: 0.516 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.060 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2234 Number of blocks in projector: 2234 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: 456 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2234, 2194), data: False |-- (328, 326), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (340, 332), data: True |-- (430, 422), data: True |-- (456, 450), 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 2026-01-09 04:40:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:40:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.036250570000000 -2.896423759999999 0.000000000000000 b 5.036250570000000 2.896423759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.258311110000001 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 2 Li 0.17126009569106 0.17126009569106 0.00000000000000 6.941 3 Li 0.82873990430894 0.82873990430894 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 Li 0.17126009569106 0.17126009569106 0.50000000000000 6.941 6 Li 0.82873990430894 0.82873990430894 0.50000000000000 6.941 7 Be 0.92086534021448 0.07913465978552 0.75000000000000 9.012 8 Be 0.40961866168738 0.83404498676997 0.75000000000000 9.012 9 Be 0.16595501323003 0.59038133831262 0.75000000000000 9.012 10 Be 0.07913465978552 0.92086534021448 0.25000000000000 9.012 11 Be 0.83404498676997 0.40961866168738 0.25000000000000 9.012 12 Be 0.59038133831262 0.16595501323003 0.25000000000000 9.012 13 H 0.80893466076938 0.19106533923062 0.90306935281114 1.008 14 H 0.52346985801894 0.83384327110994 0.90068045529484 1.008 15 H 0.16615672889006 0.47653014198106 0.90068045529484 1.008 16 H 0.41440597349713 0.58559402650287 0.75000000000000 1.008 17 H 0.16509839317388 0.08292220442681 0.75000000000000 1.008 18 H 0.91707779557319 0.83490160682612 0.75000000000000 1.008 19 H 0.52346985801894 0.83384327110994 0.59931954470516 1.008 20 H 0.16615672889006 0.47653014198106 0.59931954470516 1.008 21 H 0.80893466076938 0.19106533923062 0.59693064718886 1.008 22 H 0.19106533923062 0.80893466076938 0.40306935281114 1.008 23 H 0.83384327110994 0.52346985801894 0.40068045529484 1.008 24 H 0.47653014198106 0.16615672889006 0.40068045529484 1.008 25 H 0.58559402650287 0.41440597349712 0.25000000000000 1.008 26 H 0.08292220442681 0.16509839317388 0.25000000000000 1.008 27 H 0.83490160682612 0.91707779557319 0.25000000000000 1.008 28 H 0.83384327110994 0.52346985801894 0.09931954470516 1.008 29 H 0.47653014198106 0.16615672889006 0.09931954470516 1.008 30 H 0.19106533923062 0.80893466076938 0.09693064718886 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.072501140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.585695039999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.258311110000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 3 Li 0.17126009569106 0.00000000000000 0.00000000000000 6.941 > 3 4 Li 0.17126009569106 0.50000000000000 0.00000000000000 6.941 > 3 5 Li 0.32873990430894 0.25000000000000 0.00000000000000 6.941 > 5 6 Li 0.32873990430894 0.75000000000000 0.00000000000000 6.941 > 5 7 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 7 8 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 7 9 Li 0.17126009569106 0.00000000000000 0.50000000000000 6.941 > 9 10 Li 0.17126009569106 0.50000000000000 0.50000000000000 6.941 > 9 11 Li 0.32873990430894 0.25000000000000 0.50000000000000 6.941 > 11 12 Li 0.32873990430894 0.75000000000000 0.50000000000000 6.941 > 11 13 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 14 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 15 Li 0.67126009569106 0.25000000000000 0.00000000000000 6.941 > 3 16 Li 0.67126009569106 0.75000000000000 0.00000000000000 6.941 > 3 17 Li 0.82873990430894 0.00000000000000 0.00000000000000 6.941 > 5 18 Li 0.82873990430894 0.50000000000000 0.00000000000000 6.941 > 5 19 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 7 20 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 7 21 Li 0.67126009569106 0.25000000000000 0.50000000000000 6.941 > 9 22 Li 0.67126009569106 0.75000000000000 0.50000000000000 6.941 > 9 23 Li 0.82873990430894 0.00000000000000 0.50000000000000 6.941 > 11 24 Li 0.82873990430894 0.50000000000000 0.50000000000000 6.941 > 11 25 Be 0.00000000000000 0.03956732989276 0.75000000000000 9.012 > 25 26 Be 0.00000000000000 0.53956732989276 0.75000000000000 9.012 > 25 27 Be 0.12183182422868 0.35610658127065 0.75000000000000 9.012 > 27 28 Be 0.12183182422868 0.85610658127065 0.75000000000000 9.012 > 27 29 Be 0.37816817577132 0.10610658127065 0.75000000000000 9.012 > 29 30 Be 0.37816817577132 0.60610658127065 0.75000000000000 9.012 > 29 31 Be 0.00000000000000 0.46043267010724 0.25000000000000 9.012 > 31 32 Be 0.00000000000000 0.96043267010724 0.25000000000000 9.012 > 31 33 Be 0.12183182422868 0.14389341872935 0.25000000000000 9.012 > 33 34 Be 0.12183182422868 0.64389341872935 0.25000000000000 9.012 > 33 35 Be 0.37816817577132 0.39389341872935 0.25000000000000 9.012 > 35 36 Be 0.37816817577132 0.89389341872935 0.25000000000000 9.012 > 35 37 Be 0.50000000000000 0.28956732989276 0.75000000000000 9.012 > 25 38 Be 0.50000000000000 0.78956732989276 0.75000000000000 9.012 > 25 39 Be 0.62183182422868 0.10610658127065 0.75000000000000 9.012 > 27 40 Be 0.62183182422868 0.60610658127065 0.75000000000000 9.012 > 27 41 Be 0.87816817577132 0.35610658127065 0.75000000000000 9.012 > 29 42 Be 0.87816817577132 0.85610658127065 0.75000000000000 9.012 > 29 43 Be 0.50000000000000 0.21043267010724 0.25000000000000 9.012 > 31 44 Be 0.50000000000000 0.71043267010724 0.25000000000000 9.012 > 31 45 Be 0.62183182422868 0.39389341872935 0.25000000000000 9.012 > 33 46 Be 0.62183182422868 0.89389341872935 0.25000000000000 9.012 > 33 47 Be 0.87816817577132 0.14389341872935 0.25000000000000 9.012 > 35 48 Be 0.87816817577132 0.64389341872935 0.25000000000000 9.012 > 35 49 H 0.00000000000000 0.09553266961531 0.90306935281114 1.008 > 49 50 H 0.00000000000000 0.59553266961531 0.90306935281114 1.008 > 49 51 H 0.17865656456444 0.32759335327275 0.90068045529484 1.008 > 51 52 H 0.17865656456444 0.82759335327275 0.90068045529484 1.008 > 51 53 H 0.32134343543556 0.07759335327275 0.90068045529484 1.008 > 53 54 H 0.32134343543556 0.57759335327275 0.90068045529484 1.008 > 53 55 H 0.00000000000000 0.29279701325144 0.75000000000000 1.008 > 55 56 H 0.00000000000000 0.79279701325144 0.75000000000000 1.008 > 55 57 H 0.12401029880034 0.47945595281323 0.75000000000000 1.008 > 57 58 H 0.12401029880034 0.97945595281323 0.75000000000000 1.008 > 57 59 H 0.37598970119966 0.22945595281323 0.75000000000000 1.008 > 59 60 H 0.37598970119966 0.72945595281323 0.75000000000000 1.008 > 59 61 H 0.17865656456444 0.32759335327275 0.59931954470516 1.008 > 61 62 H 0.17865656456444 0.82759335327275 0.59931954470516 1.008 > 61 63 H 0.32134343543556 0.07759335327275 0.59931954470516 1.008 > 63 64 H 0.32134343543556 0.57759335327275 0.59931954470516 1.008 > 63 65 H 0.00000000000000 0.09553266961531 0.59693064718886 1.008 > 65 66 H 0.00000000000000 0.59553266961531 0.59693064718886 1.008 > 65 67 H 0.00000000000000 0.40446733038469 0.40306935281114 1.008 > 67 68 H 0.00000000000000 0.90446733038469 0.40306935281114 1.008 > 67 69 H 0.17865656456444 0.17240664672725 0.40068045529484 1.008 > 69 70 H 0.17865656456444 0.67240664672725 0.40068045529484 1.008 > 69 71 H 0.32134343543556 0.42240664672725 0.40068045529484 1.008 > 71 72 H 0.32134343543556 0.92240664672725 0.40068045529484 1.008 > 71 73 H 0.00000000000000 0.20720298674856 0.25000000000000 1.008 > 73 74 H 0.00000000000000 0.70720298674856 0.25000000000000 1.008 > 73 75 H 0.12401029880034 0.02054404718677 0.25000000000000 1.008 > 75 76 H 0.12401029880034 0.52054404718677 0.25000000000000 1.008 > 75 77 H 0.37598970119966 0.27054404718677 0.25000000000000 1.008 > 77 78 H 0.37598970119966 0.77054404718677 0.25000000000000 1.008 > 77 79 H 0.17865656456444 0.17240664672725 0.09931954470516 1.008 > 79 80 H 0.17865656456444 0.67240664672725 0.09931954470516 1.008 > 79 81 H 0.32134343543556 0.42240664672725 0.09931954470516 1.008 > 81 82 H 0.32134343543556 0.92240664672725 0.09931954470516 1.008 > 81 83 H 0.00000000000000 0.40446733038469 0.09693064718886 1.008 > 83 84 H 0.00000000000000 0.90446733038469 0.09693064718886 1.008 > 83 85 H 0.50000000000000 0.34553266961531 0.90306935281114 1.008 > 49 86 H 0.50000000000000 0.84553266961531 0.90306935281114 1.008 > 49 87 H 0.67865656456444 0.07759335327275 0.90068045529484 1.008 > 51 88 H 0.67865656456444 0.57759335327275 0.90068045529484 1.008 > 51 89 H 0.82134343543556 0.32759335327275 0.90068045529484 1.008 > 53 90 H 0.82134343543556 0.82759335327275 0.90068045529484 1.008 > 53 91 H 0.50000000000000 0.04279701325144 0.75000000000000 1.008 > 55 92 H 0.50000000000000 0.54279701325144 0.75000000000000 1.008 > 55 93 H 0.62401029880034 0.22945595281323 0.75000000000000 1.008 > 57 94 H 0.62401029880034 0.72945595281323 0.75000000000000 1.008 > 57 95 H 0.87598970119966 0.47945595281323 0.75000000000000 1.008 > 59 96 H 0.87598970119966 0.97945595281323 0.75000000000000 1.008 > 59 97 H 0.67865656456444 0.07759335327275 0.59931954470516 1.008 > 61 98 H 0.67865656456444 0.57759335327275 0.59931954470516 1.008 > 61 99 H 0.82134343543556 0.32759335327275 0.59931954470516 1.008 > 63 100 H 0.82134343543556 0.82759335327275 0.59931954470516 1.008 > 63 101 H 0.50000000000000 0.34553266961531 0.59693064718886 1.008 > 65 102 H 0.50000000000000 0.84553266961531 0.59693064718886 1.008 > 65 103 H 0.50000000000000 0.15446733038469 0.40306935281114 1.008 > 67 104 H 0.50000000000000 0.65446733038469 0.40306935281114 1.008 > 67 105 H 0.67865656456444 0.42240664672725 0.40068045529484 1.008 > 69 106 H 0.67865656456444 0.92240664672725 0.40068045529484 1.008 > 69 107 H 0.82134343543556 0.17240664672725 0.40068045529484 1.008 > 71 108 H 0.82134343543556 0.67240664672725 0.40068045529484 1.008 > 71 109 H 0.50000000000000 0.45720298674856 0.25000000000000 1.008 > 73 110 H 0.50000000000000 0.95720298674856 0.25000000000000 1.008 > 73 111 H 0.62401029880034 0.27054404718677 0.25000000000000 1.008 > 75 112 H 0.62401029880034 0.77054404718677 0.25000000000000 1.008 > 75 113 H 0.87598970119966 0.02054404718677 0.25000000000000 1.008 > 77 114 H 0.87598970119966 0.52054404718677 0.25000000000000 1.008 > 77 115 H 0.67865656456444 0.42240664672725 0.09931954470516 1.008 > 79 116 H 0.67865656456444 0.92240664672725 0.09931954470516 1.008 > 79 117 H 0.82134343543556 0.17240664672725 0.09931954470516 1.008 > 81 118 H 0.82134343543556 0.67240664672725 0.09931954470516 1.008 > 81 119 H 0.50000000000000 0.15446733038469 0.09693064718886 1.008 > 83 120 H 0.50000000000000 0.65446733038469 0.09693064718886 1.008 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4569371 0.0000000 0.0000000 0.0000000 3.4505112 0.0000000 0.0000000 0.0000000 3.6124137 -------------------------- Born effective charges -------------------------- 1 Li 0.9313776 0.0000000 0.0000000 0.0000000 1.2033674 -0.1446235 0.0000000 -0.0714917 1.1173966 2 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 0.0657046 0.0000000 0.0340812 1.1229845 3 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 0.0657046 0.0000000 0.0340812 1.1229845 4 Li 0.9313776 0.0000000 0.0000000 0.0000000 1.2033674 0.1446235 0.0000000 0.0714917 1.1173966 5 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 -0.0657046 0.0000000 -0.0340812 1.1229845 6 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 -0.0657046 0.0000000 -0.0340812 1.1229845 7 Be 0.6240978 0.0000000 0.0000000 0.0000000 0.6869149 0.0000000 0.0000000 0.0000000 0.7003277 8 Be 0.6335896 -0.0311655 0.0000000 -0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 9 Be 0.6335896 0.0311655 0.0000000 0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 10 Be 0.6240978 0.0000000 0.0000000 0.0000000 0.6869149 0.0000000 0.0000000 0.0000000 0.7003277 11 Be 0.6335896 0.0311655 0.0000000 0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 12 Be 0.6335896 -0.0311655 0.0000000 -0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 13 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 -0.1595815 0.0000000 -0.1586548 -0.8136159 14 H -0.6449868 0.0710554 -0.1367405 0.0909509 -0.5490497 0.0820327 -0.1346506 0.0771985 -0.7190240 15 H -0.6449868 -0.0710554 0.1367405 -0.0909509 -0.5490497 0.0820327 0.1346506 0.0771985 -0.7190240 16 H -0.7082311 0.0000000 0.0000000 0.0000000 -0.3399206 0.0000000 0.0000000 0.0000000 -0.2399539 17 H -0.4266697 0.1609215 0.0000000 0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 18 H -0.4266697 -0.1609215 0.0000000 -0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 19 H -0.6449868 0.0710554 0.1367405 0.0909509 -0.5490497 -0.0820327 0.1346506 -0.0771985 -0.7190240 20 H -0.6449868 -0.0710554 -0.1367405 -0.0909509 -0.5490497 -0.0820327 -0.1346506 -0.0771985 -0.7190240 21 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 0.1595815 0.0000000 0.1586548 -0.8136159 22 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 0.1595815 0.0000000 0.1586548 -0.8136159 23 H -0.6449868 -0.0710554 -0.1367405 -0.0909509 -0.5490497 -0.0820327 -0.1346506 -0.0771985 -0.7190240 24 H -0.6449868 0.0710554 0.1367405 0.0909509 -0.5490497 -0.0820327 0.1346506 -0.0771985 -0.7190240 25 H -0.7082311 0.0000000 0.0000000 0.0000000 -0.3399206 0.0000000 0.0000000 0.0000000 -0.2399539 26 H -0.4266697 -0.1609215 0.0000000 -0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 27 H -0.4266697 0.1609215 0.0000000 0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 28 H -0.6449868 -0.0710554 0.1367405 -0.0909509 -0.5490497 0.0820327 0.1346506 0.0771985 -0.7190240 29 H -0.6449868 0.0710554 -0.1367405 0.0909509 -0.5490497 0.0820327 -0.1346506 0.0771985 -0.7190240 30 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 -0.1595815 0.0000000 -0.1586548 -0.8136159 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 2026-01-09 04:41:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:41:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.036250570000000 -2.896423759999999 0.000000000000000 b 5.036250570000000 2.896423759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.258311110000001 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 2 Li 0.17126009569106 0.17126009569106 0.00000000000000 6.941 3 Li 0.82873990430894 0.82873990430894 0.00000000000000 6.941 4 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 5 Li 0.17126009569106 0.17126009569106 0.50000000000000 6.941 6 Li 0.82873990430894 0.82873990430894 0.50000000000000 6.941 7 Be 0.92086534021448 0.07913465978552 0.75000000000000 9.012 8 Be 0.40961866168738 0.83404498676997 0.75000000000000 9.012 9 Be 0.16595501323003 0.59038133831262 0.75000000000000 9.012 10 Be 0.07913465978552 0.92086534021448 0.25000000000000 9.012 11 Be 0.83404498676997 0.40961866168738 0.25000000000000 9.012 12 Be 0.59038133831262 0.16595501323003 0.25000000000000 9.012 13 H 0.80893466076938 0.19106533923062 0.90306935281114 1.008 14 H 0.52346985801894 0.83384327110994 0.90068045529484 1.008 15 H 0.16615672889006 0.47653014198106 0.90068045529484 1.008 16 H 0.41440597349713 0.58559402650287 0.75000000000000 1.008 17 H 0.16509839317388 0.08292220442681 0.75000000000000 1.008 18 H 0.91707779557319 0.83490160682612 0.75000000000000 1.008 19 H 0.52346985801894 0.83384327110994 0.59931954470516 1.008 20 H 0.16615672889006 0.47653014198106 0.59931954470516 1.008 21 H 0.80893466076938 0.19106533923062 0.59693064718886 1.008 22 H 0.19106533923062 0.80893466076938 0.40306935281114 1.008 23 H 0.83384327110994 0.52346985801894 0.40068045529484 1.008 24 H 0.47653014198106 0.16615672889006 0.40068045529484 1.008 25 H 0.58559402650287 0.41440597349712 0.25000000000000 1.008 26 H 0.08292220442681 0.16509839317388 0.25000000000000 1.008 27 H 0.83490160682612 0.91707779557319 0.25000000000000 1.008 28 H 0.83384327110994 0.52346985801894 0.09931954470516 1.008 29 H 0.47653014198106 0.16615672889006 0.09931954470516 1.008 30 H 0.19106533923062 0.80893466076938 0.09693064718886 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.072501140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.585695039999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.258311110000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 3 Li 0.17126009569106 0.00000000000000 0.00000000000000 6.941 > 3 4 Li 0.17126009569106 0.50000000000000 0.00000000000000 6.941 > 3 5 Li 0.32873990430894 0.25000000000000 0.00000000000000 6.941 > 5 6 Li 0.32873990430894 0.75000000000000 0.00000000000000 6.941 > 5 7 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 7 8 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 7 9 Li 0.17126009569106 0.00000000000000 0.50000000000000 6.941 > 9 10 Li 0.17126009569106 0.50000000000000 0.50000000000000 6.941 > 9 11 Li 0.32873990430894 0.25000000000000 0.50000000000000 6.941 > 11 12 Li 0.32873990430894 0.75000000000000 0.50000000000000 6.941 > 11 13 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 14 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 15 Li 0.67126009569106 0.25000000000000 0.00000000000000 6.941 > 3 16 Li 0.67126009569106 0.75000000000000 0.00000000000000 6.941 > 3 17 Li 0.82873990430894 0.00000000000000 0.00000000000000 6.941 > 5 18 Li 0.82873990430894 0.50000000000000 0.00000000000000 6.941 > 5 19 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 7 20 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 7 21 Li 0.67126009569106 0.25000000000000 0.50000000000000 6.941 > 9 22 Li 0.67126009569106 0.75000000000000 0.50000000000000 6.941 > 9 23 Li 0.82873990430894 0.00000000000000 0.50000000000000 6.941 > 11 24 Li 0.82873990430894 0.50000000000000 0.50000000000000 6.941 > 11 25 Be 0.00000000000000 0.03956732989276 0.75000000000000 9.012 > 25 26 Be 0.00000000000000 0.53956732989276 0.75000000000000 9.012 > 25 27 Be 0.12183182422868 0.35610658127065 0.75000000000000 9.012 > 27 28 Be 0.12183182422868 0.85610658127065 0.75000000000000 9.012 > 27 29 Be 0.37816817577132 0.10610658127065 0.75000000000000 9.012 > 29 30 Be 0.37816817577132 0.60610658127065 0.75000000000000 9.012 > 29 31 Be 0.00000000000000 0.46043267010724 0.25000000000000 9.012 > 31 32 Be 0.00000000000000 0.96043267010724 0.25000000000000 9.012 > 31 33 Be 0.12183182422868 0.14389341872935 0.25000000000000 9.012 > 33 34 Be 0.12183182422868 0.64389341872935 0.25000000000000 9.012 > 33 35 Be 0.37816817577132 0.39389341872935 0.25000000000000 9.012 > 35 36 Be 0.37816817577132 0.89389341872935 0.25000000000000 9.012 > 35 37 Be 0.50000000000000 0.28956732989276 0.75000000000000 9.012 > 25 38 Be 0.50000000000000 0.78956732989276 0.75000000000000 9.012 > 25 39 Be 0.62183182422868 0.10610658127065 0.75000000000000 9.012 > 27 40 Be 0.62183182422868 0.60610658127065 0.75000000000000 9.012 > 27 41 Be 0.87816817577132 0.35610658127065 0.75000000000000 9.012 > 29 42 Be 0.87816817577132 0.85610658127065 0.75000000000000 9.012 > 29 43 Be 0.50000000000000 0.21043267010724 0.25000000000000 9.012 > 31 44 Be 0.50000000000000 0.71043267010724 0.25000000000000 9.012 > 31 45 Be 0.62183182422868 0.39389341872935 0.25000000000000 9.012 > 33 46 Be 0.62183182422868 0.89389341872935 0.25000000000000 9.012 > 33 47 Be 0.87816817577132 0.14389341872935 0.25000000000000 9.012 > 35 48 Be 0.87816817577132 0.64389341872935 0.25000000000000 9.012 > 35 49 H 0.00000000000000 0.09553266961531 0.90306935281114 1.008 > 49 50 H 0.00000000000000 0.59553266961531 0.90306935281114 1.008 > 49 51 H 0.17865656456444 0.32759335327275 0.90068045529484 1.008 > 51 52 H 0.17865656456444 0.82759335327275 0.90068045529484 1.008 > 51 53 H 0.32134343543556 0.07759335327275 0.90068045529484 1.008 > 53 54 H 0.32134343543556 0.57759335327275 0.90068045529484 1.008 > 53 55 H 0.00000000000000 0.29279701325144 0.75000000000000 1.008 > 55 56 H 0.00000000000000 0.79279701325144 0.75000000000000 1.008 > 55 57 H 0.12401029880034 0.47945595281323 0.75000000000000 1.008 > 57 58 H 0.12401029880034 0.97945595281323 0.75000000000000 1.008 > 57 59 H 0.37598970119966 0.22945595281323 0.75000000000000 1.008 > 59 60 H 0.37598970119966 0.72945595281323 0.75000000000000 1.008 > 59 61 H 0.17865656456444 0.32759335327275 0.59931954470516 1.008 > 61 62 H 0.17865656456444 0.82759335327275 0.59931954470516 1.008 > 61 63 H 0.32134343543556 0.07759335327275 0.59931954470516 1.008 > 63 64 H 0.32134343543556 0.57759335327275 0.59931954470516 1.008 > 63 65 H 0.00000000000000 0.09553266961531 0.59693064718886 1.008 > 65 66 H 0.00000000000000 0.59553266961531 0.59693064718886 1.008 > 65 67 H 0.00000000000000 0.40446733038469 0.40306935281114 1.008 > 67 68 H 0.00000000000000 0.90446733038469 0.40306935281114 1.008 > 67 69 H 0.17865656456444 0.17240664672725 0.40068045529484 1.008 > 69 70 H 0.17865656456444 0.67240664672725 0.40068045529484 1.008 > 69 71 H 0.32134343543556 0.42240664672725 0.40068045529484 1.008 > 71 72 H 0.32134343543556 0.92240664672725 0.40068045529484 1.008 > 71 73 H 0.00000000000000 0.20720298674856 0.25000000000000 1.008 > 73 74 H 0.00000000000000 0.70720298674856 0.25000000000000 1.008 > 73 75 H 0.12401029880034 0.02054404718677 0.25000000000000 1.008 > 75 76 H 0.12401029880034 0.52054404718677 0.25000000000000 1.008 > 75 77 H 0.37598970119966 0.27054404718677 0.25000000000000 1.008 > 77 78 H 0.37598970119966 0.77054404718677 0.25000000000000 1.008 > 77 79 H 0.17865656456444 0.17240664672725 0.09931954470516 1.008 > 79 80 H 0.17865656456444 0.67240664672725 0.09931954470516 1.008 > 79 81 H 0.32134343543556 0.42240664672725 0.09931954470516 1.008 > 81 82 H 0.32134343543556 0.92240664672725 0.09931954470516 1.008 > 81 83 H 0.00000000000000 0.40446733038469 0.09693064718886 1.008 > 83 84 H 0.00000000000000 0.90446733038469 0.09693064718886 1.008 > 83 85 H 0.50000000000000 0.34553266961531 0.90306935281114 1.008 > 49 86 H 0.50000000000000 0.84553266961531 0.90306935281114 1.008 > 49 87 H 0.67865656456444 0.07759335327275 0.90068045529484 1.008 > 51 88 H 0.67865656456444 0.57759335327275 0.90068045529484 1.008 > 51 89 H 0.82134343543556 0.32759335327275 0.90068045529484 1.008 > 53 90 H 0.82134343543556 0.82759335327275 0.90068045529484 1.008 > 53 91 H 0.50000000000000 0.04279701325144 0.75000000000000 1.008 > 55 92 H 0.50000000000000 0.54279701325144 0.75000000000000 1.008 > 55 93 H 0.62401029880034 0.22945595281323 0.75000000000000 1.008 > 57 94 H 0.62401029880034 0.72945595281323 0.75000000000000 1.008 > 57 95 H 0.87598970119966 0.47945595281323 0.75000000000000 1.008 > 59 96 H 0.87598970119966 0.97945595281323 0.75000000000000 1.008 > 59 97 H 0.67865656456444 0.07759335327275 0.59931954470516 1.008 > 61 98 H 0.67865656456444 0.57759335327275 0.59931954470516 1.008 > 61 99 H 0.82134343543556 0.32759335327275 0.59931954470516 1.008 > 63 100 H 0.82134343543556 0.82759335327275 0.59931954470516 1.008 > 63 101 H 0.50000000000000 0.34553266961531 0.59693064718886 1.008 > 65 102 H 0.50000000000000 0.84553266961531 0.59693064718886 1.008 > 65 103 H 0.50000000000000 0.15446733038469 0.40306935281114 1.008 > 67 104 H 0.50000000000000 0.65446733038469 0.40306935281114 1.008 > 67 105 H 0.67865656456444 0.42240664672725 0.40068045529484 1.008 > 69 106 H 0.67865656456444 0.92240664672725 0.40068045529484 1.008 > 69 107 H 0.82134343543556 0.17240664672725 0.40068045529484 1.008 > 71 108 H 0.82134343543556 0.67240664672725 0.40068045529484 1.008 > 71 109 H 0.50000000000000 0.45720298674856 0.25000000000000 1.008 > 73 110 H 0.50000000000000 0.95720298674856 0.25000000000000 1.008 > 73 111 H 0.62401029880034 0.27054404718677 0.25000000000000 1.008 > 75 112 H 0.62401029880034 0.77054404718677 0.25000000000000 1.008 > 75 113 H 0.87598970119966 0.02054404718677 0.25000000000000 1.008 > 77 114 H 0.87598970119966 0.52054404718677 0.25000000000000 1.008 > 77 115 H 0.67865656456444 0.42240664672725 0.09931954470516 1.008 > 79 116 H 0.67865656456444 0.92240664672725 0.09931954470516 1.008 > 79 117 H 0.82134343543556 0.17240664672725 0.09931954470516 1.008 > 81 118 H 0.82134343543556 0.67240664672725 0.09931954470516 1.008 > 81 119 H 0.50000000000000 0.15446733038469 0.09693064718886 1.008 > 83 120 H 0.50000000000000 0.65446733038469 0.09693064718886 1.008 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4569371 0.0000000 0.0000000 0.0000000 3.4505112 0.0000000 0.0000000 0.0000000 3.6124137 -------------------------- Born effective charges -------------------------- 1 Li 0.9313776 0.0000000 0.0000000 0.0000000 1.2033674 -0.1446235 0.0000000 -0.0714917 1.1173966 2 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 0.0657046 0.0000000 0.0340812 1.1229845 3 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 0.0657046 0.0000000 0.0340812 1.1229845 4 Li 0.9313776 0.0000000 0.0000000 0.0000000 1.2033674 0.1446235 0.0000000 0.0714917 1.1173966 5 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 -0.0657046 0.0000000 -0.0340812 1.1229845 6 Li 1.1422945 0.0000000 0.0000000 0.0000000 1.0010965 -0.0657046 0.0000000 -0.0340812 1.1229845 7 Be 0.6240978 0.0000000 0.0000000 0.0000000 0.6869149 0.0000000 0.0000000 0.0000000 0.7003277 8 Be 0.6335896 -0.0311655 0.0000000 -0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 9 Be 0.6335896 0.0311655 0.0000000 0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 10 Be 0.6240978 0.0000000 0.0000000 0.0000000 0.6869149 0.0000000 0.0000000 0.0000000 0.7003277 11 Be 0.6335896 0.0311655 0.0000000 0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 12 Be 0.6335896 -0.0311655 0.0000000 -0.0219890 0.6109580 0.0000000 0.0000000 0.0000000 0.5899022 13 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 -0.1595815 0.0000000 -0.1586548 -0.8136159 14 H -0.6449868 0.0710554 -0.1367405 0.0909509 -0.5490497 0.0820327 -0.1346506 0.0771985 -0.7190240 15 H -0.6449868 -0.0710554 0.1367405 -0.0909509 -0.5490497 0.0820327 0.1346506 0.0771985 -0.7190240 16 H -0.7082311 0.0000000 0.0000000 0.0000000 -0.3399206 0.0000000 0.0000000 0.0000000 -0.2399539 17 H -0.4266697 0.1609215 0.0000000 0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 18 H -0.4266697 -0.1609215 0.0000000 -0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 19 H -0.6449868 0.0710554 0.1367405 0.0909509 -0.5490497 -0.0820327 0.1346506 -0.0771985 -0.7190240 20 H -0.6449868 -0.0710554 -0.1367405 -0.0909509 -0.5490497 -0.0820327 -0.1346506 -0.0771985 -0.7190240 21 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 0.1595815 0.0000000 0.1586548 -0.8136159 22 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 0.1595815 0.0000000 0.1586548 -0.8136159 23 H -0.6449868 -0.0710554 -0.1367405 -0.0909509 -0.5490497 -0.0820327 -0.1346506 -0.0771985 -0.7190240 24 H -0.6449868 0.0710554 0.1367405 0.0909509 -0.5490497 -0.0820327 0.1346506 -0.0771985 -0.7190240 25 H -0.7082311 0.0000000 0.0000000 0.0000000 -0.3399206 0.0000000 0.0000000 0.0000000 -0.2399539 26 H -0.4266697 -0.1609215 0.0000000 -0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 27 H -0.4266697 0.1609215 0.0000000 0.1691906 -0.6151154 0.0000000 0.0000000 0.0000000 -0.2501079 28 H -0.6449868 -0.0710554 0.1367405 -0.0909509 -0.5490497 0.0820327 0.1346506 0.0771985 -0.7190240 29 H -0.6449868 0.0710554 -0.1367405 0.0909509 -0.5490497 0.0820327 -0.1346506 0.0771985 -0.7190240 30 H -0.4828629 0.0000000 0.0000000 0.0000000 -0.6740206 -0.1595815 0.0000000 -0.1586548 -0.8136159 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 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: 0.67, Number of G-points: 299, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/124) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124 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 4.247 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.539 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.768 ( 0.000 0.000 0.000) 0.000 9.002 ( 0.000 0.000 0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.192 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 9.888 ( 0.000 0.000 0.000) 0.000 10.495 ( 0.000 0.000 0.000) 0.000 10.629 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.758 ( 0.000 0.000 0.000) 0.000 11.770 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.172 ( 0.000 0.000 0.000) 0.000 12.345 ( 0.000 0.000 0.000) 0.000 12.510 ( 0.000 0.000 0.000) 0.000 13.309 ( 0.000 0.000 0.000) 0.000 13.335 ( 0.000 0.000 0.000) 0.000 13.621 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 20.021 ( 0.000 0.000 0.000) 0.000 20.568 ( 0.000 0.000 0.000) 0.000 20.609 ( 0.000 0.000 0.000) 0.000 20.817 ( 0.000 0.000 0.000) 0.000 21.027 ( 0.000 0.000 0.000) 0.000 21.340 ( 0.000 0.000 0.000) 0.000 21.390 ( 0.000 0.000 0.000) 0.000 21.415 ( 0.000 0.000 0.000) 0.000 21.933 ( 0.000 0.000 0.000) 0.000 22.083 ( 0.000 0.000 0.000) 0.000 22.396 ( 0.000 0.000 0.000) 0.000 22.896 ( 0.000 0.000 0.000) 0.000 24.022 ( 0.000 0.000 0.000) 0.000 24.361 ( 0.000 0.000 0.000) 0.000 24.902 ( 0.000 0.000 0.000) 0.000 24.986 ( 0.000 0.000 0.000) 0.000 25.234 ( 0.000 0.000 0.000) 0.000 25.290 ( 0.000 0.000 0.000) 0.000 25.515 ( 0.000 0.000 0.000) 0.000 25.784 ( 0.000 0.000 0.000) 0.000 26.835 ( 0.000 0.000 0.000) 0.000 26.838 ( 0.000 0.000 0.000) 0.000 27.438 ( 0.000 0.000 0.000) 0.000 27.516 ( 0.000 0.000 0.000) 0.000 38.216 ( 0.000 0.000 0.000) 0.000 38.221 ( 0.000 0.000 0.000) 0.000 38.225 ( 0.000 0.000 0.000) 0.000 38.252 ( 0.000 0.000 0.000) 0.000 38.735 ( 0.000 0.000 0.000) 0.000 38.801 ( 0.000 0.000 0.000) 0.000 51.930 ( 0.000 0.000 0.000) 0.000 51.946 ( 0.000 0.000 0.000) 0.000 52.966 ( 0.000 0.000 0.000) 0.000 53.321 ( 0.000 0.000 0.000) 0.000 53.340 ( 0.000 0.000 0.000) 0.000 53.623 ( 0.000 0.000 0.000) 0.000 54.035 ( 0.000 0.000 0.000) 0.000 54.065 ( 0.000 0.000 0.000) 0.000 54.648 ( 0.000 0.000 0.000) 0.000 55.053 ( 0.000 0.000 0.000) 0.000 55.057 ( 0.000 0.000 0.000) 0.000 56.756 ( 0.000 0.000 0.000) 0.000 58.037 ( 0.000 0.000 0.000) 0.000 58.039 ( 0.000 0.000 0.000) 0.000 58.081 ( 0.000 0.000 0.000) 0.000 58.098 ( 0.000 0.000 0.000) 0.000 60.171 ( 0.000 0.000 0.000) 0.000 60.182 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/124) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 29.576 -39.173 0.000) 49.084 1.171 ( 27.084 -51.014 0.000) 57.758 1.618 ( 34.344 -72.167 0.000) 79.922 4.262 ( -2.806 2.096 0.000) 3.503 4.382 ( 7.732 15.588 0.000) 17.400 4.493 ( 8.015 14.838 0.000) 16.865 4.921 ( 4.817 -12.641 0.000) 13.527 5.208 ( -9.864 -9.658 0.000) 13.805 5.711 ( 11.947 -19.055 0.000) 22.490 6.064 ( -2.556 11.879 0.000) 12.151 6.304 ( -0.282 -7.503 0.000) 7.508 6.327 ( -4.911 15.791 0.000) 16.537 6.382 ( 2.298 0.034 0.000) 2.298 6.963 ( -13.703 -12.085 0.000) 18.271 7.158 ( 0.139 -0.537 0.000) 0.555 7.380 ( -3.719 -0.119 0.000) 3.721 7.623 ( -17.614 3.532 0.000) 17.965 7.737 ( -1.468 11.809 0.000) 11.900 7.937 ( 2.419 5.838 0.000) 6.320 8.272 ( 5.472 25.746 0.000) 26.321 8.543 ( 2.118 -3.936 0.000) 4.470 8.913 ( -0.167 24.388 0.000) 24.388 9.051 ( -5.329 -8.387 0.000) 9.937 9.235 ( -7.145 -9.389 0.000) 11.798 9.294 ( 18.526 -17.524 0.000) 25.501 9.431 ( 9.394 -7.007 0.000) 11.719 9.510 ( 5.972 5.564 0.000) 8.162 9.821 ( -9.905 1.087 0.000) 9.965 10.497 ( -4.394 6.171 0.000) 7.576 10.592 ( -3.966 -8.597 0.000) 9.467 10.715 ( 7.919 -7.276 0.000) 10.754 11.102 ( -6.681 10.201 0.000) 12.194 11.752 ( -2.037 -0.367 0.000) 2.070 11.893 ( -6.902 -3.055 0.000) 7.548 12.153 ( -2.586 0.284 0.000) 2.601 12.162 ( 1.242 3.666 0.000) 3.871 12.346 ( -0.691 -0.577 0.000) 0.900 12.619 ( 8.608 -6.261 0.000) 10.644 13.286 ( 0.320 0.758 0.000) 0.823 13.378 ( 0.409 -2.777 0.000) 2.807 13.520 ( -6.939 7.070 0.000) 9.906 14.546 ( -2.498 8.891 0.000) 9.236 20.381 ( -28.723 -17.680 0.000) 33.729 20.566 ( 0.804 0.659 0.000) 1.039 20.594 ( 0.393 2.238 0.000) 2.272 20.820 ( -5.344 -3.711 0.000) 6.506 21.286 ( -0.147 6.366 0.000) 6.367 21.376 ( 3.843 -1.682 0.000) 4.195 21.441 ( 15.357 6.048 0.000) 16.505 21.521 ( 34.566 20.890 0.000) 40.388 21.938 ( -0.677 -0.745 0.000) 1.006 22.009 ( -0.859 7.502 0.000) 7.551 22.395 ( 0.151 0.296 0.000) 0.333 22.911 ( -0.882 -1.949 0.000) 2.139 24.401 ( 1.912 -3.368 0.000) 3.873 24.756 ( -30.203 -13.358 0.000) 33.025 24.918 ( 0.643 -1.491 0.000) 1.624 25.052 ( -4.165 -8.298 0.000) 9.284 25.346 ( 3.455 -4.135 0.000) 5.388 25.417 ( 11.555 5.156 0.000) 12.653 25.772 ( -0.366 1.123 0.000) 1.181 26.812 ( -1.817 0.623 0.000) 1.921 26.842 ( 1.084 0.830 0.000) 1.365 26.898 ( 4.810 5.421 0.000) 7.248 27.429 ( -0.456 0.700 0.000) 0.836 27.503 ( -1.051 0.831 0.000) 1.340 38.210 ( 0.303 0.876 0.000) 0.927 38.231 ( -1.026 -1.422 0.000) 1.754 38.274 ( 1.461 -1.206 0.000) 1.894 38.595 ( -0.215 0.636 0.000) 0.671 38.739 ( 0.263 -0.237 0.000) 0.354 38.807 ( 0.169 -0.471 0.000) 0.500 51.895 ( -0.888 3.356 0.000) 3.472 52.484 ( -36.118 -21.407 0.000) 41.985 52.983 ( 0.592 -1.555 0.000) 1.664 53.231 ( -3.271 6.922 0.000) 7.656 53.611 ( 0.017 1.381 0.000) 1.381 53.723 ( 33.077 13.820 0.000) 35.848 54.058 ( 2.025 3.495 0.000) 4.040 54.076 ( -0.894 -1.815 0.000) 2.023 54.652 ( -0.805 -0.787 0.000) 1.126 54.886 ( 0.486 9.869 0.000) 9.881 55.230 ( 0.459 -10.053 0.000) 10.063 56.714 ( -1.658 3.902 0.000) 4.240 58.038 ( 0.863 0.827 0.000) 1.195 58.049 ( 1.045 0.085 0.000) 1.048 58.121 ( 0.848 -2.008 0.000) 2.179 58.688 ( -2.457 0.092 0.000) 2.459 60.167 ( 0.099 0.323 0.000) 0.338 60.187 ( -0.057 -0.404 0.000) 0.408 ======================= Grid point 2 (3/124) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 24.275 -37.560 0.000) 44.722 2.278 ( 26.836 -45.613 0.000) 52.922 3.135 ( 30.909 -64.430 0.000) 71.460 4.039 ( -6.924 10.551 0.000) 12.620 4.242 ( 13.006 11.862 0.000) 17.602 4.515 ( 12.294 1.757 0.000) 12.419 5.142 ( 5.468 -4.554 0.000) 7.116 5.289 ( -7.110 -7.088 0.000) 10.039 5.807 ( -8.836 8.320 0.000) 12.137 5.948 ( 0.508 12.406 0.000) 12.417 6.157 ( -0.582 -13.078 0.000) 13.091 6.353 ( -2.702 1.925 0.000) 3.317 6.500 ( 9.175 -8.064 0.000) 12.215 6.945 ( -23.437 -7.691 0.000) 24.667 7.126 ( -13.955 -1.565 0.000) 14.043 7.313 ( -0.760 5.425 0.000) 5.478 7.413 ( -3.797 21.246 0.000) 21.583 7.437 ( -6.180 0.606 0.000) 6.209 7.921 ( 5.136 1.423 0.000) 5.329 7.939 ( 7.280 18.700 0.000) 20.067 8.409 ( -2.943 29.809 0.000) 29.954 8.632 ( 5.340 -2.294 0.000) 5.812 9.121 ( -12.466 -9.087 0.000) 15.426 9.353 ( 6.376 1.225 0.000) 6.493 9.431 ( -2.553 -3.542 0.000) 4.367 9.722 ( -3.494 -6.647 0.000) 7.510 9.749 ( 9.596 -16.410 0.000) 19.010 9.784 ( 5.957 -13.721 0.000) 14.959 10.290 ( 3.102 15.513 0.000) 15.820 10.677 ( -1.789 -5.572 0.000) 5.853 10.765 ( -9.594 18.520 0.000) 20.857 10.976 ( 6.729 -11.955 0.000) 13.718 11.731 ( -3.368 -0.549 0.000) 3.412 11.869 ( -2.060 0.938 0.000) 2.264 12.092 ( -0.501 4.498 0.000) 4.526 12.113 ( -3.419 0.710 0.000) 3.492 12.316 ( -0.532 5.428 0.000) 5.454 12.832 ( 6.423 -6.826 0.000) 9.373 13.301 ( -7.722 6.043 0.000) 9.806 13.304 ( 0.767 -2.148 0.000) 2.281 13.424 ( 0.679 -1.889 0.000) 2.008 14.312 ( -3.550 13.665 0.000) 14.118 20.406 ( -14.210 -9.863 0.000) 17.298 20.534 ( -1.618 3.856 0.000) 4.182 20.563 ( 0.933 0.614 0.000) 1.118 20.851 ( -6.513 -6.803 0.000) 9.418 21.163 ( -1.254 6.795 0.000) 6.910 21.459 ( 5.128 -2.264 0.000) 5.606 21.483 ( 23.568 12.638 0.000) 26.743 21.497 ( 0.038 0.518 0.000) 0.519 21.830 ( 0.105 12.167 0.000) 12.168 21.939 ( -2.001 -0.850 0.000) 2.174 22.388 ( -0.234 0.281 0.000) 0.366 22.933 ( -1.807 -1.831 0.000) 2.572 24.505 ( 2.965 -5.470 0.000) 6.222 24.703 ( -11.865 -5.083 0.000) 12.908 24.965 ( 1.182 -2.821 0.000) 3.059 25.157 ( -1.156 -6.522 0.000) 6.624 25.442 ( 5.658 2.306 0.000) 6.109 25.478 ( 5.198 -5.329 0.000) 7.444 25.737 ( -0.538 2.405 0.000) 2.464 26.785 ( -1.729 0.289 0.000) 1.753 26.835 ( 0.928 0.933 0.000) 1.315 26.837 ( -0.218 4.003 0.000) 4.009 27.404 ( -1.135 1.342 0.000) 1.757 27.468 ( -1.554 1.636 0.000) 2.257 38.203 ( 0.568 0.289 0.000) 0.637 38.251 ( -0.439 -1.701 0.000) 1.757 38.314 ( 1.640 -1.427 0.000) 2.174 38.574 ( -0.989 1.141 0.000) 1.510 38.748 ( 0.458 -0.448 0.000) 0.641 38.820 ( 0.320 -0.707 0.000) 0.776 51.806 ( -1.205 5.332 0.000) 5.466 52.498 ( -16.055 -10.118 0.000) 18.977 53.031 ( 1.122 -2.981 0.000) 3.185 53.060 ( -5.583 6.960 0.000) 8.923 53.576 ( -0.136 2.719 0.000) 2.722 53.800 ( 12.888 4.615 0.000) 13.689 54.023 ( 4.526 3.376 0.000) 5.646 54.109 ( -1.733 -3.470 0.000) 3.879 54.653 ( -1.485 -0.493 0.000) 1.565 54.725 ( 1.071 9.555 0.000) 9.615 55.412 ( 0.981 -10.138 0.000) 10.185 56.595 ( -2.873 7.039 0.000) 7.602 58.033 ( 0.601 0.371 0.000) 0.706 58.061 ( 1.037 -0.178 0.000) 1.052 58.177 ( 1.275 -2.999 0.000) 3.259 58.649 ( -2.634 1.413 0.000) 2.989 60.164 ( 0.202 0.243 0.000) 0.316 60.192 ( -0.191 -0.306 0.000) 0.360 ======================= Grid point 3 (4/124) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 14.088 -34.840 0.000) 37.580 3.237 ( 19.676 -35.692 0.000) 40.756 3.876 ( 0.004 1.746 0.000) 1.746 4.183 ( 15.701 0.806 0.000) 15.722 4.406 ( 30.156 -29.816 0.000) 42.407 4.569 ( 6.199 3.079 0.000) 6.921 5.146 ( 5.048 4.474 0.000) 6.745 5.230 ( -4.302 7.480 0.000) 8.629 5.697 ( -17.432 -9.175 0.000) 19.699 5.786 ( 0.379 3.600 0.000) 3.619 6.276 ( 0.881 3.797 0.000) 3.898 6.304 ( -8.486 -5.452 0.000) 10.086 6.738 ( 8.159 -7.482 0.000) 11.071 6.811 ( -23.958 -3.372 0.000) 24.194 6.959 ( -14.082 0.801 0.000) 14.105 6.977 ( -4.268 20.565 0.000) 21.003 7.239 ( 1.133 2.787 0.000) 3.008 7.419 ( -2.423 -0.459 0.000) 2.466 7.825 ( 11.156 4.019 0.000) 11.858 7.878 ( -0.699 27.575 0.000) 27.584 7.951 ( 2.954 1.411 0.000) 3.274 8.739 ( 7.326 -3.021 0.000) 7.924 9.097 ( -19.177 -5.675 0.000) 20.000 9.353 ( -6.273 -1.086 0.000) 6.366 9.465 ( 10.429 1.578 0.000) 10.548 9.798 ( 2.708 19.426 0.000) 19.614 9.954 ( 6.807 -17.169 0.000) 18.469 10.135 ( 2.335 -18.706 0.000) 18.851 10.264 ( 4.436 -6.287 0.000) 7.695 10.319 ( -6.917 18.168 0.000) 19.440 10.759 ( 0.605 -4.666 0.000) 4.705 11.226 ( 5.096 -9.834 0.000) 11.076 11.710 ( -3.259 -0.851 0.000) 3.368 11.813 ( -1.141 3.671 0.000) 3.844 12.006 ( -0.087 4.695 0.000) 4.696 12.076 ( -6.507 18.976 0.000) 20.061 12.079 ( -2.856 -0.561 0.000) 2.910 12.876 ( -6.445 -0.516 0.000) 6.466 13.311 ( 5.856 -6.378 0.000) 8.659 13.365 ( 0.608 -3.722 0.000) 3.771 13.456 ( 1.051 -0.754 0.000) 1.294 14.040 ( -3.104 13.114 0.000) 13.476 20.435 ( -8.286 -6.243 0.000) 10.374 20.440 ( -3.128 3.959 0.000) 5.046 20.565 ( 0.250 -0.185 0.000) 0.311 20.924 ( -6.338 -8.960 0.000) 10.975 21.037 ( -0.569 6.452 0.000) 6.478 21.447 ( 8.034 7.341 0.000) 10.883 21.535 ( 5.763 0.740 0.000) 5.810 21.539 ( 4.424 -0.281 0.000) 4.433 21.612 ( 2.001 12.937 0.000) 13.091 21.926 ( -3.122 -0.626 0.000) 3.184 22.383 ( -0.454 -0.124 0.000) 0.471 22.935 ( -2.118 -0.796 0.000) 2.262 24.634 ( 2.834 -5.653 0.000) 6.323 24.702 ( -5.744 -4.941 0.000) 7.576 25.034 ( 1.467 -3.536 0.000) 3.829 25.243 ( 0.269 -3.525 0.000) 3.536 25.444 ( 3.054 2.170 0.000) 3.747 25.606 ( 4.600 -3.330 0.000) 5.679 25.678 ( -0.391 3.915 0.000) 3.934 26.767 ( -1.844 2.681 0.000) 3.254 26.769 ( -1.489 -0.164 0.000) 1.498 26.842 ( 1.615 -0.723 0.000) 1.769 27.352 ( -2.650 2.719 0.000) 3.797 27.429 ( -0.675 1.303 0.000) 1.467 38.212 ( 0.977 -0.463 0.000) 1.081 38.280 ( -0.001 -1.749 0.000) 1.749 38.350 ( 1.243 -0.900 0.000) 1.535 38.538 ( -1.527 1.536 0.000) 2.166 38.762 ( 0.490 -0.518 0.000) 0.714 38.836 ( 0.328 -0.679 0.000) 0.754 51.701 ( -0.981 5.166 0.000) 5.258 52.513 ( -8.516 -5.619 0.000) 10.203 52.898 ( -5.347 5.126 0.000) 7.407 53.106 ( 1.486 -4.085 0.000) 4.347 53.515 ( -0.501 3.848 0.000) 3.881 53.808 ( 3.660 3.405 0.000) 4.999 54.045 ( 6.770 1.136 0.000) 6.865 54.160 ( -2.403 -4.813 0.000) 5.380 54.579 ( 1.734 8.903 0.000) 9.071 54.639 ( -1.759 0.171 0.000) 1.768 55.600 ( 1.600 -10.265 0.000) 10.389 56.422 ( -3.431 9.051 0.000) 9.679 58.039 ( 0.664 -0.272 0.000) 0.717 58.075 ( 1.083 -0.185 0.000) 1.098 58.242 ( 1.288 -2.881 0.000) 3.156 58.589 ( -2.900 2.211 0.000) 3.646 60.163 ( 0.224 0.135 0.000) 0.262 60.193 ( -0.274 -0.105 0.000) 0.294 ======================= Grid point 4 (5/124) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 0.142 -30.981 0.000) 30.981 3.638 ( -5.496 -6.878 0.000) 8.804 4.165 ( 19.933 19.703 0.000) 28.027 4.188 ( 17.133 -20.011 0.000) 26.344 4.562 ( 6.807 2.655 0.000) 7.306 4.829 ( 18.307 0.693 0.000) 18.320 5.031 ( -0.788 10.770 0.000) 10.799 5.323 ( -0.990 -10.315 0.000) 10.363 5.652 ( -17.472 -4.648 0.000) 18.079 5.769 ( 1.657 1.245 0.000) 2.073 6.190 ( -11.522 4.322 0.000) 12.306 6.370 ( 6.582 -12.024 0.000) 13.708 6.484 ( -19.721 8.258 0.000) 21.381 6.779 ( -7.253 -0.328 0.000) 7.260 6.819 ( -2.567 0.070 0.000) 2.568 6.978 ( 5.088 -3.491 0.000) 6.170 7.249 ( 3.602 -0.828 0.000) 3.696 7.395 ( -2.316 -0.982 0.000) 2.515 7.476 ( 0.623 17.348 0.000) 17.359 7.940 ( 1.593 2.299 0.000) 2.797 8.002 ( 15.040 -8.339 0.000) 17.197 8.879 ( -23.209 8.589 0.000) 24.747 8.894 ( 8.513 -5.755 0.000) 10.276 9.254 ( -11.299 1.475 0.000) 11.395 9.483 ( 3.215 14.214 0.000) 14.573 9.602 ( 13.392 -0.867 0.000) 13.420 9.884 ( -7.411 16.505 0.000) 18.093 10.337 ( 8.493 -13.864 0.000) 16.259 10.450 ( -0.098 -18.729 0.000) 18.730 10.497 ( 3.995 -7.716 0.000) 8.689 10.845 ( 3.409 -2.508 0.000) 4.233 11.407 ( 2.613 -5.921 0.000) 6.472 11.590 ( -11.856 23.567 0.000) 26.382 11.697 ( -2.265 -0.878 0.000) 2.429 11.737 ( -0.740 3.367 0.000) 3.448 11.938 ( 0.419 3.149 0.000) 3.177 12.072 ( -1.383 -0.816 0.000) 1.606 12.828 ( -4.531 -0.681 0.000) 4.582 13.430 ( -0.388 -3.289 0.000) 3.311 13.471 ( 1.499 0.420 0.000) 1.557 13.485 ( 5.445 -5.163 0.000) 7.504 13.826 ( -1.981 8.046 0.000) 8.286 20.352 ( -2.406 2.583 0.000) 3.530 20.455 ( -3.912 -3.079 0.000) 4.978 20.573 ( -0.403 -0.763 0.000) 0.862 20.939 ( 0.130 4.258 0.000) 4.260 21.032 ( -6.202 -10.769 0.000) 12.427 21.384 ( 4.322 14.295 0.000) 14.934 21.405 ( 3.301 3.800 0.000) 5.033 21.572 ( 3.702 0.553 0.000) 3.743 21.604 ( 2.221 -0.833 0.000) 2.372 21.905 ( -2.547 -0.441 0.000) 2.585 22.383 ( -0.323 -0.295 0.000) 0.437 22.924 ( -1.427 -0.105 0.000) 1.431 24.741 ( 1.712 -3.704 0.000) 4.080 24.749 ( -2.340 -4.458 0.000) 5.035 25.107 ( 1.171 -2.953 0.000) 3.177 25.267 ( 0.234 0.994 0.000) 1.021 25.452 ( 1.383 -1.175 0.000) 1.815 25.597 ( -0.258 4.954 0.000) 4.960 25.676 ( 2.457 -0.857 0.000) 2.602 26.716 ( -1.497 1.156 0.000) 1.891 26.759 ( -0.846 -0.101 0.000) 0.852 26.892 ( 2.044 -2.428 0.000) 3.174 27.268 ( -2.827 3.221 0.000) 4.286 27.409 ( -0.119 0.572 0.000) 0.584 38.235 ( 1.009 -0.821 0.000) 1.301 38.309 ( 0.212 -1.522 0.000) 1.537 38.364 ( 0.443 0.301 0.000) 0.535 38.498 ( -1.283 1.129 0.000) 1.709 38.774 ( 0.319 -0.353 0.000) 0.476 38.848 ( 0.206 -0.410 0.000) 0.459 51.620 ( -0.508 3.089 0.000) 3.130 52.522 ( -3.823 -2.510 0.000) 4.573 52.788 ( -3.202 2.582 0.000) 4.114 53.196 ( 1.488 -4.396 0.000) 4.641 53.436 ( -0.880 4.262 0.000) 4.352 53.780 ( 0.959 2.010 0.000) 2.227 54.094 ( 4.263 0.043 0.000) 4.263 54.225 ( -2.573 -5.393 0.000) 5.975 54.456 ( 2.156 7.452 0.000) 7.758 54.617 ( -1.290 0.390 0.000) 1.347 55.797 ( 2.258 -10.292 0.000) 10.536 56.222 ( -3.360 9.956 0.000) 10.508 58.053 ( 0.481 -0.519 0.000) 0.707 58.087 ( 0.815 -0.062 0.000) 0.817 58.298 ( 1.121 -2.165 0.000) 2.438 58.523 ( -2.388 2.160 0.000) 3.220 60.163 ( 0.148 0.043 0.000) 0.154 60.191 ( -0.210 0.022 0.000) 0.211 ======================= Grid point 5 (6/124) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( 0.000 -0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.989 ( -0.000 -0.000 0.000) 0.000 4.417 ( 0.000 -0.000 0.000) 0.000 4.699 ( 0.000 -0.000 0.000) 0.000 4.878 ( -0.000 -0.000 0.000) 0.000 4.964 ( 0.000 -0.000 0.000) 0.000 5.336 ( 0.000 -0.000 0.000) 0.000 5.587 ( -0.000 -0.000 0.000) 0.000 5.762 ( -0.000 -0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 -0.000 0.000) 0.000 6.590 ( 0.000 -0.000 0.000) 0.000 6.723 ( 0.000 -0.000 0.000) 0.000 6.812 ( 0.000 -0.000 0.000) 0.000 7.032 ( 0.000 -0.000 0.000) 0.000 7.279 ( -0.000 -0.000 0.000) 0.000 7.324 ( 0.000 -0.000 0.000) 0.000 7.418 ( 0.000 -0.000 0.000) 0.000 7.925 ( 0.000 -0.000 0.000) 0.000 8.396 ( -0.000 0.000 0.000) 0.000 8.407 ( 0.000 -0.000 0.000) 0.000 9.075 ( -0.000 0.000 0.000) 0.000 9.100 ( 0.000 -0.000 0.000) 0.000 9.401 ( 0.000 -0.000 0.000) 0.000 9.678 ( 0.000 -0.000 0.000) 0.000 9.686 ( 0.000 -0.000 0.000) 0.000 10.477 ( 0.000 -0.000 0.000) 0.000 10.587 ( 0.000 -0.000 0.000) 0.000 10.768 ( 0.000 -0.000 0.000) 0.000 10.874 ( -0.000 -0.000 0.000) 0.000 11.189 ( 0.000 -0.000 0.000) 0.000 11.486 ( 0.000 -0.000 0.000) 0.000 11.695 ( -0.000 -0.000 0.000) 0.000 11.700 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 -0.000 0.000) 0.000 12.073 ( -0.000 -0.000 0.000) 0.000 12.810 ( 0.000 -0.000 0.000) 0.000 13.461 ( 0.000 -0.000 0.000) 0.000 13.472 ( 0.000 -0.000 0.000) 0.000 13.562 ( 0.000 -0.000 0.000) 0.000 13.742 ( 0.000 -0.000 0.000) 0.000 20.316 ( 0.000 -0.000 0.000) 0.000 20.462 ( 0.000 -0.000 0.000) 0.000 20.579 ( 0.000 -0.000 0.000) 0.000 20.902 ( 0.000 -0.000 0.000) 0.000 21.144 ( -0.000 -0.000 0.000) 0.000 21.231 ( 0.000 0.000 0.000) 0.000 21.387 ( 0.000 -0.000 0.000) 0.000 21.586 ( 0.000 -0.000 0.000) 0.000 21.622 ( 0.000 -0.000 0.000) 0.000 21.896 ( -0.000 -0.000 0.000) 0.000 22.385 ( -0.000 -0.000 0.000) 0.000 22.917 ( 0.000 -0.000 0.000) 0.000 24.782 ( 0.000 -0.000 0.000) 0.000 24.783 ( 0.000 -0.000 0.000) 0.000 25.143 ( 0.000 -0.000 0.000) 0.000 25.248 ( 0.000 -0.000 0.000) 0.000 25.510 ( 0.000 -0.000 0.000) 0.000 25.512 ( -0.000 0.000 0.000) 0.000 25.694 ( 0.000 -0.000 0.000) 0.000 26.699 ( 0.000 -0.000 0.000) 0.000 26.756 ( 0.000 -0.000 0.000) 0.000 26.933 ( -0.000 -0.000 0.000) 0.000 27.217 ( 0.000 -0.000 0.000) 0.000 27.404 ( 0.000 -0.000 0.000) 0.000 38.250 ( 0.000 -0.000 0.000) 0.000 38.329 ( 0.000 -0.000 0.000) 0.000 38.356 ( 0.000 -0.000 0.000) 0.000 38.481 ( 0.000 -0.000 0.000) 0.000 38.779 ( 0.000 -0.000 0.000) 0.000 38.853 ( 0.000 -0.000 0.000) 0.000 51.590 ( 0.000 -0.000 0.000) 0.000 52.524 ( 0.000 -0.000 0.000) 0.000 52.749 ( 0.000 -0.000 0.000) 0.000 53.258 ( 0.000 -0.000 0.000) 0.000 53.378 ( -0.000 0.000 0.000) 0.000 53.766 ( 0.000 -0.000 0.000) 0.000 54.116 ( 0.000 -0.000 0.000) 0.000 54.273 ( 0.000 -0.000 0.000) 0.000 54.388 ( 0.000 0.000 0.000) 0.000 54.607 ( 0.000 -0.000 0.000) 0.000 55.970 ( 0.000 -0.000 0.000) 0.000 56.047 ( 0.000 0.000 0.000) 0.000 58.061 ( 0.000 -0.000 0.000) 0.000 58.091 ( 0.000 -0.000 0.000) 0.000 58.327 ( 0.000 -0.000 0.000) 0.000 58.486 ( 0.000 -0.000 0.000) 0.000 60.164 ( 0.000 -0.000 0.000) 0.000 60.190 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/124) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 45.423 -0.000 0.000) 45.423 1.087 ( 51.342 -0.000 0.000) 51.342 1.622 ( 79.379 -0.000 0.000) 79.379 4.263 ( -5.388 0.000 0.000) 5.388 4.730 ( 1.181 -0.000 0.000) 1.181 4.740 ( 4.475 -0.000 0.000) 4.475 4.767 ( 9.787 -0.000 0.000) 9.787 4.999 ( -0.814 0.000 0.000) 0.814 5.682 ( 17.027 -0.000 0.000) 17.027 6.075 ( -7.505 0.000 0.000) 7.505 6.261 ( 0.020 -0.000 0.000) 0.020 6.331 ( -3.117 0.000 0.000) 3.117 6.453 ( -8.075 0.000 0.000) 8.075 6.613 ( -25.119 0.000 0.000) 25.119 7.282 ( -1.517 0.000 0.000) 1.517 7.293 ( -9.058 0.000 0.000) 9.058 7.442 ( -0.378 0.000 0.000) 0.378 7.803 ( -2.215 0.000 0.000) 2.215 8.039 ( 1.060 -0.000 0.000) 1.060 8.477 ( -7.251 0.000 0.000) 7.251 8.514 ( 2.464 -0.000 0.000) 2.464 8.941 ( -5.808 0.000 0.000) 5.808 9.095 ( -4.066 0.000 0.000) 4.066 9.193 ( 1.486 -0.000 0.000) 1.486 9.419 ( 9.024 -0.000 0.000) 9.024 9.574 ( 19.792 -0.000 0.000) 19.792 9.624 ( 6.481 -0.000 0.000) 6.481 9.683 ( -18.666 0.000 0.000) 18.666 10.315 ( -2.576 0.000 0.000) 2.576 10.485 ( 1.912 -0.000 0.000) 1.912 10.742 ( 8.689 -0.000 0.000) 8.689 11.099 ( -9.960 0.000 0.000) 9.960 11.719 ( -3.837 0.000 0.000) 3.837 11.773 ( 0.628 -0.000 0.000) 0.628 12.127 ( -3.388 0.000 0.000) 3.388 12.206 ( -1.423 0.000 0.000) 1.423 12.351 ( 3.528 -0.000 0.000) 3.528 12.676 ( 12.533 -0.000 0.000) 12.533 13.307 ( 0.020 -0.000 0.000) 0.020 13.352 ( 1.668 -0.000 0.000) 1.668 13.475 ( -14.421 0.000 0.000) 14.421 14.586 ( -5.219 0.000 0.000) 5.219 20.015 ( -0.507 0.000 0.000) 0.507 20.589 ( 2.023 -0.000 0.000) 2.023 20.631 ( 2.130 -0.000 0.000) 2.130 20.703 ( -10.206 0.000 0.000) 10.206 21.354 ( -3.584 0.000 0.000) 3.584 21.394 ( -0.353 0.000 0.000) 0.353 21.413 ( 6.121 -0.000 0.000) 6.121 21.890 ( -4.131 0.000 0.000) 4.131 22.061 ( -1.700 0.000 0.000) 1.700 22.400 ( 0.050 -0.000 0.000) 0.050 22.509 ( 1.833 -0.000 0.000) 1.833 22.881 ( -1.392 0.000 0.000) 1.392 24.030 ( 0.726 -0.000 0.000) 0.726 24.401 ( 3.842 -0.000 0.000) 3.842 24.916 ( 1.426 -0.000 0.000) 1.426 25.015 ( 2.884 -0.000 0.000) 2.884 25.360 ( 6.709 -0.000 0.000) 6.709 25.525 ( 0.954 -0.000 0.000) 0.954 25.775 ( -0.858 0.000 0.000) 0.858 26.795 ( -2.595 0.000 0.000) 2.595 26.861 ( 0.956 -0.000 0.000) 0.956 27.025 ( -2.218 0.000 0.000) 2.218 27.429 ( -0.880 0.000 0.000) 0.880 27.495 ( -2.062 0.000 0.000) 2.062 38.205 ( -0.303 0.000 0.000) 0.303 38.244 ( 1.356 -0.000 0.000) 1.356 38.256 ( 0.341 -0.000 0.000) 0.341 38.603 ( -0.429 0.000 0.000) 0.429 38.740 ( 0.498 -0.000 0.000) 0.498 38.805 ( 0.406 -0.000 0.000) 0.406 51.928 ( -0.163 0.000 0.000) 0.163 51.943 ( -0.307 0.000 0.000) 0.307 52.978 ( 1.152 -0.000 0.000) 1.152 53.183 ( -12.421 0.000 0.000) 12.421 53.624 ( 0.096 -0.000 0.000) 0.096 54.047 ( -1.699 0.000 0.000) 1.699 54.099 ( 5.264 -0.000 0.000) 5.264 54.208 ( 0.970 -0.000 0.000) 0.970 54.634 ( -1.405 0.000 0.000) 1.405 55.064 ( 1.064 -0.000 0.000) 1.064 55.064 ( 0.649 -0.000 0.000) 0.649 56.723 ( -3.261 0.000 0.000) 3.261 58.052 ( 1.248 -0.000 0.000) 1.248 58.086 ( 0.662 -0.000 0.000) 0.662 58.098 ( 0.046 -0.000 0.000) 0.046 58.659 ( -1.019 0.000 0.000) 1.019 60.172 ( 0.073 -0.000 0.000) 0.073 60.182 ( -0.035 0.000 0.000) 0.035 ======================= Grid point 13 (8/124) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 36.084 -27.988 0.000) 45.666 1.891 ( 38.409 -33.008 0.000) 50.644 2.694 ( 62.627 -35.114 0.000) 71.799 4.090 ( -15.588 5.680 0.000) 16.591 4.570 ( 9.043 11.450 0.000) 14.590 4.707 ( 8.741 6.228 0.000) 10.733 5.030 ( 6.075 -11.060 0.000) 12.618 5.155 ( 10.296 -6.301 0.000) 12.071 5.922 ( -9.921 13.829 0.000) 17.020 5.958 ( 9.962 -11.538 0.000) 15.244 6.116 ( -17.611 13.146 0.000) 21.976 6.218 ( -3.942 -8.970 0.000) 9.798 6.483 ( 1.468 -10.132 0.000) 10.237 6.540 ( -23.690 -10.559 0.000) 25.936 7.066 ( -6.773 9.788 0.000) 11.903 7.324 ( -6.311 -3.392 0.000) 7.165 7.398 ( -0.480 4.140 0.000) 4.168 7.683 ( -3.385 12.720 0.000) 13.163 7.983 ( 0.875 3.444 0.000) 3.554 8.286 ( -1.749 14.119 0.000) 14.227 8.608 ( 3.635 -6.304 0.000) 7.277 8.853 ( -4.659 23.010 0.000) 23.477 8.923 ( -7.382 -3.202 0.000) 8.046 9.249 ( 6.965 -8.366 0.000) 10.886 9.417 ( -20.728 4.341 0.000) 21.178 9.638 ( 6.938 -10.935 0.000) 12.950 9.687 ( 18.535 -1.735 0.000) 18.616 9.705 ( 9.369 1.072 0.000) 9.430 10.408 ( -4.732 -3.551 0.000) 5.916 10.587 ( 4.649 -5.396 0.000) 7.123 10.890 ( 9.202 -6.762 0.000) 11.419 10.891 ( -14.577 9.591 0.000) 17.449 11.684 ( -4.746 -0.824 0.000) 4.817 11.808 ( -1.602 -2.752 0.000) 3.185 12.084 ( -3.973 0.822 0.000) 4.057 12.154 ( -2.008 3.302 0.000) 3.865 12.396 ( 5.873 1.637 0.000) 6.097 12.832 ( 10.017 -2.819 0.000) 10.406 13.264 ( -17.439 3.459 0.000) 17.778 13.300 ( 1.103 0.286 0.000) 1.139 13.399 ( 1.839 -2.278 0.000) 2.927 14.453 ( -6.517 7.863 0.000) 10.213 20.109 ( -5.426 -9.771 0.000) 11.177 20.558 ( -7.733 2.728 0.000) 8.200 20.603 ( 2.612 1.083 0.000) 2.828 20.698 ( -2.181 -4.085 0.000) 4.631 21.246 ( -3.391 5.378 0.000) 6.358 21.435 ( -1.704 -3.214 0.000) 3.638 21.488 ( 6.395 -1.129 0.000) 6.494 21.837 ( -4.185 1.275 0.000) 4.375 21.990 ( -0.500 6.310 0.000) 6.330 22.178 ( 16.802 26.854 0.000) 31.677 22.391 ( -0.848 0.550 0.000) 1.011 22.881 ( -1.916 -1.646 0.000) 2.526 24.326 ( -11.659 -21.075 0.000) 24.085 24.471 ( 4.916 -2.848 0.000) 5.681 24.944 ( 1.962 -1.260 0.000) 2.331 25.081 ( 3.773 -3.528 0.000) 5.165 25.468 ( 8.130 -3.242 0.000) 8.753 25.522 ( 2.440 1.549 0.000) 2.891 25.757 ( -1.233 0.929 0.000) 1.544 26.766 ( -2.822 0.052 0.000) 2.823 26.861 ( 0.782 0.920 0.000) 1.207 26.931 ( -1.161 6.204 0.000) 6.312 27.411 ( -1.319 0.790 0.000) 1.537 27.465 ( -2.636 0.586 0.000) 2.700 38.214 ( 0.185 -0.591 0.000) 0.619 38.228 ( 0.573 0.507 0.000) 0.765 38.301 ( 1.219 -2.160 0.000) 2.481 38.586 ( -0.711 1.196 0.000) 1.391 38.748 ( 0.659 -0.218 0.000) 0.694 38.814 ( 0.520 -0.442 0.000) 0.682 51.872 ( -1.058 3.594 0.000) 3.747 52.124 ( -7.147 -15.050 0.000) 16.661 53.005 ( 1.623 -1.541 0.000) 2.238 53.028 ( -14.068 1.904 0.000) 14.196 53.612 ( 0.047 1.519 0.000) 1.520 54.043 ( -2.367 -1.800 0.000) 2.974 54.091 ( 6.561 11.590 0.000) 13.318 54.131 ( 6.769 2.631 0.000) 7.262 54.624 ( -1.958 -0.718 0.000) 2.086 54.904 ( 1.264 9.749 0.000) 9.830 55.247 ( 1.216 -10.124 0.000) 10.197 56.652 ( -4.354 3.672 0.000) 5.696 58.055 ( 0.978 1.471 0.000) 1.767 58.072 ( 1.085 -0.189 0.000) 1.101 58.143 ( 1.191 -2.569 0.000) 2.831 58.640 ( -2.224 0.784 0.000) 2.358 60.170 ( 0.155 0.235 0.000) 0.282 60.185 ( -0.158 -0.288 0.000) 0.328 ======================= Grid point 14 (9/124) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 25.820 -24.398 0.000) 35.524 2.826 ( 24.416 -35.529 0.000) 43.110 3.879 ( -9.005 1.327 0.000) 9.102 3.894 ( 37.996 -39.817 0.000) 55.037 4.590 ( 20.126 -0.434 0.000) 20.130 4.684 ( 3.284 4.019 0.000) 5.191 5.236 ( 4.407 -5.387 0.000) 6.960 5.316 ( 9.870 2.441 0.000) 10.167 5.535 ( -13.351 14.939 0.000) 20.036 5.759 ( -18.992 3.830 0.000) 19.375 6.150 ( -4.358 -4.658 0.000) 6.379 6.335 ( 0.074 -4.958 0.000) 4.958 6.502 ( -14.809 -8.672 0.000) 17.161 6.705 ( 5.313 -11.124 0.000) 12.328 6.803 ( -11.622 9.083 0.000) 14.750 7.278 ( -3.982 0.127 0.000) 3.984 7.310 ( -5.958 22.768 0.000) 23.535 7.385 ( 2.459 0.623 0.000) 2.537 7.971 ( -0.607 -0.042 0.000) 0.608 8.056 ( 3.344 11.023 0.000) 11.519 8.371 ( 0.101 27.903 0.000) 27.903 8.764 ( 7.427 -3.848 0.000) 8.364 8.865 ( -12.080 -1.071 0.000) 12.128 9.176 ( -20.792 -2.061 0.000) 20.894 9.529 ( 11.182 -10.961 0.000) 15.659 9.811 ( 7.817 -5.808 0.000) 9.739 9.902 ( 6.917 -11.203 0.000) 13.166 9.951 ( 9.946 -7.924 0.000) 12.717 10.301 ( -3.494 9.022 0.000) 9.675 10.518 ( -14.264 15.294 0.000) 20.914 10.731 ( 8.520 -3.755 0.000) 9.310 11.122 ( 7.433 -9.248 0.000) 11.865 11.657 ( -4.349 -1.286 0.000) 4.535 11.825 ( -1.864 -0.900 0.000) 2.070 12.025 ( -4.553 0.516 0.000) 4.583 12.069 ( -2.160 3.741 0.000) 4.320 12.323 ( -0.781 13.518 0.000) 13.540 12.820 ( -8.677 2.491 0.000) 9.027 13.224 ( 2.525 -8.192 0.000) 8.572 13.329 ( 1.731 -1.820 0.000) 2.512 13.453 ( 2.284 -1.526 0.000) 2.747 14.215 ( -5.963 11.607 0.000) 13.049 20.212 ( -6.036 -8.855 0.000) 10.717 20.433 ( -9.301 1.636 0.000) 9.444 20.604 ( 2.686 1.700 0.000) 3.178 20.756 ( -1.677 -4.732 0.000) 5.021 21.121 ( -3.034 5.228 0.000) 6.045 21.459 ( -2.087 -1.664 0.000) 2.669 21.568 ( 5.286 -1.095 0.000) 5.399 21.776 ( 0.929 3.492 0.000) 3.613 21.848 ( 1.930 10.683 0.000) 10.856 21.974 ( 9.388 13.612 0.000) 16.535 22.371 ( -1.634 0.024 0.000) 1.634 22.891 ( -2.128 -1.678 0.000) 2.710 24.489 ( -8.652 -11.413 0.000) 14.322 24.584 ( 4.747 -4.257 0.000) 6.376 24.997 ( 2.138 -2.536 0.000) 3.317 25.190 ( 3.539 -4.178 0.000) 5.475 25.516 ( 2.276 2.234 0.000) 3.189 25.606 ( 7.076 -3.243 0.000) 7.784 25.720 ( -1.223 1.857 0.000) 2.223 26.742 ( -2.540 -0.526 0.000) 2.594 26.816 ( -1.903 5.113 0.000) 5.456 26.855 ( 1.073 0.467 0.000) 1.170 27.369 ( -2.421 2.125 0.000) 3.221 27.431 ( -1.897 0.487 0.000) 1.959 38.219 ( 0.989 0.102 0.000) 0.994 38.249 ( 0.222 -1.746 0.000) 1.760 38.346 ( 1.465 -1.464 0.000) 2.071 38.550 ( -1.401 1.738 0.000) 2.233 38.760 ( 0.685 -0.355 0.000) 0.771 38.829 ( 0.531 -0.602 0.000) 0.802 51.784 ( -0.898 5.217 0.000) 5.294 52.277 ( -7.017 -11.226 0.000) 13.239 52.861 ( -12.612 1.510 0.000) 12.702 53.062 ( 1.929 -2.909 0.000) 3.491 53.572 ( -0.220 3.045 0.000) 3.053 53.975 ( 5.480 8.946 0.000) 10.491 54.062 ( -2.800 -3.456 0.000) 4.448 54.151 ( 6.903 2.868 0.000) 7.475 54.616 ( -2.090 -0.610 0.000) 2.177 54.754 ( 1.689 9.291 0.000) 9.443 55.438 ( 1.607 -10.359 0.000) 10.482 56.517 ( -4.692 6.498 0.000) 8.015 58.047 ( 0.900 0.550 0.000) 1.055 58.093 ( 1.966 -0.291 0.000) 1.988 58.202 ( 1.038 -2.868 0.000) 3.050 58.590 ( -3.143 1.758 0.000) 3.601 60.168 ( 0.180 0.209 0.000) 0.276 60.187 ( -0.325 -0.227 0.000) 0.396 ======================= Grid point 15 (10/124) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 10.020 -19.742 0.000) 22.139 3.413 ( 0.415 -15.333 0.000) 15.339 4.021 ( 11.157 -17.340 0.000) 20.619 4.520 ( 15.762 -6.793 0.000) 17.164 4.645 ( 1.229 1.534 0.000) 1.965 5.001 ( 2.235 6.852 0.000) 7.207 5.200 ( -5.750 10.898 0.000) 12.322 5.247 ( 18.925 -15.529 0.000) 24.480 5.394 ( 2.975 -3.030 0.000) 4.246 5.641 ( -10.674 -3.430 0.000) 11.211 6.101 ( -11.237 -1.840 0.000) 11.387 6.363 ( 5.424 4.989 0.000) 7.370 6.486 ( -4.859 1.800 0.000) 5.182 6.607 ( -15.298 -6.287 0.000) 16.539 6.896 ( -3.924 15.006 0.000) 15.510 6.921 ( 2.978 -6.431 0.000) 7.087 7.284 ( 3.408 -1.419 0.000) 3.692 7.375 ( -0.195 1.793 0.000) 1.804 7.837 ( -1.284 18.390 0.000) 18.435 8.027 ( 3.021 9.313 0.000) 9.791 8.034 ( 8.099 -2.605 0.000) 8.508 8.717 ( -17.024 1.770 0.000) 17.116 8.867 ( 2.649 -3.822 0.000) 4.650 9.092 ( -12.474 -5.621 0.000) 13.682 9.728 ( 9.456 0.566 0.000) 9.473 9.862 ( 0.966 21.378 0.000) 21.400 10.087 ( -0.131 -17.851 0.000) 17.852 10.100 ( -7.620 15.894 0.000) 17.626 10.211 ( 12.779 -15.383 0.000) 19.998 10.338 ( -1.951 -11.266 0.000) 11.434 10.884 ( 11.985 -2.016 0.000) 12.154 11.330 ( 5.117 -7.264 0.000) 8.885 11.646 ( -3.269 -1.958 0.000) 3.811 11.789 ( -1.020 3.107 0.000) 3.270 11.905 ( -11.346 24.316 0.000) 26.833 11.987 ( -2.129 2.659 0.000) 3.407 12.001 ( -4.197 -2.283 0.000) 4.777 12.762 ( -3.317 -1.998 0.000) 3.872 13.385 ( 1.378 -2.461 0.000) 2.820 13.416 ( 3.964 -7.822 0.000) 8.770 13.495 ( 2.762 -0.325 0.000) 2.781 13.965 ( -4.277 10.741 0.000) 11.561 20.299 ( -4.864 -7.522 0.000) 8.958 20.328 ( -8.121 0.253 0.000) 8.125 20.602 ( 2.596 1.476 0.000) 2.986 20.831 ( -2.485 -6.524 0.000) 6.981 21.012 ( -1.859 4.393 0.000) 4.770 21.446 ( -2.406 0.698 0.000) 2.506 21.622 ( 3.290 -0.140 0.000) 3.293 21.670 ( 4.130 13.198 0.000) 13.830 21.736 ( 7.492 6.705 0.000) 10.055 21.868 ( -1.225 2.989 0.000) 3.230 22.363 ( -1.624 -0.937 0.000) 1.875 22.897 ( -1.575 -1.201 0.000) 1.981 24.592 ( -5.008 -9.010 0.000) 10.308 24.699 ( 3.569 -3.912 0.000) 5.295 25.069 ( 2.009 -3.120 0.000) 3.711 25.273 ( 2.362 -1.409 0.000) 2.750 25.487 ( 1.383 2.726 0.000) 3.057 25.666 ( -0.856 3.314 0.000) 3.423 25.699 ( 4.296 -0.620 0.000) 4.341 26.728 ( -1.932 2.559 0.000) 3.206 26.734 ( -1.955 -1.084 0.000) 2.236 26.876 ( 1.668 -1.443 0.000) 2.205 27.295 ( -2.796 3.063 0.000) 4.147 27.411 ( -1.025 0.232 0.000) 1.051 38.235 ( 1.219 -0.530 0.000) 1.329 38.284 ( 0.398 -1.813 0.000) 1.856 38.376 ( 1.295 -0.231 0.000) 1.316 38.503 ( -1.892 1.518 0.000) 2.426 38.772 ( 0.532 -0.308 0.000) 0.615 38.844 ( 0.420 -0.493 0.000) 0.648 51.686 ( -0.455 4.907 0.000) 4.928 52.383 ( -4.599 -7.980 0.000) 9.210 52.739 ( -9.641 -0.392 0.000) 9.649 53.141 ( 1.957 -3.867 0.000) 4.334 53.504 ( -0.613 4.265 0.000) 4.309 53.888 ( 4.293 6.726 0.000) 7.980 54.107 ( -2.846 -4.898 0.000) 5.664 54.163 ( 4.509 2.551 0.000) 5.180 54.605 ( -1.450 -0.286 0.000) 1.478 54.617 ( 1.991 8.588 0.000) 8.816 55.637 ( 2.012 -10.650 0.000) 10.838 56.343 ( -4.333 8.291 0.000) 9.355 58.052 ( 0.914 0.009 0.000) 0.914 58.116 ( 2.833 0.463 0.000) 2.871 58.260 ( 0.392 -2.980 0.000) 3.005 58.524 ( -3.619 1.797 0.000) 4.040 60.166 ( 0.100 0.152 0.000) 0.182 60.186 ( -0.392 -0.165 0.000) 0.425 ======================= Grid point 16 (11/124) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( -5.218 -19.387 0.000) 20.077 3.595 ( 2.387 -8.575 0.000) 8.901 4.346 ( 2.707 -7.249 0.000) 7.738 4.538 ( 15.523 29.629 0.000) 33.449 4.734 ( 5.172 -4.220 0.000) 6.675 4.762 ( -17.145 -5.331 0.000) 17.955 4.893 ( -16.134 9.323 0.000) 18.634 5.537 ( 5.293 -8.750 0.000) 10.227 5.542 ( -18.216 -1.818 0.000) 18.307 5.622 ( 24.111 8.091 0.000) 25.432 6.086 ( -0.109 -5.147 0.000) 5.148 6.417 ( 11.878 5.057 0.000) 12.910 6.453 ( 1.582 -12.087 0.000) 12.190 6.668 ( -1.876 -6.402 0.000) 6.671 6.760 ( -2.872 -0.553 0.000) 2.925 6.958 ( -7.962 -2.320 0.000) 8.293 7.321 ( 3.125 3.045 0.000) 4.363 7.404 ( 4.064 -3.943 0.000) 5.662 7.515 ( 3.269 17.079 0.000) 17.389 7.944 ( -0.789 3.125 0.000) 3.223 8.268 ( 3.156 -12.963 0.000) 13.342 8.451 ( -11.727 9.201 0.000) 14.906 8.968 ( -8.141 -7.131 0.000) 10.822 9.078 ( 0.393 -2.604 0.000) 2.633 9.537 ( 1.351 13.706 0.000) 13.772 9.720 ( -2.214 4.347 0.000) 4.879 9.801 ( 0.240 12.088 0.000) 12.090 10.347 ( -0.699 -12.008 0.000) 12.028 10.493 ( -4.487 -8.256 0.000) 9.396 10.610 ( 9.087 -13.786 0.000) 16.511 11.035 ( 15.163 0.339 0.000) 15.167 11.363 ( -8.175 21.104 0.000) 22.632 11.471 ( 1.898 -2.297 0.000) 2.980 11.661 ( -1.386 -2.447 0.000) 2.812 11.727 ( -0.292 2.516 0.000) 2.533 11.922 ( -1.923 2.089 0.000) 2.839 12.021 ( -3.360 -3.526 0.000) 4.870 12.790 ( 0.697 -2.504 0.000) 2.600 13.432 ( 0.625 -1.713 0.000) 1.824 13.515 ( 2.603 1.264 0.000) 2.894 13.530 ( -1.011 -2.875 0.000) 3.048 13.786 ( -1.812 5.682 0.000) 5.964 20.274 ( -5.159 -1.971 0.000) 5.522 20.376 ( -3.135 -5.990 0.000) 6.761 20.610 ( 2.979 0.744 0.000) 3.071 20.936 ( -0.435 3.073 0.000) 3.104 20.939 ( -2.997 -9.313 0.000) 9.784 21.393 ( -3.101 1.906 0.000) 3.640 21.483 ( 5.350 13.655 0.000) 14.665 21.636 ( 1.019 1.000 0.000) 1.428 21.670 ( 4.731 7.419 0.000) 8.799 21.859 ( -1.820 -2.958 0.000) 3.473 22.369 ( -1.094 -1.209 0.000) 1.630 22.906 ( -0.364 -1.045 0.000) 1.106 24.701 ( -2.347 -7.353 0.000) 7.718 24.777 ( 1.835 -1.660 0.000) 2.474 25.135 ( 1.678 -2.019 0.000) 2.625 25.274 ( 0.215 2.382 0.000) 2.392 25.475 ( 1.032 -0.430 0.000) 1.118 25.588 ( -0.651 4.707 0.000) 4.752 25.716 ( 1.399 1.561 0.000) 2.096 26.693 ( -0.768 -0.003 0.000) 0.768 26.739 ( -1.148 -1.231 0.000) 1.683 26.923 ( 0.781 -1.529 0.000) 1.717 27.228 ( -0.965 1.700 0.000) 1.954 27.401 ( -0.699 0.002 0.000) 0.699 38.252 ( 0.644 -0.089 0.000) 0.650 38.318 ( 0.610 -1.541 0.000) 1.658 38.374 ( 0.518 1.483 0.000) 1.571 38.473 ( -1.125 -0.178 0.000) 1.139 38.780 ( 0.237 -0.043 0.000) 0.241 38.853 ( 0.223 -0.168 0.000) 0.279 51.616 ( 0.019 2.814 0.000) 2.814 52.466 ( -1.793 -5.345 0.000) 5.638 52.690 ( -6.050 -2.958 0.000) 6.735 53.227 ( 1.510 -3.668 0.000) 3.967 53.419 ( -0.788 4.307 0.000) 4.378 53.829 ( 3.673 4.615 0.000) 5.898 54.145 ( 0.768 2.715 0.000) 2.821 54.175 ( -2.333 -6.022 0.000) 6.458 54.497 ( 1.903 7.592 0.000) 7.826 54.602 ( -0.138 -0.434 0.000) 0.455 55.845 ( 2.342 -10.717 0.000) 10.970 56.152 ( -3.518 9.052 0.000) 9.712 58.059 ( 0.510 0.140 0.000) 0.529 58.127 ( 2.818 1.606 0.000) 3.243 58.308 ( -0.197 -2.032 0.000) 2.041 58.471 ( -2.723 -0.012 0.000) 2.723 60.164 ( -0.022 0.102 0.000) 0.104 60.186 ( -0.303 -0.219 0.000) 0.374 ======================= Grid point 17 (12/124) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.584 ( -14.121 -20.658 0.000) 25.023 3.750 ( 7.964 -1.594 0.000) 8.122 4.016 ( -2.388 35.262 0.000) 35.342 4.341 ( -22.757 18.674 0.000) 29.438 4.474 ( 0.642 -3.928 0.000) 3.980 4.701 ( -3.791 1.315 0.000) 4.013 4.912 ( 3.118 -2.564 0.000) 4.037 5.474 ( -20.231 -14.749 0.000) 25.037 5.518 ( 1.301 9.392 0.000) 9.482 5.875 ( 25.496 -3.669 0.000) 25.759 6.246 ( 11.128 -5.872 0.000) 12.582 6.495 ( -8.809 8.200 0.000) 12.034 6.565 ( 12.112 -3.752 0.000) 12.680 6.767 ( 3.035 -7.134 0.000) 7.752 6.834 ( 9.179 -5.573 0.000) 10.738 6.921 ( -7.758 -2.061 0.000) 8.028 7.276 ( -0.736 4.947 0.000) 5.002 7.350 ( 1.956 3.941 0.000) 4.399 7.457 ( 3.140 2.551 0.000) 4.046 7.902 ( -1.825 0.363 0.000) 1.860 8.021 ( -16.509 10.892 0.000) 19.779 8.737 ( 11.461 -22.516 0.000) 25.265 8.885 ( -9.370 2.927 0.000) 9.817 9.230 ( 2.224 -9.302 0.000) 9.565 9.441 ( 5.188 2.975 0.000) 5.981 9.549 ( -10.166 7.297 0.000) 12.514 9.758 ( 6.982 -3.865 0.000) 7.980 10.417 ( -5.258 2.937 0.000) 6.023 10.508 ( -7.727 -0.246 0.000) 7.731 10.713 ( -1.504 8.310 0.000) 8.445 10.941 ( 4.065 10.702 0.000) 11.447 11.384 ( 14.957 -13.777 0.000) 20.335 11.482 ( -0.299 3.316 0.000) 3.330 11.698 ( 0.623 -2.054 0.000) 2.147 11.716 ( 1.214 -0.803 0.000) 1.456 11.885 ( -2.326 -0.715 0.000) 2.434 12.047 ( -2.388 -2.748 0.000) 3.641 12.862 ( 4.957 -2.460 0.000) 5.534 13.455 ( 0.028 -0.606 0.000) 0.607 13.487 ( -6.978 2.628 0.000) 7.457 13.499 ( 1.760 3.142 0.000) 3.601 13.750 ( 0.507 -1.988 0.000) 2.051 20.295 ( -1.756 -4.286 0.000) 4.632 20.440 ( -1.422 -3.897 0.000) 4.149 20.636 ( 4.637 0.598 0.000) 4.675 20.902 ( 0.206 0.512 0.000) 0.552 21.099 ( -2.360 -12.417 0.000) 12.640 21.310 ( 5.500 12.473 0.000) 13.632 21.326 ( -5.560 0.749 0.000) 5.610 21.596 ( 0.793 4.122 0.000) 4.198 21.610 ( -1.167 1.860 0.000) 2.196 21.905 ( 0.717 -2.477 0.000) 2.579 22.378 ( -0.589 -0.764 0.000) 0.965 22.927 ( 0.903 -1.074 0.000) 1.403 24.777 ( -0.386 -2.577 0.000) 2.606 24.784 ( 0.086 2.038 0.000) 2.040 25.150 ( 0.661 2.305 0.000) 2.398 25.243 ( -0.485 -0.521 0.000) 0.712 25.499 ( -0.669 4.575 0.000) 4.623 25.520 ( 0.388 -3.631 0.000) 3.652 25.685 ( -0.762 2.116 0.000) 2.249 26.706 ( 0.668 -1.372 0.000) 1.526 26.753 ( -0.293 -1.150 0.000) 1.186 26.914 ( -1.529 1.974 0.000) 2.497 27.243 ( 2.223 -2.515 0.000) 3.356 27.397 ( -0.670 -0.408 0.000) 0.785 38.244 ( -0.522 1.050 0.000) 1.172 38.334 ( 0.406 1.153 0.000) 1.222 38.357 ( 0.078 -0.224 0.000) 0.237 38.485 ( 0.288 -1.387 0.000) 1.417 38.778 ( -0.073 0.324 0.000) 0.332 38.853 ( 0.014 0.249 0.000) 0.249 51.595 ( 0.411 -0.281 0.000) 0.497 52.537 ( 1.306 -3.418 0.000) 3.659 52.717 ( -2.883 -5.159 0.000) 5.911 53.253 ( -0.415 2.667 0.000) 2.699 53.384 ( 0.498 -1.906 0.000) 1.970 53.802 ( 3.288 2.617 0.000) 4.203 54.083 ( -3.058 3.021 0.000) 4.298 54.264 ( -0.727 -5.559 0.000) 5.607 54.397 ( 0.724 5.075 0.000) 5.126 54.618 ( 0.956 -0.825 0.000) 1.263 55.944 ( -1.828 8.487 0.000) 8.682 56.072 ( 1.765 -9.788 0.000) 9.945 58.053 ( -0.328 0.597 0.000) 0.682 58.118 ( 2.158 2.232 0.000) 3.105 58.308 ( -1.751 0.641 0.000) 1.865 58.490 ( 0.264 -3.234 0.000) 3.245 60.162 ( -0.156 0.079 0.000) 0.175 60.189 ( -0.082 -0.322 0.000) 0.332 ======================= Grid point 18 (13/124) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( -8.862 40.154 0.000) 41.121 3.614 ( -17.038 28.102 0.000) 32.864 3.770 ( -14.897 -17.572 0.000) 23.037 3.873 ( -0.449 2.216 0.000) 2.261 4.527 ( 1.329 2.533 0.000) 2.860 4.671 ( 4.024 5.084 0.000) 6.484 5.083 ( 5.496 -14.370 0.000) 15.386 5.207 ( -10.969 22.502 0.000) 25.033 5.579 ( -13.192 -13.621 0.000) 18.962 6.046 ( 10.256 13.436 0.000) 16.902 6.274 ( 3.444 -0.014 0.000) 3.444 6.471 ( 12.753 -1.503 0.000) 12.841 6.713 ( 0.213 -11.011 0.000) 11.013 6.773 ( -7.386 5.291 0.000) 9.086 6.983 ( 6.272 -6.701 0.000) 9.178 7.064 ( 20.119 -0.655 0.000) 20.129 7.182 ( -3.661 -1.648 0.000) 4.015 7.445 ( 3.153 2.378 0.000) 3.950 7.481 ( 1.191 -17.288 0.000) 17.329 7.746 ( -10.647 5.830 0.000) 12.139 7.890 ( -2.694 -1.625 0.000) 3.145 8.737 ( -6.274 4.401 0.000) 7.664 9.259 ( 11.726 -21.239 0.000) 24.261 9.274 ( -16.685 1.175 0.000) 16.726 9.435 ( 6.127 -3.255 0.000) 6.938 9.480 ( 5.199 -1.702 0.000) 5.470 10.038 ( 7.084 -18.325 0.000) 19.646 10.171 ( -5.586 14.738 0.000) 15.761 10.350 ( -9.820 8.024 0.000) 12.681 10.459 ( -0.843 18.730 0.000) 18.749 10.864 ( 3.195 5.385 0.000) 6.262 11.356 ( -2.176 9.094 0.000) 9.351 11.743 ( 1.476 -1.390 0.000) 2.028 11.759 ( 1.902 -2.253 0.000) 2.949 11.818 ( 9.948 -19.423 0.000) 21.822 11.913 ( -1.586 -4.760 0.000) 5.017 12.071 ( -1.177 -2.295 0.000) 2.580 12.956 ( 7.869 -0.220 0.000) 7.872 13.329 ( -9.642 5.016 0.000) 10.868 13.435 ( -0.065 3.795 0.000) 3.796 13.464 ( 0.580 1.089 0.000) 1.234 13.857 ( 1.076 -9.475 0.000) 9.535 20.376 ( 0.332 -5.349 0.000) 5.360 20.480 ( -0.430 -1.932 0.000) 1.980 20.676 ( 8.645 2.624 0.000) 9.034 20.930 ( -0.892 -4.193 0.000) 4.286 21.160 ( 5.676 10.956 0.000) 12.339 21.255 ( -9.960 -1.082 0.000) 10.018 21.322 ( -1.683 -15.020 0.000) 15.114 21.547 ( 0.081 2.001 0.000) 2.003 21.552 ( -2.792 2.475 0.000) 3.731 21.949 ( 1.668 -1.110 0.000) 2.004 22.383 ( -0.263 -0.300 0.000) 0.399 22.955 ( 1.483 -0.621 0.000) 1.607 24.713 ( -1.037 5.366 0.000) 5.466 24.788 ( 1.518 1.138 0.000) 1.897 25.087 ( -0.757 4.055 0.000) 4.125 25.270 ( 0.452 -1.339 0.000) 1.413 25.422 ( -1.497 2.977 0.000) 3.332 25.600 ( 0.086 -5.012 0.000) 5.013 25.628 ( -2.109 3.040 0.000) 3.700 26.746 ( 1.348 -1.946 0.000) 2.367 26.772 ( 0.454 -0.987 0.000) 1.086 26.853 ( -1.581 2.450 0.000) 2.915 27.327 ( 2.857 -3.436 0.000) 4.468 27.404 ( -0.754 -1.270 0.000) 1.477 38.216 ( -0.796 1.057 0.000) 1.323 38.308 ( 0.049 1.660 0.000) 1.661 38.357 ( -0.232 0.637 0.000) 0.677 38.521 ( 0.886 -1.894 0.000) 2.091 38.768 ( -0.244 0.596 0.000) 0.644 38.845 ( -0.118 0.608 0.000) 0.619 51.633 ( 0.665 -3.421 0.000) 3.485 52.615 ( 5.427 -1.809 0.000) 5.721 52.801 ( -1.871 -7.018 0.000) 7.264 53.172 ( -0.900 4.819 0.000) 4.902 53.452 ( 0.574 -4.074 0.000) 4.114 53.798 ( 2.659 1.808 0.000) 3.216 53.989 ( -5.839 2.209 0.000) 6.242 54.273 ( 2.061 5.311 0.000) 5.697 54.415 ( -1.805 -7.755 0.000) 7.963 54.645 ( 1.207 -0.863 0.000) 1.484 55.760 ( -1.389 9.938 0.000) 10.035 56.278 ( 2.035 -10.687 0.000) 10.879 58.036 ( -0.772 0.572 0.000) 0.961 58.096 ( 1.147 2.109 0.000) 2.401 58.269 ( -1.601 1.770 0.000) 2.387 58.562 ( 1.466 -3.610 0.000) 3.896 60.159 ( -0.208 -0.004 0.000) 0.208 60.194 ( 0.085 -0.237 0.000) 0.252 ======================= Grid point 19 (14/124) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -9.706 44.428 0.000) 45.476 2.834 ( -14.161 40.682 0.000) 43.076 3.917 ( -8.060 -13.624 0.000) 15.830 3.938 ( 3.311 -5.893 0.000) 6.760 4.077 ( -5.815 60.962 0.000) 61.238 4.445 ( -4.541 3.795 0.000) 5.918 5.023 ( -4.916 -9.880 0.000) 11.036 5.407 ( 11.721 -6.880 0.000) 13.591 5.666 ( -9.886 -13.236 0.000) 16.521 5.864 ( 1.399 8.385 0.000) 8.501 6.372 ( 6.869 0.930 0.000) 6.931 6.419 ( 2.767 13.537 0.000) 13.817 6.584 ( -5.355 7.464 0.000) 9.186 7.044 ( 2.858 -21.323 0.000) 21.514 7.176 ( 3.400 -11.109 0.000) 11.618 7.250 ( 14.888 0.557 0.000) 14.899 7.280 ( 7.785 -1.082 0.000) 7.860 7.420 ( -3.265 -0.835 0.000) 3.370 7.642 ( -5.847 -5.669 0.000) 8.144 7.769 ( -6.874 -10.828 0.000) 12.826 8.000 ( 3.578 -17.444 0.000) 17.808 8.623 ( -3.687 2.908 0.000) 4.696 9.160 ( -8.700 -5.441 0.000) 10.262 9.419 ( 11.029 9.586 0.000) 14.613 9.536 ( 3.276 -0.336 0.000) 3.293 9.801 ( 3.426 -20.676 0.000) 20.958 9.907 ( 0.475 10.705 0.000) 10.716 10.052 ( -12.049 10.703 0.000) 16.116 10.056 ( -3.477 24.001 0.000) 24.252 10.469 ( 4.653 -22.661 0.000) 23.133 10.796 ( 2.125 5.612 0.000) 6.001 11.145 ( -2.463 12.246 0.000) 12.491 11.770 ( 2.344 0.383 0.000) 2.375 11.824 ( -0.160 -3.991 0.000) 3.994 12.001 ( -0.283 -5.823 0.000) 5.830 12.109 ( 0.446 -2.480 0.000) 2.520 12.181 ( 3.564 -13.335 0.000) 13.803 12.943 ( 0.088 9.397 0.000) 9.397 13.235 ( -1.112 -4.695 0.000) 4.824 13.358 ( -0.154 4.352 0.000) 4.355 13.449 ( 0.029 1.279 0.000) 1.279 14.083 ( 1.134 -14.569 0.000) 14.613 20.471 ( 0.516 -4.808 0.000) 4.836 20.505 ( -0.099 -1.446 0.000) 1.449 20.721 ( 14.453 5.034 0.000) 15.305 21.014 ( -5.683 -8.109 0.000) 9.903 21.038 ( 3.841 8.662 0.000) 9.475 21.160 ( -12.086 -1.279 0.000) 12.153 21.467 ( -2.324 2.875 0.000) 3.697 21.526 ( 0.438 0.910 0.000) 1.010 21.585 ( -0.683 -15.084 0.000) 15.100 21.971 ( 1.230 0.315 0.000) 1.270 22.385 ( -0.078 -0.206 0.000) 0.221 22.970 ( 1.050 0.604 0.000) 1.211 24.593 ( -1.097 6.756 0.000) 6.844 24.796 ( 2.944 -0.045 0.000) 2.945 25.010 ( -0.812 3.688 0.000) 3.776 25.274 ( 3.370 2.787 0.000) 4.373 25.366 ( -4.550 0.483 0.000) 4.576 25.535 ( -2.050 5.137 0.000) 5.531 25.683 ( 0.116 -4.218 0.000) 4.219 26.793 ( 1.028 -0.472 0.000) 1.131 26.795 ( 0.798 -2.231 0.000) 2.369 26.815 ( -1.121 0.201 0.000) 1.139 27.391 ( 1.133 -1.380 0.000) 1.786 27.437 ( 0.161 -2.959 0.000) 2.964 38.198 ( -0.425 0.294 0.000) 0.517 38.282 ( 0.119 1.490 0.000) 1.495 38.331 ( -0.539 1.792 0.000) 1.872 38.560 ( 0.612 -1.598 0.000) 1.711 38.755 ( -0.206 0.641 0.000) 0.673 38.831 ( -0.122 0.795 0.000) 0.805 51.719 ( 0.599 -5.478 0.000) 5.510 52.712 ( 10.429 -0.399 0.000) 10.437 52.911 ( -4.302 -8.861 0.000) 9.850 53.085 ( -0.548 4.198 0.000) 4.233 53.522 ( 0.192 -3.582 0.000) 3.587 53.750 ( -1.790 5.297 0.000) 5.591 53.934 ( -3.304 -2.228 0.000) 3.985 54.195 ( 0.973 4.927 0.000) 5.022 54.554 ( -0.720 -9.250 0.000) 9.278 54.666 ( 0.780 -0.337 0.000) 0.850 55.578 ( -0.609 10.027 0.000) 10.046 56.471 ( 1.299 -9.531 0.000) 9.619 58.024 ( -0.556 0.047 0.000) 0.558 58.072 ( 0.263 1.471 0.000) 1.494 58.218 ( -0.845 2.729 0.000) 2.856 58.633 ( 1.232 -2.838 0.000) 3.094 60.158 ( -0.144 -0.136 0.000) 0.198 60.197 ( 0.094 0.045 0.000) 0.104 ======================= Grid point 20 (15/124) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -0.000 46.929 0.000) 46.929 1.966 ( -0.000 50.711 0.000) 50.711 2.823 ( -0.000 76.354 0.000) 76.354 4.105 ( 0.000 -13.083 0.000) 13.083 4.140 ( 0.000 -14.923 0.000) 14.923 4.340 ( -0.000 4.301 0.000) 4.301 5.071 ( -0.000 4.672 0.000) 4.672 5.416 ( -0.000 8.139 0.000) 8.139 5.873 ( 0.000 -8.892 0.000) 8.892 5.884 ( 0.000 -6.291 0.000) 6.291 6.179 ( -0.000 7.501 0.000) 7.501 6.342 ( -0.000 4.092 0.000) 4.092 6.460 ( -0.000 4.739 0.000) 4.739 7.227 ( -0.000 5.055 0.000) 5.055 7.234 ( -0.000 9.563 0.000) 9.563 7.411 ( 0.000 -0.023 0.000) 0.023 7.438 ( 0.000 -21.085 0.000) 21.085 7.483 ( 0.000 -15.845 0.000) 15.845 7.844 ( 0.000 -4.622 0.000) 4.622 7.846 ( 0.000 -18.842 0.000) 18.842 8.444 ( 0.000 -28.227 0.000) 28.227 8.572 ( -0.000 1.211 0.000) 1.211 9.285 ( 0.000 -11.848 0.000) 11.848 9.287 ( -0.000 11.729 0.000) 11.729 9.470 ( -0.000 8.300 0.000) 8.300 9.616 ( -0.000 23.710 0.000) 23.710 9.623 ( -0.000 21.470 0.000) 21.470 9.846 ( 0.000 -0.452 0.000) 0.452 10.246 ( 0.000 -20.489 0.000) 20.489 10.716 ( -0.000 4.734 0.000) 4.734 10.868 ( 0.000 -19.570 0.000) 19.570 10.894 ( -0.000 14.855 0.000) 14.855 11.772 ( -0.000 0.674 0.000) 0.674 11.891 ( 0.000 -3.624 0.000) 3.624 12.091 ( 0.000 -4.513 0.000) 4.513 12.152 ( 0.000 -1.679 0.000) 1.679 12.337 ( 0.000 -3.550 0.000) 3.550 12.734 ( -0.000 11.314 0.000) 11.314 13.297 ( -0.000 2.277 0.000) 2.277 13.392 ( 0.000 -10.453 0.000) 10.453 13.419 ( -0.000 2.104 0.000) 2.104 14.349 ( 0.000 -14.485 0.000) 14.485 20.532 ( 0.000 -1.642 0.000) 1.642 20.545 ( 0.000 -3.445 0.000) 3.445 20.765 ( -0.000 4.243 0.000) 4.243 20.931 ( -0.000 6.158 0.000) 6.158 21.004 ( 0.000 -2.036 0.000) 2.036 21.177 ( 0.000 -6.386 0.000) 6.386 21.398 ( -0.000 2.976 0.000) 2.976 21.512 ( -0.000 1.364 0.000) 1.364 21.832 ( 0.000 -12.938 0.000) 12.938 21.963 ( -0.000 1.196 0.000) 1.196 22.389 ( 0.000 -0.271 0.000) 0.271 22.952 ( -0.000 1.939 0.000) 1.939 24.474 ( -0.000 5.945 0.000) 5.945 24.848 ( 0.000 -3.338 0.000) 3.338 24.950 ( -0.000 2.700 0.000) 2.700 25.276 ( -0.000 2.476 0.000) 2.476 25.281 ( -0.000 3.067 0.000) 3.067 25.423 ( -0.000 6.153 0.000) 6.153 25.743 ( 0.000 -2.565 0.000) 2.565 26.808 ( 0.000 -0.770 0.000) 0.770 26.820 ( 0.000 -0.936 0.000) 0.936 26.835 ( 0.000 -1.978 0.000) 1.978 27.415 ( 0.000 -1.071 0.000) 1.071 27.484 ( 0.000 -2.031 0.000) 2.031 38.197 ( 0.000 -0.407 0.000) 0.407 38.260 ( -0.000 1.210 0.000) 1.210 38.293 ( -0.000 2.016 0.000) 2.016 38.585 ( 0.000 -0.951 0.000) 0.951 38.744 ( -0.000 0.479 0.000) 0.479 38.817 ( -0.000 0.742 0.000) 0.742 51.820 ( 0.000 -5.487 0.000) 5.487 52.810 ( 0.000 -0.918 0.000) 0.918 53.020 ( -0.000 3.003 0.000) 3.003 53.025 ( 0.000 -9.032 0.000) 9.032 53.577 ( 0.000 -2.595 0.000) 2.595 53.610 ( -0.000 7.723 0.000) 7.723 53.980 ( 0.000 -4.101 0.000) 4.101 54.127 ( -0.000 3.503 0.000) 3.503 54.669 ( -0.000 0.479 0.000) 0.479 54.714 ( 0.000 -9.678 0.000) 9.678 55.402 ( -0.000 10.052 0.000) 10.052 56.624 ( 0.000 -7.249 0.000) 7.249 58.024 ( 0.000 -0.387 0.000) 0.387 58.053 ( -0.000 0.793 0.000) 0.793 58.162 ( -0.000 3.034 0.000) 3.034 58.680 ( 0.000 -1.832 0.000) 1.832 60.161 ( 0.000 -0.268 0.000) 0.268 60.194 ( -0.000 0.330 0.000) 0.330 ======================= Grid point 23 (16/124) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 44.212 -0.000 0.000) 44.212 1.994 ( 39.436 -0.000 0.000) 39.436 3.083 ( 65.077 -0.000 0.000) 65.077 3.920 ( -24.261 0.000 0.000) 24.261 4.658 ( -11.099 0.000 0.000) 11.099 4.830 ( 3.480 -0.000 0.000) 3.480 5.063 ( 20.727 -0.000 0.000) 20.727 5.298 ( 24.332 -0.000 0.000) 24.332 5.958 ( -38.837 0.000 0.000) 38.837 5.970 ( 11.322 -0.000 0.000) 11.322 5.984 ( -0.084 0.000 0.000) 0.084 6.142 ( -15.198 0.000 0.000) 15.198 6.256 ( -10.441 0.000 0.000) 10.441 6.267 ( 1.103 -0.000 0.000) 1.103 7.125 ( -6.362 0.000 0.000) 6.362 7.255 ( -0.846 0.000 0.000) 0.846 7.430 ( -0.898 0.000 0.000) 0.898 7.766 ( -0.977 0.000 0.000) 0.977 8.043 ( -0.552 0.000 0.000) 0.552 8.405 ( 0.259 -0.000 0.000) 0.259 8.518 ( -4.194 0.000 0.000) 4.194 8.795 ( -8.228 0.000 0.000) 8.228 9.069 ( 1.483 -0.000 0.000) 1.483 9.093 ( -16.747 0.000 0.000) 16.747 9.382 ( -2.824 0.000 0.000) 2.824 9.541 ( 2.822 -0.000 0.000) 2.822 9.850 ( 15.651 -0.000 0.000) 15.651 9.976 ( 18.771 -0.000 0.000) 18.771 10.197 ( -10.355 0.000 0.000) 10.355 10.622 ( 12.145 -0.000 0.000) 12.145 10.804 ( -18.964 0.000 0.000) 18.964 10.925 ( 9.217 -0.000 0.000) 9.217 11.611 ( -6.883 0.000 0.000) 6.883 11.805 ( 2.504 -0.000 0.000) 2.504 12.053 ( -3.710 0.000 0.000) 3.710 12.154 ( -3.614 0.000 0.000) 3.614 12.492 ( 9.498 -0.000 0.000) 9.498 12.924 ( 11.616 -0.000 0.000) 11.616 13.070 ( -25.537 0.000 0.000) 25.537 13.317 ( 1.092 -0.000 0.000) 1.092 13.399 ( 3.021 -0.000 0.000) 3.021 14.446 ( -8.439 0.000 0.000) 8.439 20.006 ( -0.266 0.000 0.000) 0.266 20.454 ( -14.184 0.000 0.000) 14.184 20.642 ( 3.174 -0.000 0.000) 3.174 20.689 ( 3.474 -0.000 0.000) 3.474 21.252 ( -6.446 0.000 0.000) 6.446 21.386 ( -0.412 0.000 0.000) 0.412 21.543 ( 6.375 -0.000 0.000) 6.375 21.782 ( -6.394 0.000 0.000) 6.394 22.039 ( -0.095 0.000 0.000) 0.095 22.385 ( -1.683 0.000 0.000) 1.683 22.554 ( 2.517 -0.000 0.000) 2.517 22.848 ( -1.790 0.000 0.000) 1.790 24.049 ( 1.181 -0.000 0.000) 1.181 24.503 ( 6.106 -0.000 0.000) 6.106 24.957 ( 2.673 -0.000 0.000) 2.673 25.097 ( 5.205 -0.000 0.000) 5.205 25.529 ( 9.440 -0.000 0.000) 9.440 25.548 ( 1.192 -0.000 0.000) 1.192 25.748 ( -1.912 0.000 0.000) 1.912 26.734 ( -3.465 0.000 0.000) 3.465 26.876 ( 0.579 -0.000 0.000) 0.579 26.965 ( -3.635 0.000 0.000) 3.635 27.404 ( -1.632 0.000 0.000) 1.632 27.440 ( -3.148 0.000 0.000) 3.148 38.207 ( 0.531 -0.000 0.000) 0.531 38.265 ( 0.620 -0.000 0.000) 0.620 38.270 ( 1.172 -0.000 0.000) 1.172 38.592 ( -0.714 0.000 0.000) 0.714 38.754 ( 0.774 -0.000 0.000) 0.774 38.816 ( 0.659 -0.000 0.000) 0.659 51.924 ( -0.265 0.000 0.000) 0.265 51.937 ( -0.163 0.000 0.000) 0.163 52.887 ( -16.230 0.000 0.000) 16.230 53.010 ( 1.998 -0.000 0.000) 1.998 53.627 ( 0.161 -0.000 0.000) 0.161 54.001 ( -2.826 0.000 0.000) 2.826 54.205 ( 4.944 -0.000 0.000) 4.944 54.236 ( 1.768 -0.000 0.000) 1.768 54.595 ( -2.467 0.000 0.000) 2.467 55.081 ( 0.991 -0.000 0.000) 0.991 55.093 ( 1.813 -0.000 0.000) 1.813 56.635 ( -5.301 0.000 0.000) 5.301 58.074 ( 0.806 -0.000 0.000) 0.806 58.100 ( 0.106 -0.000 0.000) 0.106 58.112 ( 1.860 -0.000 0.000) 1.860 58.632 ( -1.679 0.000 0.000) 1.679 60.173 ( 0.110 -0.000 0.000) 0.110 60.181 ( -0.081 0.000 0.000) 0.081 ======================= Grid point 24 (17/124) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 36.820 -15.923 0.000) 40.115 2.567 ( 28.358 -22.810 0.000) 36.393 3.702 ( -20.792 -3.250 0.000) 21.044 3.796 ( 41.741 -16.655 0.000) 44.942 4.558 ( -12.451 -6.565 0.000) 14.076 4.795 ( 1.321 5.524 0.000) 5.680 5.306 ( 26.152 -0.457 0.000) 26.156 5.493 ( -15.943 5.762 0.000) 16.952 5.562 ( 0.939 -1.027 0.000) 1.391 5.803 ( -0.707 19.209 0.000) 19.222 6.061 ( -5.317 -0.792 0.000) 5.376 6.074 ( -11.534 -12.919 0.000) 17.319 6.261 ( -0.947 -8.872 0.000) 8.922 6.486 ( 2.890 -14.066 0.000) 14.360 6.991 ( -1.918 9.928 0.000) 10.111 7.226 ( -1.729 0.446 0.000) 1.785 7.438 ( 2.006 -0.580 0.000) 2.088 7.622 ( -2.628 17.283 0.000) 17.481 7.959 ( -2.854 2.216 0.000) 3.614 8.248 ( -1.605 13.341 0.000) 13.437 8.611 ( -8.519 -12.768 0.000) 15.349 8.792 ( -4.926 -2.169 0.000) 5.382 8.803 ( 1.113 14.092 0.000) 14.135 9.005 ( -12.015 7.459 0.000) 14.142 9.443 ( 10.416 -8.634 0.000) 13.530 9.666 ( -2.413 -8.900 0.000) 9.222 9.933 ( 1.514 1.303 0.000) 1.998 10.001 ( 16.318 0.685 0.000) 16.332 10.300 ( -6.257 -4.581 0.000) 7.754 10.554 ( -15.330 6.562 0.000) 16.675 10.796 ( 15.838 -2.818 0.000) 16.087 11.066 ( 8.322 -5.747 0.000) 10.114 11.559 ( -7.599 -2.439 0.000) 7.981 11.816 ( 1.813 1.216 0.000) 2.183 12.008 ( -3.308 1.225 0.000) 3.527 12.095 ( -3.584 2.314 0.000) 4.266 12.521 ( 1.404 8.774 0.000) 8.886 12.754 ( -16.943 2.773 0.000) 17.168 13.114 ( 6.453 -7.738 0.000) 10.076 13.332 ( 2.081 -0.315 0.000) 2.105 13.450 ( 3.058 -1.766 0.000) 3.532 14.302 ( -8.397 6.347 0.000) 10.526 20.051 ( -1.218 -5.094 0.000) 5.238 20.316 ( -14.141 -0.590 0.000) 14.154 20.663 ( 3.219 1.371 0.000) 3.499 20.728 ( 3.004 -0.524 0.000) 3.049 21.151 ( -6.035 3.239 0.000) 6.849 21.406 ( -1.019 -2.166 0.000) 2.394 21.608 ( 5.346 -0.485 0.000) 5.368 21.726 ( -6.304 -1.095 0.000) 6.398 22.003 ( 1.846 4.904 0.000) 5.240 22.355 ( -2.651 0.668 0.000) 2.734 22.399 ( 7.275 17.637 0.000) 19.078 22.844 ( -1.703 -1.374 0.000) 2.188 24.195 ( -3.279 -12.639 0.000) 13.057 24.584 ( 6.026 -2.045 0.000) 6.363 24.993 ( 2.908 -0.932 0.000) 3.054 25.177 ( 5.719 -2.596 0.000) 6.281 25.556 ( 1.164 0.554 0.000) 1.289 25.639 ( 8.436 -1.834 0.000) 8.633 25.722 ( -2.339 0.529 0.000) 2.399 26.703 ( -3.395 -0.524 0.000) 3.436 26.874 ( 0.595 0.669 0.000) 0.896 26.883 ( -3.139 4.616 0.000) 5.583 27.374 ( -2.582 1.222 0.000) 2.857 27.412 ( -2.314 -0.124 0.000) 2.317 38.223 ( 0.744 -0.918 0.000) 1.181 38.245 ( 1.021 1.047 0.000) 1.463 38.321 ( 0.737 -2.572 0.000) 2.675 38.569 ( -0.883 1.588 0.000) 1.816 38.763 ( 0.776 -0.172 0.000) 0.794 38.826 ( 0.656 -0.364 0.000) 0.751 51.858 ( -0.360 4.140 0.000) 4.155 52.047 ( -1.831 -9.018 0.000) 9.202 52.728 ( -15.250 -0.209 0.000) 15.251 53.044 ( 2.186 -1.506 0.000) 2.654 53.613 ( 0.063 1.746 0.000) 1.747 53.988 ( -3.026 -1.814 0.000) 3.528 54.165 ( 3.039 7.284 0.000) 7.892 54.256 ( 4.689 1.670 0.000) 4.977 54.579 ( -2.488 -0.988 0.000) 2.677 54.933 ( 1.561 9.559 0.000) 9.685 55.276 ( 1.554 -10.218 0.000) 10.335 56.551 ( -5.435 3.311 0.000) 6.364 58.076 ( 1.115 1.537 0.000) 1.898 58.092 ( 1.010 -1.188 0.000) 1.559 58.165 ( 0.957 -2.551 0.000) 2.725 58.597 ( -2.163 1.875 0.000) 2.863 60.173 ( 0.133 0.181 0.000) 0.224 60.181 ( -0.197 -0.111 0.000) 0.226 ======================= Grid point 25 (18/124) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 19.488 -8.162 0.000) 21.128 3.155 ( 8.065 -18.361 0.000) 20.054 3.741 ( -3.208 -19.395 0.000) 19.659 4.326 ( 1.996 -17.998 0.000) 18.109 4.697 ( -0.933 5.514 0.000) 5.592 4.766 ( 0.172 -23.731 0.000) 23.731 5.117 ( -32.174 1.168 0.000) 32.195 5.478 ( 9.360 20.114 0.000) 22.185 5.626 ( 31.083 -1.301 0.000) 31.110 5.669 ( 12.308 5.712 0.000) 13.569 5.977 ( -9.181 -0.199 0.000) 9.184 6.218 ( -9.206 -16.089 0.000) 18.537 6.410 ( 0.125 -6.470 0.000) 6.471 6.611 ( 0.793 8.704 0.000) 8.740 6.861 ( 1.153 -0.941 0.000) 1.489 7.208 ( -2.821 22.746 0.000) 22.920 7.253 ( 2.729 -3.347 0.000) 4.319 7.462 ( 4.633 2.443 0.000) 5.238 7.927 ( -2.950 0.641 0.000) 3.019 8.044 ( -4.210 4.343 0.000) 6.048 8.406 ( 2.217 21.369 0.000) 21.483 8.699 ( -3.886 6.770 0.000) 7.806 8.761 ( -16.853 -1.170 0.000) 16.894 8.910 ( 5.674 -6.866 0.000) 8.907 9.732 ( -0.556 -6.676 0.000) 6.699 9.820 ( 7.633 -15.836 0.000) 17.579 10.035 ( -6.211 -11.989 0.000) 13.502 10.085 ( -17.375 8.321 0.000) 19.265 10.172 ( 13.755 -4.378 0.000) 14.435 10.347 ( 1.328 13.240 0.000) 13.307 11.004 ( 17.460 -1.602 0.000) 17.533 11.258 ( 6.200 -7.312 0.000) 9.587 11.547 ( -6.583 -4.267 0.000) 7.845 11.810 ( 0.315 0.759 0.000) 0.821 11.947 ( -2.978 1.728 0.000) 3.443 12.017 ( -2.878 2.756 0.000) 3.985 12.143 ( -17.795 18.253 0.000) 25.491 12.714 ( 0.831 -1.297 0.000) 1.540 13.315 ( 4.925 -8.107 0.000) 9.486 13.371 ( 2.355 -1.423 0.000) 2.751 13.510 ( 3.099 -1.430 0.000) 3.413 14.086 ( -6.738 9.116 0.000) 11.336 20.139 ( -1.847 -6.558 0.000) 6.813 20.203 ( -12.410 -1.977 0.000) 12.566 20.662 ( 3.023 2.074 0.000) 3.666 20.766 ( 1.755 -1.297 0.000) 2.182 21.042 ( -4.732 2.844 0.000) 5.521 21.421 ( -1.674 -0.679 0.000) 1.807 21.656 ( 3.483 0.147 0.000) 3.486 21.708 ( -4.730 -3.482 0.000) 5.873 21.909 ( 4.098 9.344 0.000) 10.203 22.165 ( 7.813 17.897 0.000) 19.528 22.324 ( -3.060 -0.658 0.000) 3.129 22.856 ( -1.323 -1.704 0.000) 2.158 24.361 ( -4.519 -11.273 0.000) 12.145 24.682 ( 4.825 -2.827 0.000) 5.592 25.046 ( 2.639 -1.996 0.000) 3.309 25.278 ( 5.016 -2.125 0.000) 5.447 25.543 ( 0.547 2.119 0.000) 2.188 25.688 ( -2.064 0.880 0.000) 2.244 25.736 ( 5.608 -0.772 0.000) 5.661 26.688 ( -2.746 -1.381 0.000) 3.073 26.771 ( -2.360 4.611 0.000) 5.180 26.876 ( 0.954 -0.207 0.000) 0.977 27.315 ( -2.763 2.297 0.000) 3.593 27.398 ( -1.438 -0.283 0.000) 1.465 38.241 ( 1.231 -0.207 0.000) 1.248 38.260 ( 0.812 -1.356 0.000) 1.581 38.367 ( 0.534 -1.980 0.000) 2.050 38.522 ( -1.221 2.508 0.000) 2.790 38.774 ( 0.640 -0.221 0.000) 0.677 38.840 ( 0.539 -0.469 0.000) 0.715 51.772 ( -0.267 5.230 0.000) 5.237 52.188 ( -2.410 -9.539 0.000) 9.839 52.605 ( -12.436 -1.773 0.000) 12.562 53.103 ( 2.108 -2.790 0.000) 3.497 53.567 ( -0.219 3.451 0.000) 3.458 54.004 ( -2.869 -3.550 0.000) 4.564 54.063 ( 3.823 8.016 0.000) 8.880 54.255 ( 3.307 3.075 0.000) 4.516 54.578 ( -1.589 -1.189 0.000) 1.984 54.788 ( 1.677 9.035 0.000) 9.189 55.472 ( 1.659 -10.624 0.000) 10.753 56.420 ( -4.783 5.852 0.000) 7.558 58.072 ( 1.648 0.685 0.000) 1.784 58.134 ( 2.157 -1.653 0.000) 2.718 58.212 ( -0.136 -2.473 0.000) 2.477 58.529 ( -2.967 2.852 0.000) 4.115 60.170 ( 0.043 0.227 0.000) 0.231 60.180 ( -0.295 -0.091 0.000) 0.309 ======================= Grid point 26 (19/124) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -1.507 -5.793 0.000) 5.986 3.430 ( 3.496 -13.184 0.000) 13.640 4.167 ( 1.984 -21.081 0.000) 21.174 4.510 ( -10.048 -7.430 0.000) 12.497 4.628 ( -2.825 -2.351 0.000) 3.675 4.803 ( -26.130 3.558 0.000) 26.371 5.165 ( 20.636 5.876 0.000) 21.456 5.300 ( 2.721 -7.262 0.000) 7.756 5.561 ( -1.822 14.010 0.000) 14.128 5.920 ( 9.830 -2.269 0.000) 10.088 5.949 ( -3.049 -6.697 0.000) 7.358 6.371 ( -0.233 2.128 0.000) 2.141 6.484 ( -1.395 -3.453 0.000) 3.724 6.530 ( 13.958 -8.228 0.000) 16.202 6.859 ( -7.525 0.503 0.000) 7.542 6.903 ( 7.768 13.534 0.000) 15.605 7.367 ( 3.292 -3.407 0.000) 4.738 7.442 ( 6.617 4.233 0.000) 7.855 7.816 ( -1.911 10.292 0.000) 10.468 8.039 ( -8.218 -8.221 0.000) 11.624 8.098 ( 5.265 16.621 0.000) 17.435 8.536 ( -0.631 7.672 0.000) 7.698 8.707 ( -12.625 -9.386 0.000) 15.732 9.030 ( 0.464 -3.134 0.000) 3.168 9.736 ( -6.189 0.331 0.000) 6.198 9.756 ( -7.706 11.036 0.000) 13.460 10.069 ( -0.680 15.589 0.000) 15.604 10.168 ( 8.017 -11.017 0.000) 13.625 10.228 ( -6.561 -12.233 0.000) 13.881 10.463 ( 9.908 -14.391 0.000) 17.472 11.192 ( 17.057 -0.543 0.000) 17.066 11.420 ( 3.747 -5.237 0.000) 6.440 11.576 ( -3.644 -4.969 0.000) 6.161 11.647 ( -13.061 19.996 0.000) 23.884 11.775 ( -0.457 3.190 0.000) 3.223 11.922 ( -2.753 -2.032 0.000) 3.422 11.945 ( -2.372 2.254 0.000) 3.272 12.757 ( 2.023 -2.181 0.000) 2.975 13.417 ( 1.757 -1.403 0.000) 2.249 13.458 ( 0.378 -4.519 0.000) 4.534 13.554 ( 2.829 -0.095 0.000) 2.830 13.880 ( -3.914 7.867 0.000) 8.787 20.148 ( -8.902 -4.067 0.000) 9.787 20.237 ( -1.671 -6.738 0.000) 6.942 20.659 ( 2.976 1.584 0.000) 3.371 20.815 ( 0.343 -3.536 0.000) 3.553 20.965 ( -2.781 1.738 0.000) 3.279 21.390 ( -2.905 1.526 0.000) 3.281 21.666 ( 1.348 1.717 0.000) 2.183 21.753 ( -2.178 -5.368 0.000) 5.793 21.766 ( 4.920 12.062 0.000) 13.027 21.939 ( 5.064 15.542 0.000) 16.347 22.323 ( -2.219 -2.150 0.000) 3.090 22.876 ( -0.534 -1.746 0.000) 1.826 24.510 ( -3.200 -10.689 0.000) 11.157 24.767 ( 3.022 -2.194 0.000) 3.735 25.111 ( 2.097 -2.606 0.000) 3.345 25.323 ( 2.422 1.764 0.000) 2.996 25.506 ( 0.649 2.133 0.000) 2.229 25.643 ( -1.495 2.508 0.000) 2.920 25.767 ( 2.482 1.840 0.000) 3.090 26.695 ( -1.304 1.746 0.000) 2.180 26.695 ( -1.831 -1.984 0.000) 2.699 26.902 ( 0.854 -1.553 0.000) 1.772 27.251 ( -1.526 2.216 0.000) 2.690 27.390 ( -1.012 -0.221 0.000) 1.036 38.260 ( 1.273 -0.172 0.000) 1.285 38.293 ( 0.513 -1.757 0.000) 1.831 38.397 ( 0.785 -0.567 0.000) 0.968 38.467 ( -1.615 1.844 0.000) 2.451 38.782 ( 0.387 -0.077 0.000) 0.394 38.852 ( 0.348 -0.313 0.000) 0.468 51.683 ( 0.013 4.719 0.000) 4.719 52.325 ( -1.350 -8.412 0.000) 8.520 52.549 ( -8.858 -4.114 0.000) 9.767 53.179 ( 1.708 -3.588 0.000) 3.974 53.493 ( -0.489 4.660 0.000) 4.685 53.972 ( 4.011 6.854 0.000) 7.941 54.054 ( -2.302 -5.160 0.000) 5.650 54.214 ( 0.754 4.020 0.000) 4.090 54.588 ( -0.282 -1.069 0.000) 1.106 54.654 ( 1.565 8.414 0.000) 8.559 55.675 ( 1.697 -11.052 0.000) 11.181 56.261 ( -3.628 7.566 0.000) 8.391 58.079 ( 1.759 0.716 0.000) 1.899 58.177 ( 2.973 0.080 0.000) 2.974 58.258 ( -0.348 -3.309 0.000) 3.328 58.449 ( -3.838 1.988 0.000) 4.322 60.167 ( -0.031 0.178 0.000) 0.181 60.179 ( -0.343 -0.143 0.000) 0.371 ======================= Grid point 27 (20/124) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -11.414 -11.711 0.000) 16.354 3.730 ( 9.890 -11.340 0.000) 15.047 4.350 ( -10.918 0.260 0.000) 10.921 4.381 ( -9.142 10.961 0.000) 14.273 4.453 ( -7.716 6.902 0.000) 10.352 4.796 ( -5.985 -19.446 0.000) 20.346 4.989 ( 17.526 23.949 0.000) 29.677 5.224 ( -10.034 14.850 0.000) 17.922 5.631 ( 8.063 -5.010 0.000) 9.493 5.945 ( 3.310 -5.628 0.000) 6.529 6.148 ( 3.682 -13.229 0.000) 13.732 6.425 ( -8.015 -7.732 0.000) 11.136 6.522 ( -3.644 -4.433 0.000) 5.738 6.711 ( -2.131 2.589 0.000) 3.353 6.843 ( 9.617 -2.856 0.000) 10.032 6.910 ( 16.623 0.042 0.000) 16.623 7.355 ( -1.147 2.707 0.000) 2.940 7.519 ( 7.796 -0.580 0.000) 7.818 7.572 ( 1.078 15.317 0.000) 15.355 7.947 ( 2.270 6.419 0.000) 6.809 7.989 ( -15.882 2.440 0.000) 16.068 8.535 ( 4.830 -7.615 0.000) 9.017 8.769 ( -8.546 -7.365 0.000) 11.282 9.067 ( -4.154 -4.990 0.000) 6.493 9.572 ( 2.696 7.561 0.000) 8.027 9.609 ( -5.491 6.845 0.000) 8.775 9.876 ( 6.589 7.125 0.000) 9.705 10.330 ( -11.219 -8.905 0.000) 14.324 10.357 ( 0.677 -5.451 0.000) 5.493 10.728 ( 3.375 -5.715 0.000) 6.637 11.223 ( -2.299 17.485 0.000) 17.636 11.386 ( 13.565 -3.943 0.000) 14.127 11.510 ( 1.636 -1.200 0.000) 2.029 11.645 ( -0.210 -5.111 0.000) 5.115 11.722 ( -0.276 1.743 0.000) 1.765 11.878 ( -1.943 2.096 0.000) 2.858 11.955 ( -2.821 -3.814 0.000) 4.744 12.842 ( 3.852 -4.550 0.000) 5.961 13.449 ( 0.927 -0.699 0.000) 1.161 13.459 ( -5.184 1.612 0.000) 5.429 13.563 ( 1.933 1.904 0.000) 2.713 13.761 ( -0.691 3.000 0.000) 3.079 20.171 ( -4.481 -6.240 0.000) 7.682 20.335 ( -1.136 -6.155 0.000) 6.259 20.672 ( 2.893 0.081 0.000) 2.894 20.907 ( -0.592 -7.496 0.000) 7.520 20.927 ( -0.273 0.947 0.000) 0.985 21.314 ( -4.111 3.119 0.000) 5.160 21.581 ( 4.079 12.103 0.000) 12.772 21.646 ( -0.002 3.477 0.000) 3.477 21.740 ( 2.316 11.040 0.000) 11.280 21.836 ( -0.582 -5.304 0.000) 5.336 22.345 ( -1.122 -2.099 0.000) 2.380 22.906 ( 0.298 -1.894 0.000) 1.917 24.661 ( -1.490 -9.018 0.000) 9.141 24.809 ( 1.213 0.027 0.000) 1.213 25.170 ( 1.714 -1.743 0.000) 2.445 25.272 ( -0.419 4.347 0.000) 4.367 25.495 ( 0.899 0.069 0.000) 0.902 25.572 ( -0.928 4.126 0.000) 4.229 25.732 ( 0.379 3.360 0.000) 3.381 26.685 ( -0.135 -1.139 0.000) 1.147 26.718 ( -0.902 -2.098 0.000) 2.284 26.923 ( -0.466 0.103 0.000) 0.477 27.229 ( 0.759 -0.699 0.000) 1.032 27.385 ( -0.820 -0.181 0.000) 0.839 38.261 ( 0.244 1.042 0.000) 1.070 38.330 ( 0.549 -1.755 0.000) 1.839 38.383 ( 0.349 2.503 0.000) 2.527 38.456 ( -0.615 -1.712 0.000) 1.819 38.783 ( 0.111 0.225 0.000) 0.251 38.857 ( 0.145 0.026 0.000) 0.147 51.619 ( 0.239 2.590 0.000) 2.601 52.450 ( 0.161 -6.775 0.000) 6.777 52.573 ( -5.168 -6.526 0.000) 8.324 53.252 ( 0.917 -2.766 0.000) 2.914 53.407 ( -0.404 4.055 0.000) 4.075 53.909 ( 3.835 4.994 0.000) 6.297 54.131 ( -1.716 4.972 0.000) 5.260 54.137 ( -1.414 -6.585 0.000) 6.735 54.528 ( 1.134 7.735 0.000) 7.818 54.608 ( 0.521 -1.138 0.000) 1.252 55.885 ( 1.610 -11.209 0.000) 11.324 56.091 ( -2.376 8.475 0.000) 8.801 58.074 ( 0.848 1.424 0.000) 1.658 58.189 ( 3.193 2.108 0.000) 3.826 58.291 ( -1.470 -0.345 0.000) 1.510 58.420 ( -2.163 -3.363 0.000) 3.999 60.163 ( -0.084 0.191 0.000) 0.208 60.180 ( -0.237 -0.397 0.000) 0.462 ======================= Grid point 28 (21/124) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( -10.884 -15.090 0.000) 18.606 3.872 ( -2.929 12.483 0.000) 12.822 3.936 ( -5.963 9.552 0.000) 11.260 3.955 ( -1.524 30.772 0.000) 30.810 4.634 ( 13.464 -4.624 0.000) 14.235 4.800 ( 6.357 9.234 0.000) 11.211 4.933 ( -6.202 1.771 0.000) 6.450 5.097 ( -12.045 -23.719 0.000) 26.602 5.545 ( 1.914 18.044 0.000) 18.145 6.226 ( 7.837 -12.755 0.000) 14.971 6.286 ( -9.019 9.193 0.000) 12.878 6.415 ( 4.853 -12.771 0.000) 13.662 6.583 ( -2.267 -5.826 0.000) 6.252 6.798 ( 1.168 -2.951 0.000) 3.173 6.863 ( 0.864 -2.863 0.000) 2.991 7.177 ( 15.049 -8.875 0.000) 17.471 7.224 ( -3.375 10.247 0.000) 10.788 7.363 ( -1.848 6.122 0.000) 6.395 7.566 ( 7.989 3.730 0.000) 8.817 7.756 ( -10.870 6.542 0.000) 12.686 7.885 ( 0.520 2.977 0.000) 3.022 8.748 ( -3.802 1.837 0.000) 4.223 8.857 ( 2.144 -23.944 0.000) 24.040 9.115 ( -8.523 -5.052 0.000) 9.907 9.462 ( 0.068 3.812 0.000) 3.813 9.561 ( 4.231 -1.715 0.000) 4.565 9.933 ( 9.503 -2.364 0.000) 9.793 10.310 ( -10.190 -1.479 0.000) 10.297 10.331 ( -2.468 7.412 0.000) 7.812 10.706 ( 0.117 9.190 0.000) 9.191 11.003 ( 1.781 8.371 0.000) 8.559 11.476 ( -0.194 5.409 0.000) 5.413 11.634 ( 7.677 -11.667 0.000) 13.966 11.711 ( 0.401 -1.361 0.000) 1.419 11.744 ( 1.269 -4.030 0.000) 4.226 11.843 ( -1.391 -0.531 0.000) 1.489 11.996 ( -1.980 -3.773 0.000) 4.261 12.983 ( 5.837 -5.588 0.000) 8.081 13.327 ( -7.159 5.770 0.000) 9.195 13.459 ( 0.227 0.244 0.000) 0.333 13.527 ( 0.847 3.681 0.000) 3.777 13.756 ( 0.141 -2.787 0.000) 2.791 20.263 ( -1.072 -7.121 0.000) 7.201 20.420 ( -0.504 -4.415 0.000) 4.444 20.719 ( 2.634 -2.601 0.000) 3.702 20.921 ( 1.552 0.914 0.000) 1.802 21.070 ( -0.669 -12.137 0.000) 12.155 21.207 ( -4.877 3.785 0.000) 6.173 21.404 ( 3.107 12.082 0.000) 12.475 21.583 ( -1.208 3.260 0.000) 3.477 21.610 ( 0.457 5.588 0.000) 5.606 21.916 ( 0.340 -3.789 0.000) 3.805 22.367 ( -0.402 -1.219 0.000) 1.284 22.944 ( 0.575 -1.778 0.000) 1.869 24.770 ( -0.236 -4.147 0.000) 4.154 24.786 ( 0.046 3.327 0.000) 3.328 25.164 ( 0.519 4.842 0.000) 4.869 25.233 ( -0.398 -2.023 0.000) 2.062 25.488 ( -0.360 4.679 0.000) 4.693 25.526 ( 0.171 -3.125 0.000) 3.130 25.671 ( -0.478 3.481 0.000) 3.514 26.719 ( 0.416 -2.263 0.000) 2.301 26.747 ( -0.187 -1.900 0.000) 1.909 26.888 ( -0.780 2.623 0.000) 2.737 27.285 ( 1.549 -3.824 0.000) 4.126 27.381 ( -0.745 -0.334 0.000) 0.817 38.235 ( -0.282 1.653 0.000) 1.676 38.341 ( 0.221 2.044 0.000) 2.056 38.359 ( 0.038 -0.524 0.000) 0.526 38.490 ( 0.179 -2.225 0.000) 2.232 38.777 ( -0.045 0.531 0.000) 0.533 38.854 ( 0.009 0.402 0.000) 0.402 51.603 ( 0.267 -0.512 0.000) 0.578 52.572 ( 1.858 -6.569 0.000) 6.827 52.655 ( -2.772 -6.817 0.000) 7.359 53.246 ( -0.227 3.901 0.000) 3.908 53.393 ( 0.279 -2.662 0.000) 2.676 53.878 ( 3.566 2.814 0.000) 4.542 54.012 ( -3.446 5.782 0.000) 6.731 54.252 ( -0.382 -7.691 0.000) 7.700 54.409 ( 0.380 6.901 0.000) 6.911 54.635 ( 0.538 -1.229 0.000) 1.341 55.916 ( -0.800 9.307 0.000) 9.341 56.099 ( 0.760 -11.413 0.000) 11.439 58.051 ( -0.026 1.531 0.000) 1.531 58.163 ( 1.880 3.744 0.000) 4.190 58.268 ( -1.777 0.123 0.000) 1.781 58.494 ( 0.140 -5.067 0.000) 5.068 60.159 ( -0.101 0.151 0.000) 0.181 60.187 ( -0.050 -0.522 0.000) 0.524 ======================= Grid point 29 (22/124) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( -0.000 35.298 0.000) 35.298 3.379 ( -0.000 30.583 0.000) 30.583 3.644 ( 0.000 -9.336 0.000) 9.336 3.910 ( -0.000 0.341 0.000) 0.341 4.551 ( -0.000 10.132 0.000) 10.132 4.819 ( 0.000 -6.505 0.000) 6.505 5.002 ( -0.000 44.260 0.000) 44.260 5.205 ( 0.000 -22.282 0.000) 22.282 5.372 ( 0.000 -14.477 0.000) 14.477 6.059 ( -0.000 12.076 0.000) 12.076 6.423 ( 0.000 -3.494 0.000) 3.494 6.606 ( -0.000 4.127 0.000) 4.127 6.674 ( -0.000 7.858 0.000) 7.858 6.707 ( 0.000 -17.916 0.000) 17.916 7.073 ( -0.000 0.644 0.000) 0.644 7.114 ( 0.000 -15.864 0.000) 15.864 7.272 ( 0.000 -3.002 0.000) 3.002 7.520 ( -0.000 9.018 0.000) 9.018 7.521 ( 0.000 -14.308 0.000) 14.308 7.598 ( -0.000 2.036 0.000) 2.036 7.862 ( 0.000 -1.663 0.000) 1.663 8.671 ( -0.000 4.252 0.000) 4.252 9.074 ( -0.000 0.940 0.000) 0.940 9.341 ( 0.000 -29.186 0.000) 29.186 9.496 ( 0.000 -4.609 0.000) 4.609 9.601 ( -0.000 3.456 0.000) 3.456 10.120 ( -0.000 13.465 0.000) 13.465 10.136 ( 0.000 -16.319 0.000) 16.319 10.197 ( -0.000 8.193 0.000) 8.193 10.445 ( -0.000 20.416 0.000) 20.416 10.903 ( -0.000 5.550 0.000) 5.550 11.332 ( -0.000 10.285 0.000) 10.285 11.754 ( 0.000 -3.388 0.000) 3.388 11.787 ( 0.000 -0.216 0.000) 0.216 11.896 ( 0.000 -5.680 0.000) 5.680 11.929 ( 0.000 -17.026 0.000) 17.026 12.051 ( 0.000 -3.718 0.000) 3.718 13.126 ( 0.000 -5.567 0.000) 5.567 13.135 ( -0.000 10.143 0.000) 10.143 13.434 ( -0.000 3.582 0.000) 3.582 13.473 ( -0.000 2.014 0.000) 2.014 13.868 ( 0.000 -10.025 0.000) 10.025 20.377 ( 0.000 -6.271 0.000) 6.271 20.474 ( 0.000 -2.208 0.000) 2.208 20.818 ( 0.000 -6.379 0.000) 6.379 20.901 ( -0.000 2.710 0.000) 2.710 21.116 ( -0.000 2.368 0.000) 2.368 21.218 ( -0.000 9.126 0.000) 9.126 21.314 ( 0.000 -14.023 0.000) 14.023 21.516 ( -0.000 3.540 0.000) 3.540 21.550 ( -0.000 1.999 0.000) 1.999 21.966 ( 0.000 -1.644 0.000) 1.644 22.379 ( 0.000 -0.488 0.000) 0.488 22.972 ( 0.000 -0.903 0.000) 0.903 24.702 ( -0.000 6.014 0.000) 6.014 24.804 ( 0.000 -0.472 0.000) 0.472 25.079 ( -0.000 4.674 0.000) 4.674 25.277 ( 0.000 -2.578 0.000) 2.578 25.404 ( -0.000 4.660 0.000) 4.660 25.601 ( 0.000 -5.009 0.000) 5.009 25.605 ( -0.000 3.937 0.000) 3.937 26.761 ( 0.000 -2.238 0.000) 2.238 26.777 ( 0.000 -1.581 0.000) 1.581 26.836 ( -0.000 2.514 0.000) 2.514 27.369 ( 0.000 -4.374 0.000) 4.374 27.383 ( 0.000 -0.583 0.000) 0.583 38.208 ( -0.000 1.126 0.000) 1.126 38.309 ( -0.000 1.714 0.000) 1.714 38.355 ( -0.000 0.989 0.000) 0.989 38.530 ( 0.000 -2.145 0.000) 2.145 38.765 ( -0.000 0.688 0.000) 0.688 38.844 ( -0.000 0.684 0.000) 0.684 51.641 ( 0.000 -3.603 0.000) 3.603 52.721 ( 0.000 -8.342 0.000) 8.342 52.730 ( 0.000 -4.164 0.000) 4.164 53.162 ( -0.000 4.956 0.000) 4.956 53.457 ( 0.000 -3.977 0.000) 3.977 53.868 ( -0.000 7.257 0.000) 7.257 53.886 ( 0.000 -0.587 0.000) 0.587 54.296 ( -0.000 6.149 0.000) 6.149 54.394 ( 0.000 -8.738 0.000) 8.738 54.658 ( 0.000 -1.006 0.000) 1.006 55.746 ( -0.000 9.797 0.000) 9.797 56.298 ( 0.000 -10.963 0.000) 10.963 58.028 ( -0.000 0.855 0.000) 0.855 58.112 ( -0.000 2.876 0.000) 2.876 58.249 ( -0.000 1.368 0.000) 1.368 58.577 ( 0.000 -4.185 0.000) 4.185 60.157 ( -0.000 0.018 0.000) 0.018 60.195 ( 0.000 -0.323 0.000) 0.323 ======================= Grid point 34 (23/124) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 38.831 -0.000 0.000) 38.831 2.640 ( 25.344 -0.000 0.000) 25.344 3.440 ( -22.033 0.000 0.000) 22.033 4.058 ( 30.483 -0.000 0.000) 30.483 4.273 ( -24.918 0.000 0.000) 24.918 4.824 ( -7.915 0.000 0.000) 7.915 5.184 ( -32.977 0.000 0.000) 32.977 5.647 ( 37.996 -0.000 0.000) 37.996 5.740 ( -21.359 0.000 0.000) 21.359 5.767 ( 20.261 -0.000 0.000) 20.261 5.986 ( -9.088 0.000 0.000) 9.088 6.139 ( 11.971 -0.000 0.000) 11.971 6.214 ( 6.401 -0.000 0.000) 6.401 6.342 ( 7.543 -0.000 0.000) 7.543 7.029 ( -4.469 0.000 0.000) 4.469 7.257 ( 1.366 -0.000 0.000) 1.366 7.408 ( -1.194 0.000 0.000) 1.194 7.774 ( 1.576 -0.000 0.000) 1.576 8.042 ( 1.001 -0.000 0.000) 1.001 8.229 ( -23.175 0.000 0.000) 23.175 8.486 ( 7.963 -0.000 0.000) 7.963 8.635 ( -7.393 0.000 0.000) 7.393 8.876 ( -1.655 0.000 0.000) 1.655 9.147 ( 6.006 -0.000 0.000) 6.006 9.407 ( 1.835 -0.000 0.000) 1.835 9.571 ( 1.274 -0.000 0.000) 1.274 9.876 ( -22.190 0.000 0.000) 22.190 10.155 ( -11.698 0.000 0.000) 11.698 10.158 ( 13.440 -0.000 0.000) 13.440 10.511 ( 1.064 -0.000 0.000) 1.064 10.939 ( 17.105 -0.000 0.000) 17.105 11.107 ( 10.257 -0.000 0.000) 10.257 11.456 ( -8.400 0.000 0.000) 8.400 11.864 ( 3.079 -0.000 0.000) 3.079 11.990 ( -2.434 0.000 0.000) 2.434 12.076 ( -3.923 0.000 0.000) 3.923 12.504 ( -30.029 0.000 0.000) 30.029 12.680 ( 8.444 -0.000 0.000) 8.444 13.131 ( 9.426 -0.000 0.000) 9.426 13.351 ( 2.166 -0.000 0.000) 2.166 13.464 ( 3.210 -0.000 0.000) 3.210 14.267 ( -9.166 0.000 0.000) 9.166 20.009 ( 0.596 -0.000 0.000) 0.596 20.165 ( -14.230 0.000 0.000) 14.230 20.708 ( 3.292 -0.000 0.000) 3.292 20.761 ( 3.577 -0.000 0.000) 3.577 21.109 ( -7.658 0.000 0.000) 7.658 21.382 ( 0.103 -0.000 0.000) 0.103 21.650 ( -6.633 0.000 0.000) 6.633 21.654 ( 4.660 -0.000 0.000) 4.660 22.060 ( 2.069 -0.000 0.000) 2.069 22.336 ( -3.007 0.000 0.000) 3.007 22.603 ( 2.254 -0.000 0.000) 2.254 22.816 ( -1.271 0.000 0.000) 1.271 24.074 ( 1.197 -0.000 0.000) 1.197 24.628 ( 6.090 -0.000 0.000) 6.090 25.017 ( 3.183 -0.000 0.000) 3.183 25.216 ( 6.572 -0.000 0.000) 6.572 25.568 ( 0.702 -0.000 0.000) 0.702 25.697 ( -3.281 0.000 0.000) 3.281 25.707 ( 7.936 -0.000 0.000) 7.936 26.662 ( -3.547 0.000 0.000) 3.547 26.885 ( 0.323 -0.000 0.000) 0.323 26.890 ( -3.678 0.000 0.000) 3.678 27.356 ( -3.091 0.000 0.000) 3.091 27.389 ( -1.710 0.000 0.000) 1.710 38.223 ( 1.020 -0.000 0.000) 1.020 38.279 ( 0.722 -0.000 0.000) 0.722 38.288 ( 0.689 -0.000 0.000) 0.689 38.576 ( -0.770 0.000 0.000) 0.770 38.769 ( 0.748 -0.000 0.000) 0.748 38.830 ( 0.659 -0.000 0.000) 0.659 51.918 ( -0.265 0.000 0.000) 0.265 51.941 ( 0.700 -0.000 0.000) 0.700 52.573 ( -14.758 0.000 0.000) 14.758 53.053 ( 2.214 -0.000 0.000) 2.214 53.630 ( 0.168 -0.000 0.000) 0.168 53.942 ( -2.982 0.000 0.000) 2.982 54.276 ( 2.258 -0.000 0.000) 2.258 54.287 ( 3.284 -0.000 0.000) 3.284 54.540 ( -2.951 0.000 0.000) 2.951 55.101 ( 0.930 -0.000 0.000) 0.930 55.132 ( 1.960 -0.000 0.000) 1.960 56.525 ( -5.370 0.000 0.000) 5.370 58.087 ( 0.549 -0.000 0.000) 0.549 58.102 ( 0.150 -0.000 0.000) 0.150 58.150 ( 1.684 -0.000 0.000) 1.684 58.597 ( -1.721 0.000 0.000) 1.721 60.176 ( 0.099 -0.000 0.000) 0.099 60.179 ( -0.113 0.000 0.000) 0.113 ======================= Grid point 35 (24/124) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 11.276 -12.458 0.000) 16.804 3.032 ( 23.327 -3.089 0.000) 23.531 3.362 ( -10.603 -13.929 0.000) 17.506 4.065 ( -9.036 -7.636 0.000) 11.830 4.433 ( 4.929 -15.142 0.000) 15.924 4.664 ( -24.686 -2.778 0.000) 24.842 4.898 ( -11.079 7.766 0.000) 13.529 5.600 ( -16.719 -7.666 0.000) 18.393 5.875 ( -2.780 1.882 0.000) 3.357 5.934 ( 9.297 2.466 0.000) 9.618 5.964 ( 18.747 13.337 0.000) 23.007 6.145 ( 30.791 -0.481 0.000) 30.795 6.313 ( 1.945 -4.398 0.000) 4.808 6.616 ( 8.422 -9.988 0.000) 13.065 6.919 ( -5.876 6.468 0.000) 8.738 7.267 ( 6.190 0.080 0.000) 6.190 7.459 ( 0.425 -4.911 0.000) 4.929 7.576 ( -2.246 21.335 0.000) 21.453 7.888 ( -3.846 -0.315 0.000) 3.859 8.235 ( 0.333 19.417 0.000) 19.420 8.321 ( -13.310 -13.109 0.000) 18.681 8.757 ( 1.942 -1.690 0.000) 2.575 8.883 ( 5.050 1.086 0.000) 5.166 8.981 ( 5.129 17.852 0.000) 18.574 9.553 ( -4.924 -8.067 0.000) 9.451 9.683 ( 10.135 -11.666 0.000) 15.454 9.688 ( -21.725 -8.949 0.000) 23.496 9.960 ( -24.096 0.639 0.000) 24.104 10.268 ( 9.594 0.309 0.000) 9.599 10.556 ( 8.962 4.704 0.000) 10.122 11.122 ( 11.767 -4.212 0.000) 12.498 11.249 ( 12.758 -2.034 0.000) 12.919 11.399 ( -8.097 -3.229 0.000) 8.717 11.859 ( 2.167 2.983 0.000) 3.688 11.960 ( -1.556 1.462 0.000) 2.135 12.026 ( -3.123 1.594 0.000) 3.506 12.145 ( -25.719 7.701 0.000) 26.847 12.746 ( 5.168 0.705 0.000) 5.216 13.263 ( 7.419 -4.568 0.000) 8.712 13.377 ( 2.313 -0.594 0.000) 2.388 13.510 ( 2.744 -1.642 0.000) 3.197 14.135 ( -8.027 4.885 0.000) 9.397 20.045 ( -12.201 -1.563 0.000) 12.301 20.046 ( 0.445 -3.358 0.000) 3.387 20.726 ( 3.108 1.545 0.000) 3.471 20.789 ( 2.827 0.528 0.000) 2.876 21.020 ( -6.727 1.364 0.000) 6.864 21.397 ( 0.192 -1.036 0.000) 1.054 21.603 ( -5.754 -2.106 0.000) 6.127 21.694 ( 3.248 0.203 0.000) 3.254 22.059 ( 3.571 3.331 0.000) 4.884 22.291 ( -3.643 1.042 0.000) 3.789 22.504 ( 3.666 12.759 0.000) 13.275 22.818 ( -0.902 -1.290 0.000) 1.574 24.159 ( -0.884 -7.794 0.000) 7.844 24.696 ( 4.936 -1.300 0.000) 5.104 25.052 ( 2.789 -0.596 0.000) 2.852 25.301 ( 6.551 -1.810 0.000) 6.796 25.569 ( 0.077 0.705 0.000) 0.709 25.663 ( -3.521 -0.253 0.000) 3.530 25.782 ( 5.681 -0.432 0.000) 5.697 26.638 ( -2.929 -1.015 0.000) 3.100 26.822 ( -2.779 3.648 0.000) 4.586 26.884 ( 0.382 0.290 0.000) 0.479 27.317 ( -2.735 1.096 0.000) 2.946 27.378 ( -1.212 -0.335 0.000) 1.258 38.240 ( 0.864 -0.702 0.000) 1.114 38.268 ( 1.244 0.662 0.000) 1.409 38.328 ( -0.045 -2.412 0.000) 2.413 38.553 ( -0.703 1.784 0.000) 1.918 38.777 ( 0.607 -0.115 0.000) 0.618 38.839 ( 0.533 -0.293 0.000) 0.608 51.855 ( 0.016 4.453 0.000) 4.453 52.034 ( 0.401 -6.878 0.000) 6.889 52.450 ( -12.271 -1.574 0.000) 12.371 53.087 ( 1.963 -1.450 0.000) 2.440 53.614 ( 0.055 1.978 0.000) 1.979 53.930 ( -2.590 -1.874 0.000) 3.197 54.223 ( 2.746 6.422 0.000) 6.985 54.320 ( 1.855 1.246 0.000) 2.234 54.532 ( -2.057 -1.968 0.000) 2.847 54.962 ( 1.273 9.351 0.000) 9.438 55.305 ( 1.333 -10.272 0.000) 10.358 56.450 ( -4.478 2.963 0.000) 5.370 58.099 ( 1.105 0.470 0.000) 1.201 58.111 ( 0.825 -2.111 0.000) 2.266 58.177 ( 0.251 -1.336 0.000) 1.359 58.557 ( -1.709 2.600 0.000) 3.112 60.174 ( -0.055 0.221 0.000) 0.228 60.178 ( -0.041 0.004 0.000) 0.041 ======================= Grid point 36 (25/124) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -2.200 5.282 0.000) 5.722 3.227 ( 2.425 -13.622 0.000) 13.836 3.706 ( -3.207 -26.280 0.000) 26.475 4.311 ( 5.113 -12.783 0.000) 13.767 4.508 ( -21.696 -6.925 0.000) 22.775 4.690 ( -2.245 8.614 0.000) 8.901 4.776 ( -0.549 -26.501 0.000) 26.507 5.662 ( -11.265 -15.068 0.000) 18.814 5.815 ( 16.209 19.184 0.000) 25.115 5.830 ( -3.446 -2.408 0.000) 4.204 5.867 ( 5.083 16.014 0.000) 16.801 6.375 ( -4.284 -4.595 0.000) 6.282 6.461 ( 6.220 3.839 0.000) 7.309 6.702 ( 16.892 1.005 0.000) 16.922 6.823 ( -1.497 0.264 0.000) 1.521 7.250 ( 6.380 16.331 0.000) 17.533 7.375 ( 8.459 -1.601 0.000) 8.609 7.540 ( 2.447 -1.211 0.000) 2.730 7.860 ( -3.818 1.293 0.000) 4.031 7.954 ( -3.227 9.536 0.000) 10.067 8.349 ( -7.362 -4.784 0.000) 8.780 8.637 ( 4.117 21.463 0.000) 21.854 8.683 ( 0.913 8.557 0.000) 8.605 8.988 ( 1.474 -2.615 0.000) 3.002 9.602 ( -7.043 -6.509 0.000) 9.590 9.737 ( -15.200 0.451 0.000) 15.207 9.768 ( -16.114 -18.748 0.000) 24.722 10.078 ( 13.453 -15.360 0.000) 20.419 10.355 ( 3.914 -4.197 0.000) 5.739 10.450 ( 5.435 15.597 0.000) 16.517 11.300 ( 7.532 -4.969 0.000) 9.024 11.398 ( 9.726 -1.638 0.000) 9.863 11.420 ( -5.309 -6.941 0.000) 8.739 11.768 ( -16.019 11.097 0.000) 19.487 11.825 ( 0.842 2.716 0.000) 2.843 11.909 ( -1.011 2.337 0.000) 2.546 11.966 ( -2.024 2.235 0.000) 3.015 12.769 ( 2.888 0.640 0.000) 2.958 13.400 ( 3.406 -4.083 0.000) 5.317 13.414 ( 1.773 -1.109 0.000) 2.091 13.564 ( 2.129 -1.533 0.000) 2.623 13.963 ( -5.209 6.689 0.000) 8.478 19.987 ( -8.454 -3.811 0.000) 9.273 20.124 ( -0.014 -5.199 0.000) 5.199 20.722 ( 2.919 2.204 0.000) 3.658 20.802 ( 1.575 0.176 0.000) 1.585 20.943 ( -4.812 0.555 0.000) 4.844 21.396 ( -0.832 1.242 0.000) 1.495 21.625 ( -3.166 -5.692 0.000) 6.514 21.705 ( 1.521 1.252 0.000) 1.970 21.998 ( 4.318 8.929 0.000) 9.918 22.257 ( -3.339 -1.897 0.000) 3.840 22.278 ( 3.671 17.034 0.000) 17.425 22.839 ( -0.450 -1.875 0.000) 1.928 24.298 ( -1.953 -10.009 0.000) 10.198 24.763 ( 3.072 -1.718 0.000) 3.520 25.094 ( 1.926 -1.578 0.000) 2.490 25.380 ( 5.022 0.398 0.000) 5.038 25.539 ( -0.978 1.609 0.000) 1.883 25.642 ( -2.302 -0.281 0.000) 2.319 25.820 ( 2.804 1.154 0.000) 3.032 26.641 ( -1.859 -2.028 0.000) 2.751 26.731 ( -1.506 3.794 0.000) 4.082 26.890 ( 0.480 -0.605 0.000) 0.772 27.269 ( -1.632 1.706 0.000) 2.361 27.375 ( -0.826 -0.426 0.000) 0.929 38.263 ( 0.782 -1.074 0.000) 1.328 38.280 ( 1.180 -0.279 0.000) 1.213 38.366 ( -0.524 -2.432 0.000) 2.488 38.505 ( -0.554 2.983 0.000) 3.034 38.784 ( 0.380 -0.099 0.000) 0.393 38.849 ( 0.336 -0.365 0.000) 0.496 51.770 ( -0.001 5.212 0.000) 5.212 52.173 ( 0.762 -8.362 0.000) 8.396 52.390 ( -8.875 -3.722 0.000) 9.624 53.140 ( 1.422 -2.657 0.000) 3.014 53.564 ( -0.134 3.781 0.000) 3.783 53.956 ( -1.849 -3.704 0.000) 4.140 54.130 ( 2.758 7.190 0.000) 7.701 54.286 ( 0.188 3.522 0.000) 3.527 54.557 ( -0.494 -2.113 0.000) 2.170 54.816 ( 1.047 8.860 0.000) 8.922 55.500 ( 1.073 -10.836 0.000) 10.889 56.339 ( -3.030 5.350 0.000) 6.148 58.111 ( 2.199 0.324 0.000) 2.223 58.172 ( 1.357 -3.009 0.000) 3.301 58.197 ( -1.185 -2.249 0.000) 2.542 58.478 ( -2.003 4.305 0.000) 4.748 60.169 ( -0.133 0.196 0.000) 0.237 60.177 ( -0.068 0.119 0.000) 0.137 ======================= Grid point 37 (26/124) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -5.985 -0.290 0.000) 5.992 3.565 ( 8.472 -17.934 0.000) 19.834 4.043 ( -12.012 -20.509 0.000) 23.767 4.415 ( -0.716 1.207 0.000) 1.404 4.458 ( -6.014 -1.660 0.000) 6.239 4.566 ( -2.587 2.342 0.000) 3.489 5.345 ( 5.638 -30.868 0.000) 31.379 5.526 ( -0.917 22.477 0.000) 22.496 5.599 ( 7.163 19.989 0.000) 21.233 5.862 ( 6.842 -6.963 0.000) 9.762 5.931 ( -0.032 -11.605 0.000) 11.605 6.219 ( -17.045 4.154 0.000) 17.544 6.408 ( -3.438 -4.141 0.000) 5.383 6.745 ( -2.384 5.229 0.000) 5.747 7.020 ( 22.754 -4.330 0.000) 23.162 7.123 ( 9.104 8.692 0.000) 12.587 7.353 ( -5.470 6.138 0.000) 8.222 7.607 ( 8.889 -2.005 0.000) 9.112 7.754 ( -3.128 6.702 0.000) 7.396 7.837 ( -9.784 -0.583 0.000) 9.801 8.238 ( 7.135 20.154 0.000) 21.380 8.503 ( -7.184 -11.342 0.000) 13.425 8.561 ( 0.960 5.495 0.000) 5.578 8.999 ( -2.532 -0.161 0.000) 2.537 9.624 ( -3.308 -0.896 0.000) 3.428 9.672 ( -0.472 0.102 0.000) 0.483 9.929 ( -8.479 -13.391 0.000) 15.850 10.196 ( 0.713 14.071 0.000) 14.089 10.304 ( 4.169 -2.592 0.000) 4.909 10.585 ( 2.702 -14.772 0.000) 15.017 11.431 ( -2.357 6.956 0.000) 7.345 11.441 ( 2.060 -1.899 0.000) 2.802 11.514 ( 4.194 2.755 0.000) 5.017 11.519 ( -1.645 -7.968 0.000) 8.136 11.770 ( -0.098 3.752 0.000) 3.754 11.889 ( -0.666 -1.090 0.000) 1.277 11.908 ( -1.099 2.555 0.000) 2.781 12.804 ( 1.791 -2.486 0.000) 3.064 13.445 ( 0.815 -0.895 0.000) 1.211 13.446 ( -0.932 0.355 0.000) 0.997 13.596 ( 1.162 -0.000 0.000) 1.162 13.824 ( -1.492 5.128 0.000) 5.341 20.014 ( -3.790 -6.378 0.000) 7.419 20.220 ( -0.245 -6.061 0.000) 6.066 20.711 ( 1.883 1.724 0.000) 2.553 20.826 ( 0.430 -2.202 0.000) 2.244 20.913 ( -1.933 -0.910 0.000) 2.136 21.344 ( -1.377 3.190 0.000) 3.474 21.682 ( 0.355 2.458 0.000) 2.483 21.720 ( -0.882 -6.973 0.000) 7.029 21.843 ( 2.266 12.229 0.000) 12.437 22.008 ( 1.778 16.681 0.000) 16.775 22.285 ( -1.191 -3.348 0.000) 3.553 22.872 ( -0.032 -2.166 0.000) 2.166 24.467 ( -1.107 -11.136 0.000) 11.191 24.811 ( 1.197 -1.128 0.000) 1.645 25.144 ( 0.964 -2.405 0.000) 2.591 25.358 ( 0.941 4.960 0.000) 5.049 25.519 ( 0.645 0.903 0.000) 1.110 25.613 ( -1.208 1.758 0.000) 2.133 25.798 ( 0.735 3.246 0.000) 3.328 26.668 ( -0.773 -2.526 0.000) 2.642 26.678 ( -0.432 0.996 0.000) 1.086 26.911 ( 0.113 -1.102 0.000) 1.108 27.234 ( -0.279 0.950 0.000) 0.990 27.375 ( -0.464 -0.257 0.000) 0.531 38.281 ( 0.729 0.644 0.000) 0.973 38.300 ( 0.148 -1.897 0.000) 1.903 38.405 ( 0.022 -2.320 0.000) 2.320 38.445 ( -0.504 3.122 0.000) 3.163 38.787 ( 0.139 0.077 0.000) 0.159 38.857 ( 0.135 -0.204 0.000) 0.245 51.684 ( 0.073 4.573 0.000) 4.573 52.330 ( 1.884 -7.971 0.000) 8.191 52.404 ( -5.574 -6.325 0.000) 8.430 53.204 ( 0.689 -3.372 0.000) 3.441 53.486 ( -0.185 4.889 0.000) 4.892 54.021 ( -0.894 -5.388 0.000) 5.462 54.036 ( 2.021 6.242 0.000) 6.561 54.209 ( -0.663 5.043 0.000) 5.086 54.588 ( 0.129 -1.619 0.000) 1.624 54.676 ( 0.596 8.345 0.000) 8.366 55.700 ( 0.680 -11.333 0.000) 11.353 56.209 ( -1.432 7.159 0.000) 7.300 58.114 ( 1.416 1.733 0.000) 2.238 58.204 ( -0.383 -1.942 0.000) 1.980 58.276 ( 2.265 -4.303 0.000) 4.863 58.377 ( -3.072 3.977 0.000) 5.025 60.165 ( -0.050 0.123 0.000) 0.133 60.174 ( -0.122 -0.014 0.000) 0.123 ======================= Grid point 38 (27/124) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 0.000 -9.044 0.000) 9.044 3.878 ( 0.000 -9.115 0.000) 9.115 4.120 ( -0.000 7.892 0.000) 7.892 4.305 ( -0.000 11.454 0.000) 11.454 4.557 ( 0.000 -17.570 0.000) 17.570 4.579 ( 0.000 -8.369 0.000) 8.369 5.157 ( -0.000 18.668 0.000) 18.668 5.177 ( -0.000 27.475 0.000) 27.475 5.800 ( -0.000 4.814 0.000) 4.814 5.938 ( 0.000 -18.747 0.000) 18.747 6.187 ( 0.000 -15.752 0.000) 15.752 6.227 ( 0.000 -9.181 0.000) 9.181 6.467 ( 0.000 -5.142 0.000) 5.142 6.678 ( 0.000 -1.602 0.000) 1.602 7.051 ( -0.000 13.471 0.000) 13.471 7.116 ( 0.000 -2.785 0.000) 2.785 7.299 ( 0.000 -2.513 0.000) 2.513 7.563 ( -0.000 13.381 0.000) 13.381 7.701 ( -0.000 3.322 0.000) 3.322 7.736 ( -0.000 0.779 0.000) 0.779 8.000 ( -0.000 10.087 0.000) 10.087 8.575 ( 0.000 -8.476 0.000) 8.476 8.674 ( 0.000 -9.156 0.000) 9.156 8.992 ( 0.000 -2.382 0.000) 2.382 9.557 ( -0.000 5.980 0.000) 5.980 9.607 ( -0.000 5.875 0.000) 5.875 10.026 ( -0.000 4.584 0.000) 4.584 10.126 ( 0.000 -11.214 0.000) 11.214 10.362 ( 0.000 -1.758 0.000) 1.758 10.761 ( 0.000 -3.246 0.000) 3.246 11.197 ( -0.000 12.861 0.000) 12.861 11.516 ( 0.000 -1.043 0.000) 1.043 11.552 ( 0.000 -3.194 0.000) 3.194 11.646 ( 0.000 -7.097 0.000) 7.097 11.718 ( -0.000 1.770 0.000) 1.770 11.858 ( -0.000 2.296 0.000) 2.296 11.924 ( 0.000 -3.112 0.000) 3.112 12.894 ( 0.000 -6.448 0.000) 6.448 13.390 ( -0.000 4.563 0.000) 4.563 13.460 ( 0.000 -0.364 0.000) 0.364 13.583 ( -0.000 2.108 0.000) 2.108 13.755 ( -0.000 2.140 0.000) 2.140 20.123 ( 0.000 -7.881 0.000) 7.881 20.325 ( 0.000 -6.029 0.000) 6.029 20.705 ( 0.000 -0.127 0.000) 0.127 20.902 ( 0.000 -6.808 0.000) 6.808 20.926 ( 0.000 -1.012 0.000) 1.012 21.266 ( -0.000 4.739 0.000) 4.739 21.634 ( -0.000 3.162 0.000) 3.162 21.635 ( -0.000 12.788 0.000) 12.788 21.763 ( -0.000 11.964 0.000) 11.964 21.831 ( 0.000 -6.024 0.000) 6.024 22.332 ( 0.000 -2.496 0.000) 2.496 22.911 ( 0.000 -2.249 0.000) 2.249 24.646 ( 0.000 -9.533 0.000) 9.533 24.821 ( -0.000 0.688 0.000) 0.688 25.191 ( 0.000 -2.334 0.000) 2.334 25.264 ( -0.000 5.793 0.000) 5.793 25.506 ( -0.000 0.508 0.000) 0.508 25.560 ( -0.000 3.635 0.000) 3.635 25.735 ( -0.000 4.025 0.000) 4.025 26.684 ( 0.000 -1.622 0.000) 1.622 26.708 ( 0.000 -2.424 0.000) 2.424 26.916 ( -0.000 0.752 0.000) 0.752 27.240 ( 0.000 -1.806 0.000) 1.806 27.375 ( 0.000 -0.087 0.000) 0.087 38.263 ( -0.000 1.599 0.000) 1.599 38.336 ( 0.000 -1.854 0.000) 1.854 38.387 ( -0.000 2.932 0.000) 2.932 38.450 ( 0.000 -2.464 0.000) 2.464 38.784 ( -0.000 0.332 0.000) 0.332 38.858 ( -0.000 0.099 0.000) 0.099 51.622 ( -0.000 2.487 0.000) 2.487 52.462 ( 0.000 -6.492 0.000) 6.492 52.509 ( 0.000 -8.399 0.000) 8.399 53.261 ( 0.000 -2.293 0.000) 2.293 53.403 ( -0.000 3.840 0.000) 3.840 53.955 ( -0.000 4.391 0.000) 4.391 54.105 ( -0.000 6.275 0.000) 6.275 54.122 ( 0.000 -6.807 0.000) 6.807 54.540 ( -0.000 7.789 0.000) 7.789 54.615 ( 0.000 -1.374 0.000) 1.374 55.902 ( 0.000 -11.627 0.000) 11.627 56.066 ( -0.000 8.484 0.000) 8.484 58.084 ( -0.000 2.161 0.000) 2.161 58.240 ( 0.000 -1.770 0.000) 1.770 58.258 ( -0.000 5.475 0.000) 5.475 58.396 ( 0.000 -6.030 0.000) 6.030 60.162 ( -0.000 0.240 0.000) 0.240 60.178 ( 0.000 -0.464 0.000) 0.464 ======================= Grid point 45 (28/124) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 0.923 -0.000 0.000) 0.923 3.150 ( -1.534 0.000 0.000) 1.534 3.204 ( 11.409 -0.000 0.000) 11.409 3.905 ( -2.754 0.000 0.000) 2.754 4.352 ( -26.273 0.000 0.000) 26.273 4.374 ( 5.860 -0.000 0.000) 5.860 4.929 ( -2.729 0.000 0.000) 2.729 5.308 ( -20.975 0.000 0.000) 20.975 5.816 ( -6.395 0.000 0.000) 6.395 6.066 ( 9.400 -0.000 0.000) 9.400 6.319 ( 3.503 -0.000 0.000) 3.503 6.328 ( 22.521 -0.000 0.000) 22.521 6.420 ( 15.037 -0.000 0.000) 15.037 6.592 ( 14.560 -0.000 0.000) 14.560 6.910 ( -8.098 0.000 0.000) 8.098 7.383 ( 15.505 -0.000 0.000) 15.505 7.388 ( -0.742 0.000 0.000) 0.742 7.764 ( -11.517 0.000 0.000) 11.517 7.844 ( -3.922 0.000 0.000) 3.922 8.080 ( 2.284 -0.000 0.000) 2.284 8.520 ( -3.814 0.000 0.000) 3.814 8.723 ( 15.688 -0.000 0.000) 15.688 8.917 ( 3.541 -0.000 0.000) 3.541 9.277 ( 5.666 -0.000 0.000) 5.666 9.336 ( -30.402 0.000 0.000) 30.402 9.422 ( -0.267 0.000 0.000) 0.267 9.626 ( 4.721 -0.000 0.000) 4.721 9.696 ( -26.296 0.000 0.000) 26.296 10.348 ( 5.568 -0.000 0.000) 5.568 10.696 ( 10.224 -0.000 0.000) 10.224 11.149 ( 5.236 -0.000 0.000) 5.236 11.290 ( -7.809 0.000 0.000) 7.809 11.383 ( 13.185 -0.000 0.000) 13.185 11.916 ( 2.000 -0.000 0.000) 2.000 11.959 ( -14.921 0.000 0.000) 14.921 11.959 ( -7.693 0.000 0.000) 7.693 12.009 ( -2.648 0.000 0.000) 2.648 12.801 ( 3.666 -0.000 0.000) 3.666 13.302 ( 7.448 -0.000 0.000) 7.448 13.393 ( 1.806 -0.000 0.000) 1.806 13.518 ( 2.012 -0.000 0.000) 2.012 14.099 ( -7.173 0.000 0.000) 7.173 19.922 ( -9.371 0.000 0.000) 9.371 20.026 ( 0.983 -0.000 0.000) 0.983 20.771 ( 3.017 -0.000 0.000) 3.017 20.822 ( 2.305 -0.000 0.000) 2.305 20.964 ( -6.443 0.000 0.000) 6.443 21.395 ( 1.343 -0.000 0.000) 1.343 21.529 ( -5.302 0.000 0.000) 5.302 21.724 ( 2.374 -0.000 0.000) 2.374 22.108 ( 2.406 -0.000 0.000) 2.406 22.277 ( -2.677 0.000 0.000) 2.677 22.639 ( 1.328 -0.000 0.000) 1.328 22.798 ( -0.541 0.000 0.000) 0.541 24.094 ( 0.750 -0.000 0.000) 0.750 24.730 ( 3.816 -0.000 0.000) 3.816 25.074 ( 2.284 -0.000 0.000) 2.284 25.350 ( 6.658 -0.000 0.000) 6.658 25.576 ( 0.127 -0.000 0.000) 0.127 25.618 ( -4.642 0.000 0.000) 4.642 25.830 ( 4.241 -0.000 0.000) 4.241 26.602 ( -2.333 0.000 0.000) 2.333 26.829 ( -2.282 0.000 0.000) 2.282 26.889 ( 0.135 -0.000 0.000) 0.135 27.301 ( -2.154 0.000 0.000) 2.154 27.365 ( -0.820 0.000 0.000) 0.820 38.243 ( 0.859 -0.000 0.000) 0.859 38.292 ( 0.511 -0.000 0.000) 0.511 38.297 ( 0.202 -0.000 0.000) 0.202 38.563 ( -0.522 0.000 0.000) 0.522 38.781 ( 0.454 -0.000 0.000) 0.454 38.841 ( 0.406 -0.000 0.000) 0.406 51.914 ( -0.164 0.000 0.000) 0.164 51.968 ( 1.996 -0.000 0.000) 1.996 52.322 ( -9.957 0.000 0.000) 9.957 53.092 ( 1.515 -0.000 0.000) 1.515 53.633 ( 0.108 -0.000 0.000) 0.108 53.891 ( -1.964 0.000 0.000) 1.964 54.322 ( 2.190 -0.000 0.000) 2.190 54.336 ( 1.601 -0.000 0.000) 1.601 54.483 ( -2.615 0.000 0.000) 2.615 55.116 ( 0.549 -0.000 0.000) 0.549 55.165 ( 1.310 -0.000 0.000) 1.310 56.435 ( -3.379 0.000 0.000) 3.379 58.096 ( 0.341 -0.000 0.000) 0.341 58.105 ( 0.118 -0.000 0.000) 0.118 58.175 ( 0.856 -0.000 0.000) 0.856 58.568 ( -1.088 0.000 0.000) 1.088 60.177 ( -0.086 0.000 0.000) 0.086 60.177 ( 0.055 -0.000 0.000) 0.055 ======================= Grid point 46 (29/124) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -2.441 -10.830 0.000) 11.102 3.163 ( -4.146 6.683 0.000) 7.864 3.322 ( 1.611 -15.490 0.000) 15.573 4.146 ( 14.495 -18.539 0.000) 23.533 4.197 ( -13.919 -6.159 0.000) 15.221 4.449 ( -3.817 -5.983 0.000) 7.096 4.832 ( -0.935 8.048 0.000) 8.102 5.249 ( -13.320 -13.458 0.000) 18.935 5.769 ( -3.141 -0.439 0.000) 3.171 6.146 ( 8.552 3.199 0.000) 9.131 6.286 ( -4.574 3.054 0.000) 5.500 6.298 ( 16.716 15.069 0.000) 22.506 6.567 ( -3.386 6.782 0.000) 7.580 6.750 ( 7.618 -7.514 0.000) 10.700 6.834 ( -0.557 -1.271 0.000) 1.387 7.412 ( 1.776 -3.384 0.000) 3.822 7.528 ( -1.985 11.382 0.000) 11.554 7.574 ( 14.763 0.947 0.000) 14.793 7.840 ( -0.661 0.211 0.000) 0.694 8.166 ( -3.233 -5.920 0.000) 6.745 8.247 ( 0.481 20.676 0.000) 20.681 8.833 ( 1.858 7.015 0.000) 7.257 8.961 ( 2.195 -0.982 0.000) 2.405 9.116 ( 6.493 20.968 0.000) 21.950 9.274 ( -11.796 -20.109 0.000) 23.314 9.426 ( -5.985 -5.148 0.000) 7.895 9.507 ( -18.527 -5.919 0.000) 19.450 9.884 ( 7.456 -17.700 0.000) 19.206 10.373 ( 1.577 1.261 0.000) 2.019 10.713 ( 5.128 8.273 0.000) 9.734 11.239 ( 2.610 -5.306 0.000) 5.913 11.265 ( -4.388 -4.810 0.000) 6.511 11.474 ( 4.423 -0.186 0.000) 4.427 11.761 ( -8.983 4.263 0.000) 9.944 11.890 ( 0.799 3.520 0.000) 3.610 11.946 ( -0.001 1.740 0.000) 1.740 11.978 ( -1.480 1.146 0.000) 1.872 12.814 ( 1.627 1.349 0.000) 2.113 13.385 ( 3.930 -2.235 0.000) 4.521 13.413 ( 1.026 -0.638 0.000) 1.209 13.550 ( 1.078 -1.700 0.000) 2.013 14.006 ( -4.030 3.795 0.000) 5.536 19.867 ( -4.943 -2.042 0.000) 5.348 20.058 ( 0.500 -2.709 0.000) 2.755 20.785 ( 2.658 1.635 0.000) 3.121 20.830 ( 1.143 0.946 0.000) 1.484 20.903 ( -4.398 0.384 0.000) 4.415 21.412 ( 1.077 0.479 0.000) 1.178 21.510 ( -3.151 -3.592 0.000) 4.778 21.736 ( 1.047 0.718 0.000) 1.270 22.134 ( 3.627 0.766 0.000) 3.707 22.218 ( -3.540 2.841 0.000) 4.538 22.552 ( 1.186 10.820 0.000) 10.885 22.807 ( -0.237 -1.317 0.000) 1.338 24.149 ( -0.169 -5.639 0.000) 5.642 24.767 ( 1.919 -0.864 0.000) 2.105 25.094 ( 1.193 -0.366 0.000) 1.248 25.428 ( 5.954 -1.371 0.000) 6.110 25.544 ( -3.390 1.774 0.000) 3.825 25.602 ( -1.522 -1.597 0.000) 2.207 25.858 ( 1.922 0.445 0.000) 1.973 26.595 ( -1.184 -1.303 0.000) 1.761 26.782 ( -1.078 3.145 0.000) 3.325 26.889 ( 0.126 0.043 0.000) 0.133 27.277 ( -1.080 0.824 0.000) 1.358 27.362 ( -0.418 -0.331 0.000) 0.533 38.253 ( 0.369 -0.463 0.000) 0.592 38.292 ( 1.051 0.057 0.000) 1.053 38.320 ( -0.626 -1.935 0.000) 2.034 38.543 ( -0.263 1.778 0.000) 1.797 38.786 ( 0.229 -0.076 0.000) 0.241 38.846 ( 0.203 -0.251 0.000) 0.323 51.857 ( 0.055 4.611 0.000) 4.612 52.059 ( 1.744 -6.290 0.000) 6.527 52.261 ( -6.016 -2.152 0.000) 6.389 53.116 ( 0.811 -1.400 0.000) 1.618 53.615 ( 0.022 2.123 0.000) 2.123 53.892 ( -1.040 -1.935 0.000) 2.197 54.269 ( 1.629 6.246 0.000) 6.455 54.334 ( -0.151 1.917 0.000) 1.923 54.503 ( -0.708 -3.356 0.000) 3.430 54.980 ( 0.491 9.202 0.000) 9.215 55.325 ( 0.536 -10.277 0.000) 10.291 56.386 ( -1.740 2.755 0.000) 3.258 58.117 ( 0.549 -1.217 0.000) 1.335 58.123 ( 0.375 -2.706 0.000) 2.732 58.177 ( -0.142 0.437 0.000) 0.459 58.533 ( -0.658 3.017 0.000) 3.088 60.172 ( -0.067 0.298 0.000) 0.306 60.178 ( 0.020 0.034 0.000) 0.039 ======================= Grid point 47 (30/124) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -0.000 6.862 0.000) 6.862 3.276 ( 0.000 -19.225 0.000) 19.225 3.628 ( 0.000 -19.255 0.000) 19.255 4.291 ( 0.000 -10.905 0.000) 10.905 4.424 ( 0.000 -0.643 0.000) 0.643 4.672 ( -0.000 8.912 0.000) 8.912 4.765 ( 0.000 -35.152 0.000) 35.152 5.473 ( 0.000 -17.853 0.000) 17.853 5.784 ( 0.000 -3.170 0.000) 3.170 5.934 ( -0.000 21.134 0.000) 21.134 6.213 ( -0.000 17.275 0.000) 17.275 6.226 ( -0.000 12.412 0.000) 12.412 6.309 ( 0.000 -5.434 0.000) 5.434 6.822 ( -0.000 2.997 0.000) 2.997 6.975 ( 0.000 -10.118 0.000) 10.118 7.345 ( -0.000 10.859 0.000) 10.859 7.527 ( 0.000 -7.924 0.000) 7.924 7.535 ( -0.000 11.036 0.000) 11.036 7.807 ( -0.000 2.568 0.000) 2.568 7.928 ( -0.000 14.326 0.000) 14.326 8.264 ( 0.000 -9.007 0.000) 9.007 8.694 ( -0.000 8.414 0.000) 8.414 8.717 ( -0.000 26.662 0.000) 26.662 8.986 ( 0.000 -0.404 0.000) 0.404 9.522 ( 0.000 -7.663 0.000) 7.663 9.569 ( 0.000 -9.273 0.000) 9.273 9.570 ( 0.000 -19.173 0.000) 19.173 10.274 ( 0.000 -20.885 0.000) 20.885 10.341 ( -0.000 2.267 0.000) 2.267 10.509 ( -0.000 17.110 0.000) 17.110 11.357 ( 0.000 -6.278 0.000) 6.278 11.363 ( 0.000 -8.246 0.000) 8.246 11.486 ( -0.000 0.937 0.000) 0.937 11.631 ( -0.000 6.644 0.000) 6.644 11.834 ( -0.000 3.399 0.000) 3.399 11.900 ( -0.000 2.556 0.000) 2.556 11.944 ( -0.000 2.005 0.000) 2.005 12.800 ( -0.000 0.776 0.000) 0.776 13.433 ( 0.000 -0.989 0.000) 0.989 13.437 ( 0.000 -1.436 0.000) 1.436 13.586 ( 0.000 -1.600 0.000) 1.600 13.905 ( -0.000 5.284 0.000) 5.284 19.898 ( 0.000 -4.437 0.000) 4.437 20.126 ( 0.000 -4.736 0.000) 4.736 20.762 ( -0.000 2.569 0.000) 2.569 20.819 ( -0.000 0.595 0.000) 0.595 20.883 ( 0.000 -0.729 0.000) 0.729 21.388 ( -0.000 2.387 0.000) 2.387 21.593 ( 0.000 -6.787 0.000) 6.787 21.720 ( -0.000 1.675 0.000) 1.675 22.051 ( -0.000 10.139 0.000) 10.139 22.214 ( 0.000 -3.718 0.000) 3.718 22.314 ( -0.000 16.655 0.000) 16.655 22.835 ( 0.000 -1.976 0.000) 1.976 24.279 ( 0.000 -9.450 0.000) 9.450 24.795 ( 0.000 -1.301 0.000) 1.301 25.115 ( 0.000 -1.429 0.000) 1.429 25.450 ( -0.000 4.459 0.000) 4.459 25.513 ( 0.000 -1.857 0.000) 1.857 25.615 ( 0.000 -0.513 0.000) 0.513 25.848 ( -0.000 1.871 0.000) 1.871 26.621 ( 0.000 -2.270 0.000) 2.270 26.715 ( -0.000 3.426 0.000) 3.426 26.895 ( 0.000 -0.670 0.000) 0.670 27.253 ( -0.000 1.307 0.000) 1.307 27.366 ( 0.000 -0.408 0.000) 0.408 38.271 ( 0.000 -1.384 0.000) 1.384 38.296 ( -0.000 0.329 0.000) 0.329 38.357 ( 0.000 -2.701 0.000) 2.701 38.499 ( -0.000 3.032 0.000) 3.032 38.788 ( 0.000 -0.050 0.000) 0.050 38.852 ( 0.000 -0.327 0.000) 0.327 51.771 ( -0.000 5.193 0.000) 5.193 52.200 ( 0.000 -8.481 0.000) 8.481 52.281 ( 0.000 -3.871 0.000) 3.871 53.155 ( 0.000 -2.594 0.000) 2.594 53.562 ( -0.000 3.907 0.000) 3.907 53.937 ( 0.000 -3.782 0.000) 3.782 54.161 ( -0.000 6.907 0.000) 6.907 54.283 ( -0.000 3.740 0.000) 3.740 54.553 ( 0.000 -2.524 0.000) 2.524 54.827 ( -0.000 8.798 0.000) 8.798 55.511 ( 0.000 -10.917 0.000) 10.917 56.308 ( -0.000 5.164 0.000) 5.164 58.155 ( -0.000 1.611 0.000) 1.611 58.156 ( 0.000 -2.504 0.000) 2.504 58.194 ( 0.000 -4.985 0.000) 4.985 58.456 ( -0.000 5.190 0.000) 5.190 60.167 ( -0.000 0.189 0.000) 0.189 60.176 ( -0.000 0.205 0.000) 0.205 ======================= Grid point 58 (31/124) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 0.000 -0.000 0.000) 0.000 3.201 ( 0.000 -0.000 0.000) 0.000 3.202 ( -0.000 0.000 0.000) 0.000 4.033 ( 0.000 -0.000 0.000) 0.000 4.070 ( 0.000 -0.000 0.000) 0.000 4.417 ( 0.000 -0.000 0.000) 0.000 4.905 ( 0.000 -0.000 0.000) 0.000 5.041 ( 0.000 -0.000 0.000) 0.000 5.750 ( 0.000 -0.000 0.000) 0.000 6.157 ( 0.000 -0.000 0.000) 0.000 6.352 ( 0.000 -0.000 0.000) 0.000 6.568 ( 0.000 -0.000 0.000) 0.000 6.686 ( 0.000 -0.000 0.000) 0.000 6.691 ( 0.000 -0.000 0.000) 0.000 6.712 ( -0.000 0.000 0.000) 0.000 7.380 ( 0.000 -0.000 0.000) 0.000 7.601 ( 0.000 -0.000 0.000) 0.000 7.704 ( 0.000 -0.000 0.000) 0.000 7.847 ( 0.000 -0.000 0.000) 0.000 8.107 ( 0.000 -0.000 0.000) 0.000 8.493 ( 0.000 -0.000 0.000) 0.000 8.905 ( 0.000 -0.000 0.000) 0.000 8.961 ( 0.000 -0.000 0.000) 0.000 9.009 ( 0.000 -0.000 0.000) 0.000 9.299 ( -0.000 0.000 0.000) 0.000 9.333 ( 0.000 -0.000 0.000) 0.000 9.414 ( 0.000 -0.000 0.000) 0.000 9.702 ( 0.000 -0.000 0.000) 0.000 10.395 ( 0.000 -0.000 0.000) 0.000 10.817 ( 0.000 -0.000 0.000) 0.000 11.193 ( 0.000 -0.000 0.000) 0.000 11.203 ( 0.000 -0.000 0.000) 0.000 11.485 ( 0.000 -0.000 0.000) 0.000 11.757 ( 0.000 -0.000 0.000) 0.000 11.937 ( 0.000 -0.000 0.000) 0.000 11.956 ( 0.000 -0.000 0.000) 0.000 11.979 ( 0.000 -0.000 0.000) 0.000 12.835 ( 0.000 -0.000 0.000) 0.000 13.387 ( 0.000 -0.000 0.000) 0.000 13.413 ( 0.000 -0.000 0.000) 0.000 13.538 ( 0.000 -0.000 0.000) 0.000 14.018 ( 0.000 -0.000 0.000) 0.000 19.824 ( 0.000 -0.000 0.000) 0.000 20.038 ( 0.000 -0.000 0.000) 0.000 20.818 ( 0.000 -0.000 0.000) 0.000 20.845 ( 0.000 -0.000 0.000) 0.000 20.880 ( 0.000 -0.000 0.000) 0.000 21.430 ( 0.000 -0.000 0.000) 0.000 21.453 ( -0.000 0.000 0.000) 0.000 21.748 ( 0.000 -0.000 0.000) 0.000 22.137 ( 0.000 -0.000 0.000) 0.000 22.245 ( 0.000 -0.000 0.000) 0.000 22.653 ( 0.000 -0.000 0.000) 0.000 22.793 ( 0.000 -0.000 0.000) 0.000 24.101 ( 0.000 -0.000 0.000) 0.000 24.769 ( 0.000 -0.000 0.000) 0.000 25.098 ( 0.000 -0.000 0.000) 0.000 25.446 ( -0.000 0.000 0.000) 0.000 25.542 ( 0.000 -0.000 0.000) 0.000 25.576 ( 0.000 -0.000 0.000) 0.000 25.872 ( 0.000 -0.000 0.000) 0.000 26.577 ( 0.000 -0.000 0.000) 0.000 26.805 ( 0.000 -0.000 0.000) 0.000 26.891 ( 0.000 -0.000 0.000) 0.000 27.279 ( 0.000 -0.000 0.000) 0.000 27.356 ( 0.000 -0.000 0.000) 0.000 38.253 ( 0.000 -0.000 0.000) 0.000 38.297 ( 0.000 -0.000 0.000) 0.000 38.298 ( 0.000 -0.000 0.000) 0.000 38.558 ( 0.000 -0.000 0.000) 0.000 38.786 ( 0.000 -0.000 0.000) 0.000 38.845 ( 0.000 -0.000 0.000) 0.000 51.912 ( 0.000 -0.000 0.000) 0.000 52.000 ( 0.000 -0.000 0.000) 0.000 52.210 ( 0.000 -0.000 0.000) 0.000 53.108 ( 0.000 -0.000 0.000) 0.000 53.634 ( 0.000 -0.000 0.000) 0.000 53.870 ( 0.000 -0.000 0.000) 0.000 54.349 ( 0.000 -0.000 0.000) 0.000 54.352 ( 0.000 -0.000 0.000) 0.000 54.451 ( 0.000 -0.000 0.000) 0.000 55.121 ( 0.000 -0.000 0.000) 0.000 55.179 ( 0.000 -0.000 0.000) 0.000 56.401 ( 0.000 -0.000 0.000) 0.000 58.099 ( 0.000 -0.000 0.000) 0.000 58.106 ( 0.000 -0.000 0.000) 0.000 58.183 ( 0.000 -0.000 0.000) 0.000 58.557 ( 0.000 -0.000 0.000) 0.000 60.176 ( 0.000 -0.000 0.000) 0.000 60.178 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/124) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.000 0.000 52.746) 52.746 1.197 ( 0.000 0.000 58.428) 58.428 1.916 ( 0.000 0.000 93.738) 93.738 4.078 ( 0.000 0.000 -35.161) 35.161 4.322 ( 0.000 0.000 -17.212) 17.212 4.388 ( 0.000 0.000 5.091) 5.091 5.044 ( 0.000 0.000 7.206) 7.206 5.234 ( 0.000 0.000 9.295) 9.295 5.577 ( 0.000 0.000 17.090) 17.090 5.847 ( 0.000 0.000 -22.653) 22.653 6.146 ( 0.000 0.000 -8.250) 8.250 6.246 ( 0.000 0.000 -0.885) 0.885 6.317 ( 0.000 0.000 -1.167) 1.167 6.826 ( 0.000 0.000 17.290) 17.290 7.132 ( 0.000 0.000 13.113) 13.113 7.320 ( 0.000 0.000 -2.830) 2.830 7.366 ( 0.000 0.000 -8.170) 8.170 7.721 ( 0.000 0.000 -16.850) 16.850 8.058 ( 0.000 0.000 3.136) 3.136 8.292 ( 0.000 0.000 -13.739) 13.739 8.495 ( 0.000 0.000 -8.960) 8.960 8.663 ( 0.000 0.000 -8.524) 8.524 8.886 ( 0.000 0.000 -8.411) 8.411 9.233 ( 0.000 0.000 -10.094) 10.094 9.333 ( 0.000 0.000 10.930) 10.930 9.344 ( 0.000 0.000 13.538) 13.538 9.434 ( 0.000 0.000 9.379) 9.379 9.732 ( 0.000 0.000 -6.226) 6.226 9.758 ( 0.000 0.000 16.975) 16.975 10.566 ( 0.000 0.000 7.024) 7.024 11.488 ( 0.000 0.000 -14.783) 14.783 11.549 ( 0.000 0.000 19.884) 19.884 11.604 ( 0.000 0.000 -13.465) 13.465 12.199 ( 0.000 0.000 3.043) 3.043 12.199 ( 0.000 0.000 2.655) 2.655 12.453 ( 0.000 0.000 6.112) 6.112 12.519 ( 0.000 0.000 -0.034) 0.034 13.057 ( 0.000 0.000 -8.558) 8.558 13.329 ( 0.000 0.000 -0.950) 0.950 13.338 ( 0.000 0.000 2.433) 2.433 14.105 ( 0.000 0.000 -1.960) 1.960 14.494 ( 0.000 0.000 -13.239) 13.239 20.155 ( 0.000 0.000 12.716) 12.716 20.391 ( 0.000 0.000 -6.156) 6.156 20.776 ( 0.000 0.000 -4.514) 4.514 20.867 ( 0.000 0.000 13.561) 13.561 21.023 ( 0.000 0.000 0.156) 0.156 21.354 ( 0.000 0.000 -1.248) 1.248 21.357 ( 0.000 0.000 -3.058) 3.058 21.387 ( 0.000 0.000 -2.377) 2.377 21.871 ( 0.000 0.000 -5.216) 5.216 22.143 ( 0.000 0.000 6.168) 6.168 22.299 ( 0.000 0.000 -8.665) 8.665 22.884 ( 0.000 0.000 -1.656) 1.656 24.130 ( 0.000 0.000 9.764) 9.764 24.904 ( 0.000 0.000 0.233) 0.233 24.933 ( 0.000 0.000 -4.912) 4.912 25.173 ( 0.000 0.000 -5.447) 5.447 25.298 ( 0.000 0.000 0.798) 0.798 25.305 ( 0.000 0.000 1.824) 1.824 25.519 ( 0.000 0.000 0.344) 0.344 25.740 ( 0.000 0.000 -3.918) 3.918 26.898 ( 0.000 0.000 5.587) 5.587 26.901 ( 0.000 0.000 6.103) 6.103 27.409 ( 0.000 0.000 -2.823) 2.823 27.482 ( 0.000 0.000 -3.337) 3.337 38.219 ( 0.000 0.000 0.277) 0.277 38.221 ( 0.000 0.000 0.020) 0.020 38.224 ( 0.000 0.000 -0.025) 0.025 38.250 ( 0.000 0.000 -0.180) 0.180 38.739 ( 0.000 0.000 0.379) 0.379 38.796 ( 0.000 0.000 -0.468) 0.468 51.940 ( 0.000 0.000 0.980) 0.980 51.957 ( 0.000 0.000 0.946) 0.946 53.318 ( 0.000 0.000 -0.251) 0.251 53.334 ( 0.000 0.000 -0.501) 0.501 53.537 ( 0.000 0.000 -6.264) 6.264 53.650 ( 0.000 0.000 -5.673) 5.673 54.155 ( 0.000 0.000 9.591) 9.591 54.655 ( 0.000 0.000 0.201) 0.201 55.058 ( 0.000 0.000 0.428) 0.428 55.061 ( 0.000 0.000 0.374) 0.374 56.297 ( 0.000 0.000 3.219) 3.219 56.725 ( 0.000 0.000 -3.023) 3.023 58.037 ( 0.000 0.000 0.003) 0.003 58.038 ( 0.000 0.000 -0.014) 0.014 58.082 ( 0.000 0.000 0.137) 0.137 58.097 ( 0.000 0.000 -0.088) 0.088 60.171 ( 0.000 0.000 0.063) 0.063 60.181 ( 0.000 0.000 -0.089) 0.089 ======================= Grid point 106 (33/124) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 14.155 -25.523 37.560) 47.566 1.533 ( 13.829 -31.269 38.567) 51.540 2.548 ( 23.718 -46.152 69.250) 86.534 4.043 ( 3.908 4.652 -25.108) 25.833 4.322 ( 4.267 8.864 -14.170) 17.250 4.397 ( 0.160 -2.390 0.099) 2.398 4.946 ( 1.367 2.474 1.133) 3.045 5.314 ( 2.962 -7.131 12.936) 15.065 5.744 ( 0.491 8.123 -12.763) 15.136 5.816 ( -2.709 -13.717 -5.790) 15.133 6.086 ( 2.360 9.065 -4.010) 10.189 6.309 ( 6.341 -4.283 0.720) 7.686 6.623 ( -12.019 -7.700 2.852) 14.556 6.861 ( 10.145 -7.029 -8.476) 14.972 7.217 ( -8.047 -9.964 8.548) 15.399 7.288 ( -8.106 -1.335 0.486) 8.230 7.408 ( -4.298 -2.406 -11.414) 12.432 7.665 ( 0.765 7.407 -12.192) 14.286 7.975 ( 1.856 6.517 2.249) 7.140 8.182 ( 4.279 19.191 -5.536) 20.427 8.353 ( 2.751 -2.654 -14.584) 15.077 8.797 ( -12.269 -10.416 -11.758) 19.932 9.068 ( 4.434 10.120 7.371) 13.282 9.179 ( 10.776 -8.889 -0.996) 14.005 9.305 ( 4.940 -4.771 -4.507) 8.214 9.532 ( 3.306 -13.036 9.043) 16.206 9.630 ( 6.743 -5.294 3.866) 9.404 9.700 ( -2.179 1.975 -0.474) 2.979 9.756 ( 1.691 -6.107 2.265) 6.730 10.670 ( 1.873 -9.177 2.457) 9.683 11.368 ( -7.635 14.445 23.679) 28.769 11.502 ( 1.132 1.662 -15.897) 16.024 11.619 ( -0.060 -1.162 -11.458) 11.517 12.092 ( -9.601 19.755 12.191) 25.121 12.180 ( -0.438 2.363 2.355) 3.364 12.278 ( -9.161 15.991 14.116) 23.214 12.505 ( -12.115 7.182 7.806) 16.102 12.613 ( 3.995 -1.341 -0.112) 4.215 13.278 ( 0.249 1.899 -0.581) 2.001 13.377 ( 0.201 -2.112 1.461) 2.576 13.686 ( -9.799 13.014 11.853) 20.146 14.405 ( -2.546 8.430 -12.879) 15.602 20.372 ( -8.293 -7.963 -0.844) 11.527 20.411 ( -5.119 -8.400 -1.233) 9.914 20.762 ( -3.368 2.654 3.351) 5.442 20.871 ( 1.901 -0.135 4.499) 4.886 21.216 ( 20.136 4.195 -7.847) 22.015 21.274 ( 8.294 5.530 -5.105) 11.200 21.403 ( 5.903 -1.353 -1.263) 6.187 21.450 ( -0.239 -3.691 -1.612) 4.035 21.868 ( -0.929 -0.091 -5.823) 5.897 22.082 ( -1.017 5.803 7.120) 9.241 22.320 ( 0.074 -1.221 -7.704) 7.800 22.901 ( -0.463 -1.776 -1.692) 2.496 24.285 ( 0.232 -10.264 -0.894) 10.305 24.832 ( -12.771 0.113 0.562) 12.784 24.915 ( 0.358 -1.213 -0.147) 1.273 25.058 ( -8.191 -7.630 0.065) 11.194 25.359 ( 3.851 -3.916 1.333) 5.651 25.412 ( 11.258 4.173 0.219) 12.009 25.731 ( -0.345 0.895 -3.750) 3.871 26.168 ( 20.937 -25.772 -34.595) 47.952 26.879 ( -1.711 0.427 6.106) 6.356 26.905 ( 0.960 0.727 5.782) 5.906 27.401 ( -0.417 0.641 -2.782) 2.885 27.475 ( -1.033 0.247 -3.196) 3.368 38.212 ( 0.360 0.782 0.233) 0.892 38.230 ( -0.904 -1.335 -0.131) 1.618 38.271 ( 1.544 -1.142 -0.258) 1.938 38.383 ( 4.283 -7.792 -8.952) 12.617 38.742 ( 0.246 -0.213 0.388) 0.506 38.802 ( 0.204 -0.461 -0.497) 0.707 51.904 ( -0.990 3.228 0.915) 3.499 52.069 ( -1.666 -10.318 -8.945) 13.756 53.168 ( -4.732 7.271 1.701) 8.841 53.379 ( -10.001 -4.012 0.670) 10.796 53.549 ( 2.919 -0.011 -4.610) 5.456 53.651 ( 1.963 0.820 -5.625) 6.013 54.141 ( 1.831 2.558 8.556) 9.116 54.533 ( -2.888 13.274 4.673) 14.366 54.919 ( 0.529 7.803 3.149) 8.431 55.215 ( 0.434 -9.071 -1.537) 9.210 55.315 ( -16.585 35.684 52.725) 65.790 56.675 ( -2.002 4.470 -3.809) 6.205 58.039 ( 0.954 0.809 0.095) 1.254 58.048 ( 1.068 0.118 -0.061) 1.077 58.124 ( 0.916 -2.426 0.332) 2.615 58.456 ( 4.724 -12.152 -14.125) 19.222 60.168 ( 0.076 0.271 0.110) 0.303 60.185 ( -0.049 -0.355 -0.143) 0.386 ======================= Grid point 107 (34/124) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 15.510 -32.646 18.887) 40.780 2.365 ( 18.464 -40.971 13.352) 46.881 3.648 ( 23.201 -43.648 34.904) 60.512 4.066 ( 12.423 -2.988 -5.089) 13.753 4.098 ( -0.045 13.324 1.910) 13.460 4.472 ( 4.577 -2.174 -7.040) 8.674 5.060 ( 3.135 -9.828 -12.010) 15.832 5.462 ( -5.263 12.545 -10.817) 17.380 5.486 ( 4.145 -1.033 8.303) 9.338 5.816 ( -4.919 9.639 -13.730) 17.482 6.072 ( -3.207 -8.515 -2.727) 9.498 6.441 ( 2.062 1.008 4.725) 5.253 6.615 ( -0.088 -6.184 11.549) 13.101 6.955 ( -8.395 -3.178 -11.144) 14.310 7.198 ( -4.590 4.038 -6.933) 9.243 7.221 ( -15.656 -1.957 10.629) 19.024 7.306 ( -5.996 5.546 -4.880) 9.515 7.514 ( -3.692 6.260 3.633) 8.126 7.843 ( 6.166 13.538 -5.542) 15.875 8.058 ( 8.541 3.026 9.134) 12.867 8.431 ( 5.731 -2.750 -16.156) 17.361 8.707 ( -1.146 21.391 22.740) 31.241 8.912 ( -11.445 -12.243 -12.051) 20.643 9.442 ( 6.253 -2.827 0.036) 6.863 9.520 ( 1.667 -4.510 -1.501) 5.037 9.669 ( 10.294 0.076 10.892) 14.987 9.686 ( -2.307 -12.728 -1.320) 13.003 9.850 ( 4.751 -16.284 -0.943) 16.989 9.987 ( 7.536 -7.026 -7.685) 12.854 10.826 ( -3.065 0.330 3.211) 4.452 10.962 ( -5.013 14.250 11.225) 18.820 11.298 ( -8.443 17.084 19.870) 27.532 11.616 ( -1.026 -0.672 -10.927) 10.996 11.728 ( -0.104 2.005 -8.190) 8.433 12.117 ( -1.166 3.881 2.385) 4.702 12.140 ( -4.815 2.085 2.710) 5.906 12.372 ( -2.534 6.674 2.597) 7.597 12.749 ( 4.221 -6.239 -7.526) 10.649 13.220 ( -4.492 5.118 -2.187) 7.152 13.386 ( 0.108 0.006 3.631) 3.633 13.498 ( -2.854 0.966 5.545) 6.311 14.178 ( -3.746 13.310 -12.405) 18.577 20.380 ( -0.450 -0.193 -4.190) 4.218 20.484 ( -9.877 -8.239 3.857) 13.428 20.658 ( -5.161 3.796 3.795) 7.446 20.881 ( -1.396 -0.701 -0.289) 1.589 21.123 ( -0.087 7.384 -4.473) 8.633 21.397 ( 17.872 4.407 -2.326) 18.554 21.456 ( 0.594 -0.574 -2.354) 2.494 21.530 ( 4.073 -3.419 3.111) 6.161 21.850 ( -1.741 1.092 -5.957) 6.302 21.953 ( 0.313 7.672 9.443) 12.171 22.334 ( -0.769 -0.987 -5.745) 5.880 22.923 ( -1.328 -1.632 -1.616) 2.653 24.445 ( 1.354 -7.918 -1.980) 8.274 24.751 ( -6.767 -1.615 1.598) 7.138 24.954 ( 0.970 -2.449 -0.895) 2.782 25.138 ( -1.448 -6.109 -2.274) 6.678 25.412 ( 4.420 2.331 -1.236) 5.148 25.519 ( 5.882 -5.253 3.457) 8.611 25.701 ( -0.550 1.995 -3.305) 3.900 26.529 ( 6.093 -5.022 -23.367) 24.665 26.858 ( -1.697 -0.081 6.333) 6.557 26.900 ( 0.685 0.487 5.898) 5.957 27.380 ( -0.797 1.038 -2.537) 2.854 27.450 ( -1.775 1.095 -2.413) 3.189 38.208 ( 0.597 0.212 0.424) 0.763 38.249 ( -0.287 -1.573 -0.191) 1.611 38.311 ( 1.587 -1.480 -0.216) 2.181 38.487 ( 0.718 -2.120 -6.498) 6.873 38.751 ( 0.459 -0.440 0.369) 0.735 38.815 ( 0.331 -0.697 -0.529) 0.936 51.818 ( -1.312 5.071 1.159) 5.365 52.210 ( -3.072 -8.379 -14.554) 17.072 53.000 ( -5.004 6.310 1.473) 8.186 53.318 ( -9.306 -1.663 4.568) 10.499 53.560 ( 0.217 1.151 -0.214) 1.190 53.671 ( 2.669 -0.299 -8.775) 9.177 54.097 ( 1.675 5.091 6.763) 8.629 54.290 ( 2.016 9.401 8.352) 12.736 54.804 ( 1.166 6.578 7.258) 9.864 54.959 ( -3.588 5.675 30.036) 30.777 55.381 ( 0.949 -9.424 -2.997) 9.934 56.542 ( -3.202 7.574 -5.235) 9.748 58.035 ( 0.651 0.354 0.193) 0.766 58.059 ( 1.018 -0.123 -0.166) 1.039 58.188 ( 1.368 -3.301 1.132) 3.748 58.567 ( -0.714 -1.624 -7.018) 7.239 60.165 ( 0.169 0.205 0.159) 0.310 60.190 ( -0.167 -0.268 -0.203) 0.375 ======================= Grid point 108 (35/124) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 10.015 -32.403 7.912) 34.826 3.173 ( 16.431 -27.591 -3.471) 32.300 3.842 ( 4.601 4.224 -7.848) 10.030 4.123 ( 8.879 -4.168 1.731) 9.960 4.471 ( 0.205 -2.654 -1.687) 3.151 4.834 ( 25.214 -23.982 28.979) 45.284 5.090 ( -4.931 12.542 -10.421) 17.036 5.302 ( -6.718 -16.351 -20.091) 26.761 5.492 ( 5.897 6.995 11.046) 14.343 5.711 ( 3.243 -0.611 -3.030) 4.480 6.155 ( -4.214 -4.971 -10.125) 12.041 6.345 ( -6.327 4.789 5.386) 9.590 6.692 ( -3.203 0.398 -1.121) 3.417 6.883 ( -10.612 0.929 -1.810) 10.805 6.990 ( -2.027 12.589 0.297) 12.755 7.108 ( -9.784 -1.329 5.539) 11.321 7.147 ( -2.872 4.649 0.397) 5.479 7.401 ( -7.991 1.414 3.395) 8.797 7.760 ( 11.999 5.477 -3.680) 13.693 8.107 ( 5.641 1.230 15.235) 16.292 8.327 ( -1.443 17.096 32.586) 36.827 8.615 ( 8.321 -8.111 -12.101) 16.777 8.974 ( -16.781 -9.429 -9.046) 21.268 9.377 ( -1.023 9.597 -3.697) 10.335 9.549 ( 6.961 1.752 4.723) 8.592 9.807 ( 0.479 0.426 12.883) 12.899 9.982 ( 8.790 -15.021 1.549) 17.472 10.105 ( 6.828 -9.072 -13.989) 18.017 10.222 ( 1.607 -13.111 5.325) 14.242 10.436 ( -6.296 17.685 12.745) 22.690 10.906 ( -5.355 2.857 6.183) 8.664 11.143 ( 3.673 -3.097 -5.194) 7.076 11.632 ( -0.388 -1.136 -8.034) 8.123 11.729 ( -0.144 0.131 -7.024) 7.027 12.024 ( -2.360 6.145 1.825) 6.831 12.067 ( -3.614 1.334 -0.343) 3.867 12.146 ( -3.897 15.026 5.093) 16.338 12.828 ( -4.415 -1.473 -5.137) 6.932 13.135 ( 0.747 -2.146 -10.515) 10.758 13.431 ( 1.722 -2.681 2.726) 4.193 13.501 ( 0.488 -1.118 2.847) 3.097 13.906 ( -3.369 13.152 -12.633) 18.545 20.377 ( 0.236 0.545 -3.533) 3.583 20.499 ( -7.976 -2.619 3.909) 9.261 20.560 ( -4.359 0.161 0.876) 4.449 20.866 ( -2.881 0.162 -3.675) 4.672 21.007 ( 1.054 6.093 -7.222) 9.508 21.446 ( 4.085 2.678 0.581) 4.919 21.475 ( 5.338 1.038 0.764) 5.492 21.622 ( 3.185 -2.355 5.381) 6.682 21.774 ( 0.469 5.835 7.499) 9.514 21.870 ( -0.225 1.976 0.256) 2.005 22.344 ( -1.084 -1.212 -4.292) 4.590 22.928 ( -1.707 -0.650 -1.438) 2.324 24.590 ( 1.532 -7.097 -1.625) 7.440 24.744 ( -2.788 -2.832 1.565) 4.271 25.017 ( 1.436 -3.302 -1.496) 3.899 25.225 ( 0.286 -4.373 -2.311) 4.954 25.393 ( 2.122 3.329 -3.090) 5.013 25.637 ( 1.947 1.458 -0.371) 2.461 25.662 ( 2.189 -1.185 1.660) 2.992 26.587 ( 0.985 0.209 -14.707) 14.742 26.846 ( -1.358 -0.187 6.534) 6.676 26.912 ( 0.994 -1.126 6.025) 6.210 27.345 ( -1.812 1.749 -1.343) 2.854 27.410 ( -1.280 1.380 -1.988) 2.738 38.218 ( 0.981 -0.483 0.526) 1.213 38.277 ( 0.167 -1.602 -0.283) 1.636 38.347 ( 1.109 -0.998 -0.154) 1.500 38.497 ( -0.867 0.225 -3.460) 3.574 38.765 ( 0.507 -0.528 0.355) 0.813 38.830 ( 0.337 -0.665 -0.550) 0.927 51.717 ( -1.048 4.867 1.585) 5.225 52.299 ( -2.735 -5.397 -15.097) 16.264 52.855 ( -4.443 4.829 0.861) 6.618 53.280 ( -4.811 -2.201 3.687) 6.448 53.522 ( -0.730 2.637 2.875) 3.969 53.700 ( 1.048 -0.653 -10.364) 10.437 54.014 ( 0.945 4.959 4.850) 7.001 54.239 ( 3.826 2.025 0.605) 4.371 54.718 ( 1.400 4.787 13.270) 14.177 54.875 ( -2.256 2.073 20.825) 21.049 55.559 ( 1.545 -9.722 -4.104) 10.665 56.361 ( -3.574 9.245 -6.100) 11.638 58.042 ( 0.703 -0.279 0.255) 0.799 58.073 ( 1.062 -0.215 -0.210) 1.104 58.255 ( 1.221 -2.844 1.352) 3.377 58.551 ( -2.139 1.144 -3.560) 4.308 60.164 ( 0.189 0.117 0.170) 0.279 60.191 ( -0.243 -0.088 -0.220) 0.340 ======================= Grid point 109 (36/124) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( -7.776 -12.176 -7.517) 16.286 3.573 ( 17.795 -12.775 -8.989) 23.678 4.103 ( 14.799 -11.810 -6.133) 19.902 4.251 ( 8.643 0.490 5.268) 10.134 4.495 ( -0.088 -3.184 4.137) 5.221 4.755 ( -14.058 5.580 -13.764) 20.450 5.158 ( -1.020 -0.735 -4.448) 4.622 5.353 ( 2.306 1.296 2.945) 3.958 5.598 ( 7.925 5.743 17.265) 19.846 5.953 ( 9.681 -11.451 9.705) 17.861 6.146 ( -15.551 -1.547 -2.223) 15.785 6.248 ( 6.916 -4.281 -9.930) 12.836 6.579 ( -2.051 9.409 4.441) 10.605 6.646 ( -11.674 2.912 -5.317) 13.154 6.927 ( -1.863 -3.546 5.817) 7.062 7.062 ( -1.220 3.413 -1.833) 4.062 7.118 ( 0.773 -3.291 3.679) 4.996 7.299 ( -6.160 1.930 -1.561) 6.641 7.857 ( 14.019 -0.079 1.952) 14.154 8.081 ( 2.679 5.075 27.641) 28.231 8.169 ( 0.101 -0.375 19.597) 19.601 8.723 ( -14.727 7.998 -9.068) 19.055 8.930 ( 2.328 -7.659 -3.020) 8.555 9.287 ( 0.958 -2.191 -1.445) 2.794 9.486 ( -6.126 6.921 0.918) 9.288 9.718 ( 3.896 11.473 13.389) 18.057 10.017 ( -2.262 9.754 13.733) 16.995 10.295 ( 6.510 -7.890 -11.589) 15.457 10.417 ( 9.317 -12.974 2.996) 16.252 10.545 ( -0.341 -15.778 5.856) 16.834 10.868 ( -0.195 -1.226 0.761) 1.456 11.257 ( 2.575 -4.362 -14.031) 14.918 11.592 ( -6.136 12.052 0.072) 13.525 11.698 ( -2.882 4.810 -1.002) 5.696 11.721 ( -2.757 6.457 -0.733) 7.059 11.997 ( -0.173 2.515 5.674) 6.209 12.041 ( -1.390 0.033 -2.586) 2.936 12.789 ( -4.074 -0.439 -3.764) 5.564 13.232 ( 2.559 -4.118 -15.201) 15.955 13.461 ( -0.340 0.187 0.277) 0.477 13.548 ( 2.692 -2.006 0.698) 3.429 13.693 ( -2.098 7.521 -11.973) 14.294 20.358 ( -0.658 1.414 -0.217) 1.574 20.446 ( -3.147 0.285 -0.855) 3.274 20.559 ( -3.587 -2.874 -0.230) 4.602 20.819 ( -1.592 2.137 -3.174) 4.144 20.945 ( 0.800 2.311 -12.913) 13.143 21.434 ( 0.255 0.831 -0.676) 1.101 21.493 ( 3.310 1.778 7.170) 8.095 21.636 ( 1.122 2.835 7.850) 8.421 21.734 ( 2.190 0.234 12.386) 12.580 21.851 ( -0.552 0.158 -3.167) 3.218 22.353 ( -0.749 -0.884 -3.426) 3.616 22.917 ( -1.189 -0.034 -1.240) 1.718 24.712 ( 1.127 -5.260 -0.953) 5.464 24.777 ( -0.871 -2.302 0.778) 2.581 25.089 ( 1.328 -3.211 -1.492) 3.781 25.267 ( -0.277 0.815 0.278) 0.905 25.374 ( 1.425 -0.780 -6.746) 6.939 25.562 ( -0.606 5.033 -2.897) 5.839 25.726 ( 2.340 -1.010 4.445) 5.123 26.581 ( -0.255 0.383 -11.559) 11.568 26.838 ( -0.723 -0.082 6.856) 6.894 26.956 ( 1.400 -2.139 5.579) 6.137 27.285 ( -2.327 2.374 0.758) 3.410 27.385 ( -0.293 0.613 -2.390) 2.485 38.240 ( 0.988 -0.789 0.503) 1.361 38.305 ( 0.357 -1.336 -0.399) 1.439 38.363 ( 0.305 0.111 -0.061) 0.330 38.477 ( -1.018 0.625 -1.907) 2.250 38.777 ( 0.330 -0.362 0.365) 0.610 38.843 ( 0.213 -0.403 -0.561) 0.723 51.640 ( -0.531 2.886 2.007) 3.555 52.347 ( -1.545 -2.668 -14.745) 15.064 52.754 ( -2.679 2.637 0.956) 3.878 53.292 ( -1.512 -2.524 -0.871) 3.069 53.464 ( -0.901 2.776 6.344) 6.984 53.712 ( 0.160 -0.209 -9.898) 9.902 53.958 ( 0.571 2.390 2.036) 3.191 54.255 ( 2.339 0.281 -4.699) 5.257 54.667 ( 1.052 2.471 19.588) 19.772 54.829 ( -1.424 1.098 16.791) 16.887 55.747 ( 2.187 -9.887 -4.983) 11.285 56.160 ( -3.358 9.864 -6.205) 12.128 58.056 ( 0.515 -0.520 0.295) 0.789 58.086 ( 0.813 -0.128 -0.133) 0.833 58.308 ( 0.957 -1.964 0.979) 2.394 58.502 ( -2.023 1.703 -1.972) 3.299 60.165 ( 0.124 0.039 0.156) 0.203 60.189 ( -0.186 0.023 -0.205) 0.278 ======================= Grid point 110 (37/124) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 0.000 -0.000 -16.404) 16.404 3.914 ( -0.000 0.000 -6.632) 6.632 4.083 ( 0.000 -0.000 2.681) 2.681 4.431 ( 0.000 -0.000 0.220) 0.220 4.566 ( -0.000 -0.000 9.297) 9.297 4.586 ( 0.000 0.000 -22.577) 22.577 5.140 ( 0.000 -0.000 -3.321) 3.321 5.383 ( 0.000 -0.000 -7.136) 7.136 5.542 ( 0.000 -0.000 27.049) 27.049 6.027 ( -0.000 -0.000 13.693) 13.693 6.039 ( 0.000 0.000 -2.157) 2.157 6.440 ( 0.000 -0.000 2.587) 2.587 6.501 ( -0.000 0.000 -11.059) 11.059 6.519 ( 0.000 -0.000 -3.488) 3.488 7.003 ( 0.000 0.000 14.784) 14.784 7.008 ( 0.000 -0.000 -4.079) 4.079 7.168 ( -0.000 -0.000 5.623) 5.623 7.239 ( 0.000 -0.000 -9.837) 9.837 7.926 ( 0.000 -0.000 33.844) 33.844 8.154 ( -0.000 -0.000 7.026) 7.026 8.232 ( -0.000 -0.000 -6.111) 6.111 8.358 ( 0.000 -0.000 5.556) 5.556 9.095 ( 0.000 -0.000 -3.136) 3.136 9.320 ( 0.000 -0.000 11.390) 11.390 9.421 ( 0.000 -0.000 5.035) 5.035 9.506 ( 0.000 0.000 -4.876) 4.876 9.965 ( -0.000 -0.000 19.118) 19.118 10.393 ( 0.000 -0.000 -15.132) 15.132 10.561 ( 0.000 -0.000 6.931) 6.931 10.817 ( 0.000 -0.000 2.609) 2.609 10.889 ( -0.000 -0.000 -0.821) 0.821 11.250 ( 0.000 -0.000 5.397) 5.397 11.322 ( 0.000 -0.000 -13.012) 13.012 11.669 ( 0.000 -0.000 -2.717) 2.717 11.691 ( 0.000 0.000 -1.068) 1.068 11.976 ( 0.000 -0.000 6.063) 6.063 12.035 ( 0.000 -0.000 -3.514) 3.514 12.772 ( 0.000 -0.000 -3.679) 3.679 13.284 ( 0.000 -0.000 -15.335) 15.335 13.449 ( 0.000 -0.000 -2.828) 2.828 13.593 ( 0.000 -0.000 0.560) 0.560 13.611 ( -0.000 -0.000 -10.896) 10.896 20.337 ( 0.000 -0.000 1.615) 1.615 20.431 ( 0.000 -0.000 -3.082) 3.082 20.568 ( 0.000 -0.000 -1.077) 1.077 20.788 ( 0.000 -0.000 -2.492) 2.492 20.931 ( 0.000 -0.000 -15.505) 15.505 21.428 ( -0.000 -0.000 -1.466) 1.466 21.492 ( 0.000 -0.000 11.185) 11.185 21.612 ( 0.000 -0.000 8.861) 8.861 21.749 ( 0.000 -0.000 11.888) 11.888 21.848 ( -0.000 -0.000 -3.440) 3.440 22.357 ( 0.000 -0.000 -3.162) 3.162 22.911 ( 0.000 -0.000 -1.151) 1.151 24.780 ( -0.000 0.000 -0.338) 0.338 24.783 ( 0.000 -0.000 -0.056) 0.056 25.134 ( 0.000 -0.000 -0.785) 0.785 25.236 ( 0.000 -0.000 -0.558) 0.558 25.420 ( 0.000 -0.000 -7.691) 7.691 25.489 ( 0.000 -0.000 -2.088) 2.088 25.745 ( 0.000 -0.000 4.564) 4.564 26.576 ( 0.000 -0.000 -10.767) 10.767 26.835 ( 0.000 -0.000 6.987) 6.987 26.988 ( 0.000 -0.000 5.014) 5.014 27.245 ( 0.000 -0.000 1.794) 1.794 27.379 ( 0.000 -0.000 -2.490) 2.490 38.255 ( 0.000 -0.000 0.449) 0.449 38.323 ( 0.000 -0.000 -0.623) 0.623 38.358 ( 0.000 -0.000 0.196) 0.196 38.466 ( 0.000 -0.000 -1.451) 1.451 38.782 ( 0.000 -0.000 0.371) 0.371 38.847 ( 0.000 -0.000 -0.563) 0.563 51.612 ( 0.000 -0.000 2.185) 2.185 52.362 ( 0.000 -0.000 -14.567) 14.567 52.717 ( 0.000 -0.000 1.081) 1.081 53.314 ( 0.000 -0.000 -5.828) 5.828 53.428 ( 0.000 -0.000 10.627) 10.627 53.714 ( 0.000 -0.000 -9.337) 9.337 53.941 ( 0.000 -0.000 0.726) 0.726 54.265 ( 0.000 -0.000 -6.864) 6.864 54.652 ( 0.000 -0.000 22.650) 22.650 54.812 ( 0.000 -0.000 15.306) 15.306 55.915 ( 0.000 -0.000 -5.443) 5.443 55.986 ( 0.000 0.000 -6.025) 6.025 58.064 ( 0.000 -0.000 0.313) 0.313 58.091 ( 0.000 -0.000 -0.068) 0.068 58.333 ( 0.000 -0.000 0.647) 0.647 58.472 ( 0.000 -0.000 -1.402) 1.402 60.165 ( 0.000 -0.000 0.145) 0.145 60.188 ( 0.000 -0.000 -0.192) 0.192 ======================= Grid point 117 (38/124) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 37.704 -0.000 32.062) 49.493 1.492 ( 26.779 -0.000 46.094) 53.308 2.437 ( 41.982 -0.000 66.956) 79.029 4.152 ( 6.474 -0.000 -33.305) 33.928 4.338 ( -6.401 0.000 2.210) 6.772 4.461 ( 8.265 -0.000 -22.018) 23.519 4.997 ( -6.456 0.000 -0.994) 6.532 5.304 ( 11.009 -0.000 26.982) 29.142 5.719 ( 9.218 -0.000 3.478) 9.852 5.771 ( -5.077 0.000 -16.927) 17.672 6.265 ( 2.804 -0.000 1.080) 3.005 6.266 ( -6.364 0.000 -2.754) 6.935 6.424 ( 4.875 -0.000 -8.193) 9.534 6.953 ( -17.663 0.000 19.985) 26.671 6.980 ( 12.527 -0.000 -6.024) 13.900 7.185 ( -9.673 0.000 -8.877) 13.129 7.357 ( -1.315 0.000 -8.162) 8.267 7.728 ( 0.008 -0.000 -12.006) 12.006 8.061 ( 0.233 -0.000 0.324) 0.398 8.342 ( 3.462 -0.000 -16.583) 16.940 8.425 ( -2.958 0.000 -3.222) 4.374 8.570 ( -3.003 0.000 -16.685) 16.953 9.112 ( 9.245 -0.000 -4.992) 10.506 9.355 ( 0.580 -0.000 12.662) 12.675 9.399 ( 7.994 -0.000 6.295) 10.175 9.450 ( 14.245 -0.000 -10.980) 17.985 9.587 ( 14.863 -0.000 -0.022) 14.863 9.606 ( -8.499 0.000 -1.113) 8.572 9.813 ( 5.734 -0.000 16.407) 17.380 10.616 ( 4.662 -0.000 5.900) 7.519 11.361 ( -14.851 0.000 16.785) 22.412 11.554 ( 3.439 -0.000 -15.067) 15.455 11.612 ( -0.013 0.000 -9.262) 9.262 12.091 ( -24.811 0.000 19.375) 31.480 12.169 ( -4.265 0.000 4.484) 6.188 12.321 ( -32.898 0.000 17.107) 37.080 12.399 ( -1.113 0.000 1.795) 2.112 12.645 ( 8.198 -0.000 -2.603) 8.601 13.311 ( -0.549 0.000 -1.654) 1.743 13.350 ( 1.243 -0.000 3.394) 3.614 13.651 ( -19.516 0.000 12.976) 23.436 14.440 ( -5.300 0.000 -13.347) 14.361 20.136 ( -1.748 0.000 11.273) 11.408 20.426 ( 3.350 -0.000 -5.056) 6.065 20.707 ( -10.277 0.000 -0.141) 10.278 20.888 ( 2.010 -0.000 13.926) 14.070 21.330 ( -2.711 0.000 -2.211) 3.498 21.368 ( 1.143 -0.000 -2.211) 2.489 21.419 ( 5.870 -0.000 -0.522) 5.893 21.710 ( 23.485 -0.000 -33.866) 41.213 21.874 ( 5.789 -0.000 -12.254) 13.552 22.110 ( -2.585 0.000 4.622) 5.295 22.311 ( 0.603 -0.000 -7.402) 7.427 22.882 ( -0.240 0.000 -1.690) 1.707 24.138 ( 0.741 -0.000 9.786) 9.814 24.640 ( -10.208 0.000 11.015) 15.017 24.911 ( 0.868 -0.000 -0.468) 0.986 24.991 ( 2.453 -0.000 -2.114) 3.238 25.378 ( 7.415 -0.000 1.775) 7.624 25.530 ( 1.111 -0.000 0.436) 1.194 25.732 ( -0.775 0.000 -3.857) 3.934 26.261 ( 36.178 -0.000 -38.287) 52.676 26.862 ( -2.328 0.000 6.135) 6.561 26.922 ( 0.878 -0.000 5.474) 5.544 27.400 ( -0.861 0.000 -2.813) 2.941 27.462 ( -1.943 0.000 -3.214) 3.755 38.207 ( -0.259 0.000 0.206) 0.331 38.246 ( 1.445 -0.000 0.237) 1.465 38.251 ( 0.373 -0.000 -0.436) 0.574 38.388 ( 9.073 -0.000 -9.049) 12.814 38.744 ( 0.470 -0.000 0.369) 0.598 38.801 ( 0.409 -0.000 -0.465) 0.619 51.919 ( -1.483 0.000 0.489) 1.562 51.952 ( -0.438 0.000 0.810) 0.921 53.170 ( -12.523 0.000 -1.034) 12.566 53.229 ( -6.810 0.000 8.037) 10.534 53.574 ( 2.169 -0.000 -3.831) 4.403 53.666 ( 0.248 -0.000 -11.754) 11.757 54.191 ( 3.156 -0.000 7.780) 8.396 54.595 ( -5.582 0.000 1.393) 5.753 55.068 ( 0.997 -0.000 0.366) 1.062 55.068 ( 0.626 -0.000 0.470) 0.783 55.382 ( -38.620 0.000 49.950) 63.138 56.684 ( -3.947 0.000 -3.827) 5.498 58.055 ( 1.391 -0.000 0.306) 1.424 58.090 ( 1.020 -0.000 0.417) 1.102 58.095 ( 0.072 -0.000 -0.323) 0.331 58.425 ( 13.324 -0.000 -14.147) 19.434 60.172 ( 0.073 -0.000 0.050) 0.088 60.181 ( -0.028 0.000 -0.083) 0.087 ======================= Grid point 118 (39/124) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 29.553 -15.035 25.539) 41.853 2.090 ( 39.473 -21.475 18.664) 48.658 3.227 ( 38.588 -35.596 45.399) 69.406 4.151 ( 0.928 4.054 -7.843) 8.878 4.246 ( -6.447 1.985 -11.233) 13.103 4.540 ( 12.062 2.779 -17.137) 21.140 4.910 ( -7.874 -4.015 -15.051) 17.454 5.499 ( 16.173 -4.187 27.863) 32.487 5.645 ( -5.344 9.841 -12.297) 16.632 5.822 ( 2.346 -0.018 -7.995) 8.332 6.122 ( -0.396 7.783 -1.277) 7.897 6.346 ( -13.925 -6.814 0.559) 15.512 6.493 ( 7.133 -8.174 8.015) 13.488 6.847 ( -21.608 -7.072 12.210) 25.807 6.960 ( -3.412 4.507 0.983) 5.738 7.183 ( -3.473 -4.004 -10.508) 11.769 7.305 ( -3.774 3.858 -7.975) 9.629 7.658 ( -1.239 8.214 -5.921) 10.201 8.022 ( 2.211 3.656 0.035) 4.273 8.277 ( 2.913 11.016 -2.128) 11.592 8.437 ( 5.084 -3.205 -15.167) 16.314 8.621 ( -4.563 -7.600 -15.859) 18.168 9.060 ( -2.253 16.565 16.417) 23.430 9.354 ( 7.010 -7.738 7.775) 13.018 9.439 ( -15.930 -3.054 2.890) 16.476 9.580 ( 14.017 -3.799 -7.763) 16.468 9.659 ( 7.844 -7.978 0.550) 11.202 9.846 ( 13.338 3.036 13.913) 19.511 9.945 ( 12.510 -10.616 -11.315) 19.930 10.734 ( 4.049 -6.505 2.119) 7.950 11.096 ( -18.586 10.436 16.399) 26.894 11.463 ( -12.919 13.470 13.767) 23.192 11.608 ( 0.457 0.025 -8.189) 8.202 11.705 ( -12.584 -0.266 2.946) 12.927 12.115 ( -4.253 1.442 3.305) 5.576 12.158 ( -3.428 3.178 0.545) 4.706 12.415 ( 1.238 0.138 -0.332) 1.289 12.739 ( 6.744 -1.640 -7.551) 10.256 13.242 ( -8.445 4.302 0.398) 9.486 13.380 ( 0.075 -0.749 4.359) 4.424 13.470 ( -6.363 0.726 6.816) 9.353 14.310 ( -6.757 7.479 -13.249) 16.647 20.196 ( -5.645 -7.967 7.966) 12.601 20.456 ( 3.886 0.951 -3.770) 5.497 20.592 ( -12.244 -0.067 0.072) 12.245 20.898 ( 2.140 1.401 11.314) 11.600 21.228 ( -2.126 5.776 -1.795) 6.411 21.412 ( -1.052 -2.743 -2.065) 3.591 21.506 ( 5.930 -2.471 0.945) 6.494 21.732 ( 5.148 6.083 -11.861) 14.290 21.901 ( 9.973 7.511 -16.094) 20.369 22.057 ( -0.801 4.036 5.089) 6.545 22.315 ( -0.824 -0.159 -7.092) 7.141 22.887 ( -0.722 -0.984 -1.107) 1.648 24.281 ( -0.876 -11.446 2.211) 11.691 24.622 ( -4.085 -3.886 7.193) 9.139 24.934 ( 1.566 -1.250 -0.902) 2.197 25.055 ( 3.254 -3.698 -2.443) 5.498 25.478 ( 5.994 -0.698 0.618) 6.066 25.533 ( 5.211 -0.143 1.822) 5.522 25.716 ( -1.129 0.754 -3.608) 3.855 26.554 ( 12.671 -2.469 -27.529) 30.406 26.836 ( -2.544 0.030 6.417) 6.903 26.921 ( 0.751 0.909 5.384) 5.511 27.385 ( -1.164 0.567 -2.684) 2.980 27.438 ( -2.614 0.192 -2.918) 3.922 38.216 ( 0.193 -0.718 0.244) 0.782 38.230 ( 0.705 0.578 0.158) 0.926 38.298 ( 1.237 -2.080 -0.201) 2.428 38.473 ( 3.389 -1.266 -7.763) 8.564 38.751 ( 0.652 -0.212 0.356) 0.773 38.809 ( 0.537 -0.415 -0.484) 0.834 51.875 ( -1.519 3.126 0.479) 3.508 52.030 ( -1.752 -8.066 -4.630) 9.464 53.001 ( -12.093 3.224 -0.008) 12.516 53.197 ( -5.820 -2.313 7.798) 10.001 53.585 ( 1.046 0.871 -2.159) 2.552 53.668 ( -0.796 -0.751 -13.886) 13.929 54.196 ( 3.071 3.311 6.082) 7.576 54.462 ( -2.856 8.034 5.442) 10.115 54.938 ( 1.287 7.509 3.198) 8.263 55.021 ( -10.005 7.491 38.363) 40.348 55.231 ( 1.168 -9.141 -1.607) 9.354 56.603 ( -4.992 4.009 -4.908) 8.067 58.059 ( 1.064 1.574 0.306) 1.924 58.071 ( 1.085 -0.113 -0.026) 1.091 58.150 ( 1.534 -2.867 0.788) 3.346 58.535 ( 2.097 -1.824 -8.529) 8.970 60.171 ( 0.139 0.206 0.075) 0.260 60.184 ( -0.137 -0.251 -0.113) 0.308 ======================= Grid point 119 (40/124) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 22.486 -20.526 9.740) 31.965 2.897 ( 31.047 -28.377 7.141) 42.663 3.882 ( -5.538 0.101 -1.210) 5.669 4.144 ( 11.436 -8.465 3.128) 14.568 4.478 ( 21.997 -19.475 12.376) 31.879 4.580 ( 4.933 -7.814 -7.300) 11.776 4.982 ( -7.799 -8.388 -28.259) 30.492 5.353 ( -0.841 16.104 -1.223) 16.173 5.698 ( 4.326 9.802 10.825) 15.231 5.723 ( 5.967 -2.417 8.629) 10.766 6.075 ( 1.503 -0.698 -7.121) 7.311 6.310 ( -12.414 -4.319 0.524) 13.155 6.629 ( -6.846 0.601 -3.540) 7.730 6.785 ( -3.901 -3.183 7.944) 9.405 6.865 ( -12.429 -5.590 15.034) 20.291 7.171 ( -1.829 8.201 -9.066) 12.361 7.192 ( -4.566 -0.765 -5.341) 7.068 7.437 ( -2.622 11.889 1.072) 12.222 7.981 ( 6.241 6.226 -1.322) 8.914 8.161 ( 0.882 3.246 8.750) 9.374 8.563 ( 4.268 -4.197 -16.266) 17.332 8.690 ( -5.822 7.239 10.224) 13.814 8.706 ( 1.325 7.245 5.625) 9.268 9.323 ( -17.576 -3.990 11.725) 21.501 9.614 ( 10.277 -7.072 4.126) 13.140 9.773 ( 8.704 -6.094 -5.143) 11.805 9.923 ( 2.698 -13.824 -2.772) 14.355 9.959 ( 15.414 -2.589 9.591) 18.338 10.147 ( 5.912 -1.293 -7.630) 9.739 10.647 ( -14.916 15.893 12.463) 25.108 10.878 ( -1.856 -1.924 2.417) 3.604 11.174 ( -1.868 4.371 6.783) 8.283 11.616 ( -0.256 -0.526 -5.604) 5.634 11.700 ( -1.711 -2.571 -9.889) 10.360 12.043 ( -4.317 1.524 1.695) 4.882 12.072 ( -3.213 3.063 0.670) 4.489 12.350 ( -0.828 10.571 1.547) 10.716 12.782 ( -3.281 0.793 -5.520) 6.470 13.087 ( -4.907 -1.432 -6.335) 8.140 13.410 ( 2.068 -1.958 4.188) 5.064 13.480 ( 0.875 -1.840 2.144) 2.958 14.075 ( -6.372 11.289 -13.177) 18.484 20.268 ( -6.311 -7.189 4.650) 10.637 20.442 ( -5.679 1.353 1.010) 5.925 20.501 ( -3.367 -0.445 -3.996) 5.245 20.882 ( 1.512 2.436 5.659) 6.344 21.113 ( -0.969 5.449 -1.550) 5.748 21.434 ( -1.443 -1.284 -2.543) 3.194 21.606 ( 4.817 -2.464 2.855) 6.118 21.679 ( 4.517 5.261 -4.172) 8.093 21.849 ( 3.670 5.906 -9.405) 11.696 21.965 ( 1.535 6.564 8.070) 10.515 22.308 ( -1.908 -0.929 -6.066) 6.427 22.896 ( -1.176 -1.043 -0.758) 1.745 24.453 ( -1.228 -9.667 0.055) 9.745 24.662 ( -0.757 -3.511 4.029) 5.397 24.983 ( 2.005 -2.387 -1.228) 3.350 25.162 ( 3.152 -4.433 -2.760) 6.100 25.474 ( 1.992 3.281 -2.681) 4.682 25.653 ( 7.165 -3.136 4.151) 8.854 25.684 ( -1.235 1.661 -3.286) 3.883 26.622 ( 2.711 1.738 -16.322) 16.637 26.817 ( -2.321 -0.751 6.751) 7.178 26.915 ( 0.917 0.300 5.540) 5.624 27.355 ( -1.819 1.368 -1.841) 2.927 27.407 ( -2.276 0.368 -2.535) 3.426 38.224 ( 1.016 0.030 0.479) 1.124 38.250 ( 0.364 -1.638 0.096) 1.681 38.343 ( 1.408 -1.412 -0.320) 2.020 38.495 ( 0.012 0.324 -4.551) 4.562 38.763 ( 0.699 -0.362 0.350) 0.861 38.824 ( 0.545 -0.583 -0.511) 0.947 51.791 ( -1.164 4.759 0.844) 4.971 52.151 ( -2.525 -8.013 -8.903) 12.241 52.837 ( -11.022 2.107 0.095) 11.222 53.197 ( -2.678 -2.609 6.017) 7.085 53.561 ( -0.077 2.340 -0.801) 2.474 53.676 ( -1.588 -1.523 -14.190) 14.359 54.130 ( 1.602 6.448 5.480) 8.612 54.349 ( 3.565 5.115 3.603) 7.200 54.829 ( 0.947 6.494 10.114) 12.056 54.887 ( -3.057 2.491 23.771) 24.096 55.407 ( 1.547 -9.639 -3.081) 10.237 56.457 ( -5.026 6.734 -5.936) 10.288 58.051 ( 1.039 0.570 0.386) 1.246 58.090 ( 1.907 -0.206 -0.262) 1.936 58.215 ( 1.111 -2.949 1.316) 3.416 58.542 ( -1.804 0.553 -4.389) 4.778 60.169 ( 0.152 0.183 0.099) 0.258 60.185 ( -0.289 -0.196 -0.143) 0.377 ======================= Grid point 120 (41/124) ======================= q-point: ( 0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 5.389 -14.342 1.671) 15.412 3.514 ( 11.240 -14.073 3.975) 18.444 3.956 ( 9.706 -17.063 -8.078) 21.228 4.365 ( 10.089 -4.522 -4.943) 12.111 4.515 ( 1.952 2.358 -10.903) 11.325 4.837 ( -2.599 14.899 -18.747) 24.087 5.158 ( 8.597 -3.900 0.618) 9.460 5.333 ( 3.841 -12.439 10.032) 16.436 5.599 ( -7.234 -11.140 7.816) 15.412 5.822 ( 9.924 6.888 21.160) 24.365 6.070 ( -3.667 -1.902 -5.592) 6.952 6.298 ( 2.220 -0.398 -3.813) 4.430 6.492 ( -15.287 -1.137 -5.732) 16.366 6.676 ( -5.336 5.711 9.510) 12.310 6.938 ( -4.027 -1.928 7.084) 8.374 6.979 ( -1.109 2.357 4.522) 5.218 7.174 ( 3.513 2.139 -5.430) 6.812 7.276 ( -5.022 3.814 -5.017) 8.059 7.992 ( 10.288 0.990 -0.848) 10.371 8.143 ( -1.770 -0.606 10.194) 10.364 8.345 ( 3.250 18.792 34.077) 39.050 8.580 ( -14.917 -1.890 -8.035) 17.048 8.850 ( 9.081 -7.651 -5.374) 13.034 9.233 ( -12.125 -3.028 12.609) 17.753 9.609 ( 0.155 11.248 -10.971) 15.713 9.934 ( 7.512 5.897 10.282) 14.033 10.118 ( -2.334 -3.054 -0.740) 3.914 10.193 ( 0.633 -9.564 -6.059) 11.340 10.278 ( -5.840 1.623 12.278) 13.692 10.314 ( 11.753 -13.693 6.930) 19.330 10.891 ( 5.318 0.363 -0.684) 5.374 11.220 ( 3.791 -3.738 -9.576) 10.956 11.618 ( -1.600 -0.493 -3.193) 3.606 11.717 ( -0.501 -0.209 -6.661) 6.683 11.935 ( -7.351 15.353 2.077) 17.148 11.993 ( -3.849 -0.690 -0.461) 3.937 12.055 ( -4.801 8.672 6.749) 11.991 12.737 ( -2.940 -1.157 -2.640) 4.117 13.172 ( 2.456 -5.623 -15.204) 16.396 13.461 ( 1.272 -1.066 1.650) 2.341 13.529 ( 1.927 -2.311 1.360) 3.302 13.825 ( -4.528 10.538 -13.236) 17.514 20.319 ( -5.448 -4.792 1.504) 7.410 20.355 ( -8.495 -1.542 1.910) 8.842 20.501 ( 0.458 -0.349 -4.961) 4.994 20.847 ( 0.906 2.906 0.077) 3.045 21.029 ( 0.873 4.103 -2.414) 4.840 21.432 ( -1.076 -0.142 -2.329) 2.569 21.629 ( 4.986 6.046 2.575) 8.249 21.675 ( 2.427 -0.486 4.445) 5.088 21.783 ( -0.212 3.239 -5.496) 6.383 21.878 ( 1.799 4.895 9.071) 10.463 22.315 ( -1.778 -1.961 -4.746) 5.434 22.900 ( -0.936 -0.664 -0.679) 1.333 24.595 ( -1.382 -8.418 0.887) 8.577 24.725 ( 1.259 -3.154 1.663) 3.781 25.052 ( 2.055 -3.020 -1.465) 3.935 25.252 ( 2.207 -2.416 -2.078) 3.877 25.423 ( 0.923 3.828 -4.744) 6.165 25.628 ( -1.268 3.439 -3.402) 5.001 25.746 ( 4.258 -0.673 4.278) 6.073 26.596 ( -0.072 1.801 -11.488) 11.629 26.814 ( -1.748 -1.122 7.023) 7.324 26.937 ( 1.369 -1.466 5.494) 5.849 27.301 ( -2.356 2.167 -0.075) 3.202 27.385 ( -1.197 0.165 -2.601) 2.868 38.240 ( 1.240 -0.513 0.552) 1.451 38.284 ( 0.550 -1.690 0.040) 1.778 38.371 ( 1.148 -0.243 -0.446) 1.255 38.475 ( -1.343 0.780 -2.478) 2.924 38.776 ( 0.547 -0.316 0.363) 0.729 38.838 ( 0.431 -0.476 -0.531) 0.833 51.700 ( -0.578 4.474 1.424) 4.731 52.252 ( -1.867 -6.122 -11.027) 12.750 52.718 ( -8.672 0.136 0.608) 8.694 53.233 ( -0.231 -3.165 3.104) 4.439 53.509 ( -0.559 3.178 1.099) 3.409 53.686 ( -2.062 -1.662 -13.864) 14.115 54.037 ( 1.400 5.514 4.464) 7.231 54.324 ( 4.337 3.178 -1.577) 5.603 54.738 ( 0.195 4.656 17.608) 18.215 54.836 ( -1.194 1.355 16.805) 16.902 55.595 ( 1.938 -10.096 -4.227) 11.115 56.279 ( -4.406 8.291 -6.312) 11.313 58.057 ( 1.102 0.056 0.498) 1.211 58.113 ( 2.762 0.396 -0.349) 2.812 58.271 ( 0.231 -2.795 1.142) 3.028 58.498 ( -3.070 1.224 -2.371) 4.067 60.167 ( 0.074 0.132 0.109) 0.187 60.185 ( -0.355 -0.142 -0.152) 0.411 ======================= Grid point 121 (42/124) ======================= q-point: ( 0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -7.623 -8.159 -10.143) 15.085 3.831 ( 9.234 -13.107 6.865) 17.441 4.323 ( -5.312 -1.282 -10.276) 11.639 4.395 ( 2.654 8.357 -1.897) 8.971 4.446 ( 6.337 1.592 -5.700) 8.671 4.758 ( 17.369 -0.800 -5.526) 18.245 5.241 ( 9.235 2.625 -5.457) 11.043 5.366 ( -2.765 0.226 6.315) 6.897 5.601 ( -9.488 10.146 14.632) 20.176 5.755 ( -12.220 -7.149 11.586) 18.293 6.188 ( 6.899 -3.732 1.357) 7.961 6.282 ( -8.167 -3.883 -3.001) 9.528 6.442 ( 0.025 -4.893 -13.937) 14.771 6.583 ( -2.790 3.944 1.134) 4.963 6.992 ( 1.782 -3.205 5.759) 6.828 7.001 ( 0.299 -2.310 11.237) 11.476 7.151 ( 2.139 0.660 1.315) 2.596 7.242 ( 3.011 -1.612 -9.147) 9.763 8.028 ( -2.335 8.440 16.887) 19.022 8.144 ( -0.576 1.102 16.011) 16.059 8.204 ( 7.524 -3.052 3.401) 8.803 8.385 ( -9.566 5.858 4.670) 12.151 9.081 ( 7.718 -6.285 -1.996) 10.152 9.217 ( -7.308 -7.462 17.465) 20.350 9.381 ( -3.415 7.661 -10.083) 13.116 9.728 ( -1.787 15.438 1.468) 15.610 10.014 ( -0.536 5.650 16.824) 17.755 10.286 ( -4.506 -8.050 -12.204) 15.299 10.459 ( -2.256 -9.805 4.237) 10.917 10.707 ( 9.048 -12.724 8.123) 17.600 10.977 ( 12.592 -0.552 -5.869) 13.903 11.306 ( 2.478 -1.606 -14.325) 14.626 11.438 ( -7.656 19.346 6.584) 21.823 11.653 ( -1.372 -0.125 -1.446) 1.998 11.705 ( -0.176 1.001 -2.448) 2.651 11.971 ( -2.231 0.633 3.974) 4.601 11.996 ( -2.800 -2.135 -1.081) 3.683 12.756 ( 0.795 -2.015 -3.250) 3.906 13.265 ( 0.899 -2.503 -15.355) 15.584 13.465 ( 0.339 1.128 -2.317) 2.599 13.580 ( 0.213 -1.349 0.821) 1.593 13.652 ( -1.500 5.205 -11.695) 12.889 20.297 ( -5.575 -2.497 1.981) 6.422 20.374 ( -3.113 -4.094 -1.207) 5.283 20.524 ( -0.312 -2.447 -5.281) 5.829 20.808 ( 1.307 2.671 -2.687) 4.007 20.987 ( 2.215 2.638 -6.062) 6.972 21.424 ( -0.547 0.015 -0.749) 0.927 21.563 ( 3.026 5.812 8.727) 10.913 21.657 ( 0.892 3.687 2.940) 4.799 21.754 ( -0.343 0.426 5.772) 5.798 21.839 ( -0.428 0.643 2.374) 2.496 22.336 ( -0.914 -1.898 -3.545) 4.124 22.905 ( -0.052 -0.625 -0.812) 1.026 24.715 ( -0.936 -6.461 1.193) 6.636 24.779 ( 1.179 -1.210 0.113) 1.693 25.120 ( 1.769 -2.365 -1.223) 3.197 25.263 ( -0.273 2.475 -0.581) 2.557 25.400 ( 1.315 -0.714 -6.680) 6.845 25.542 ( -1.359 4.717 -3.779) 6.194 25.765 ( 1.442 1.371 4.462) 4.885 26.575 ( -0.248 0.265 -10.352) 10.358 26.820 ( -0.991 -1.095 7.155) 7.305 26.979 ( 0.697 -1.394 5.087) 5.321 27.251 ( -0.832 1.075 1.428) 1.972 27.375 ( -0.717 -0.067 -2.559) 2.658 38.257 ( 0.662 -0.041 0.504) 0.833 38.317 ( 0.761 -1.273 -0.118) 1.488 38.369 ( 0.324 1.188 -0.380) 1.289 38.457 ( -0.922 -0.372 -1.496) 1.796 38.783 ( 0.245 -0.043 0.375) 0.450 38.847 ( 0.229 -0.154 -0.548) 0.614 51.634 ( -0.022 2.551 1.954) 3.214 52.325 ( -0.537 -3.810 -12.907) 13.468 52.665 ( -5.663 -2.288 1.190) 6.222 53.294 ( 1.356 -2.971 -0.730) 3.347 53.450 ( -0.458 2.648 5.196) 5.850 53.692 ( -2.009 -1.426 -13.279) 13.505 53.973 ( 0.950 3.285 2.993) 4.545 54.309 ( 2.885 2.960 -5.755) 7.085 54.673 ( -0.612 2.632 22.467) 22.629 54.815 ( 0.108 0.383 14.763) 14.768 55.793 ( 2.264 -10.323 -5.129) 11.747 56.090 ( -3.462 8.896 -6.139) 11.349 58.065 ( 0.717 0.242 0.572) 0.949 58.125 ( 2.754 1.516 -0.266) 3.155 58.314 ( -0.405 -1.941 0.629) 2.080 58.456 ( -2.520 -0.176 -1.432) 2.904 60.165 ( -0.034 0.083 0.121) 0.151 60.184 ( -0.279 -0.195 -0.158) 0.375 ======================= Grid point 122 (43/124) ======================= q-point: (-0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -6.900 -10.486 -16.684) 20.879 3.921 ( -1.173 27.912 -4.322) 28.269 4.074 ( 3.947 -4.412 4.451) 7.407 4.320 ( -3.501 13.365 5.235) 14.775 4.519 ( 3.610 -6.021 8.445) 10.982 4.877 ( 5.921 8.620 0.210) 10.460 5.144 ( -10.314 -2.629 12.634) 16.520 5.314 ( -8.132 3.400 4.509) 9.901 5.527 ( 11.707 -1.823 -10.654) 15.934 5.826 ( -0.782 -8.213 4.809) 9.550 6.262 ( -3.764 3.288 -10.733) 11.840 6.326 ( 0.074 -6.138 2.653) 6.687 6.451 ( 0.812 -0.065 -4.586) 4.658 6.629 ( 4.686 -7.560 -9.672) 13.140 6.965 ( -4.503 -0.069 3.526) 5.719 6.989 ( -5.095 -1.670 -2.698) 6.002 7.247 ( 10.549 5.140 4.571) 12.593 7.317 ( 6.353 -2.462 4.499) 8.165 7.777 ( -13.421 7.276 0.490) 15.274 8.066 ( -0.641 4.180 28.244) 28.559 8.191 ( -0.910 2.577 20.534) 20.715 8.577 ( 8.334 -17.301 -7.169) 20.498 9.038 ( -3.375 7.135 0.623) 7.917 9.323 ( -5.125 -4.588 6.614) 9.543 9.462 ( 7.747 -9.319 8.851) 15.006 9.526 ( 2.338 3.780 -4.971) 6.668 9.932 ( -2.100 0.065 17.559) 17.684 10.303 ( -6.890 0.457 -11.588) 13.490 10.478 ( -7.941 3.394 -0.264) 8.640 10.776 ( -0.423 7.850 5.937) 9.851 10.977 ( 4.247 10.391 0.660) 11.245 11.312 ( -0.543 3.174 -15.932) 16.255 11.405 ( 12.364 -14.756 3.900) 19.642 11.678 ( 0.831 -2.015 -3.150) 3.831 11.694 ( 0.227 0.120 -1.583) 1.604 11.952 ( -2.062 -1.213 6.255) 6.697 12.016 ( -1.759 -2.483 -2.669) 4.048 12.819 ( 4.397 -2.110 -4.032) 6.328 13.262 ( -2.323 2.250 -14.964) 15.309 13.458 ( 0.316 -0.818 -3.702) 3.804 13.550 ( -2.213 2.083 -0.405) 3.066 13.632 ( 0.803 -1.526 -8.327) 8.503 20.316 ( -1.858 -3.625 1.815) 4.460 20.410 ( -1.449 -2.872 -3.332) 4.632 20.585 ( 0.731 -4.343 -4.172) 6.067 20.790 ( 1.876 0.858 -3.488) 4.053 20.975 ( 2.458 1.746 -10.497) 10.921 21.417 ( -0.894 0.509 2.164) 2.396 21.505 ( 1.161 2.786 8.508) 9.027 21.610 ( 0.109 1.612 9.103) 9.246 21.729 ( -1.623 1.508 11.157) 11.375 21.838 ( -1.143 -1.154 -4.836) 5.102 22.357 ( -0.071 -0.926 -2.774) 2.926 22.922 ( 0.941 -0.773 -1.141) 1.669 24.767 ( -0.747 1.499 -0.501) 1.748 24.793 ( 0.485 -0.978 0.208) 1.111 25.138 ( 0.352 2.762 -1.112) 2.998 25.234 ( -0.206 -1.639 -0.319) 1.682 25.413 ( -0.540 3.069 -7.520) 8.141 25.490 ( 0.038 -2.484 -2.447) 3.487 25.738 ( -0.610 2.075 4.692) 5.167 26.578 ( 0.179 -0.377 -11.038) 11.046 26.832 ( -0.286 -0.965 6.988) 7.060 26.976 ( -0.934 1.423 5.404) 5.666 27.267 ( 1.854 -2.088 1.400) 3.124 27.373 ( -0.599 -0.510 -2.392) 2.518 38.249 ( -0.476 1.040 0.505) 1.250 38.327 ( 0.351 1.202 -0.688) 1.429 38.359 ( 0.087 -0.286 0.206) 0.363 38.469 ( 0.253 -1.145 -1.487) 1.893 38.782 ( -0.074 0.336 0.374) 0.508 38.847 ( 0.013 0.257 -0.565) 0.621 51.616 ( 0.393 -0.306 2.164) 2.221 52.371 ( 0.836 -1.216 -15.251) 15.322 52.685 ( -2.793 -4.750 1.706) 5.768 53.342 ( 2.450 0.333 -4.081) 4.772 53.431 ( 0.231 -1.322 10.560) 10.645 53.695 ( -1.880 -0.995 -12.667) 12.844 53.943 ( 0.234 0.879 2.440) 2.604 54.275 ( 0.830 3.131 -6.814) 7.545 54.638 ( -1.122 0.321 22.499) 22.529 54.825 ( 1.039 -0.797 15.534) 15.589 55.888 ( -1.823 8.324 -5.477) 10.130 56.012 ( 1.788 -9.666 -5.960) 11.496 58.059 ( -0.159 0.743 0.541) 0.933 58.116 ( 2.020 2.190 -0.254) 2.990 58.316 ( -1.660 0.392 0.741) 1.860 58.473 ( 0.100 -2.902 -1.582) 3.306 60.163 ( -0.144 0.056 0.157) 0.220 60.187 ( -0.081 -0.292 -0.191) 0.359 ======================= Grid point 123 (44/124) ======================= q-point: (-0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -7.503 9.628 -7.119) 14.131 3.424 ( 6.661 21.268 0.540) 22.294 3.830 ( -15.120 19.294 4.547) 24.931 4.153 ( -1.716 4.480 12.451) 13.343 4.564 ( 4.157 5.881 3.300) 7.921 4.810 ( -3.667 -3.481 7.719) 9.228 5.085 ( -8.219 8.181 1.530) 11.697 5.286 ( -3.284 -9.332 8.627) 13.126 5.635 ( 2.095 -1.045 -8.049) 8.383 5.724 ( -5.378 19.611 -12.068) 23.646 6.171 ( 3.653 -5.070 -9.099) 11.039 6.458 ( 9.868 3.493 0.587) 10.485 6.601 ( 2.092 -13.939 0.820) 14.119 6.791 ( 1.715 -5.919 -3.874) 7.278 6.954 ( 1.698 -3.233 0.921) 3.766 7.004 ( -3.566 -5.239 -7.259) 9.636 7.259 ( 7.682 1.484 -4.363) 8.959 7.444 ( 9.270 -3.509 12.178) 15.701 7.602 ( -10.139 -0.152 -3.702) 10.795 8.009 ( -5.712 0.143 29.854) 30.396 8.191 ( 2.953 -3.123 27.430) 27.765 8.692 ( -6.640 7.492 -7.160) 12.308 9.120 ( 6.520 -14.985 -7.714) 18.071 9.278 ( -0.866 2.845 -2.408) 3.826 9.453 ( -1.209 3.752 4.031) 5.638 9.768 ( 7.207 -10.719 19.864) 23.694 10.075 ( 0.542 -11.231 5.098) 12.346 10.127 ( -4.479 6.064 -3.411) 8.274 10.236 ( -9.911 10.905 -8.296) 16.911 10.554 ( -0.483 16.820 8.624) 18.908 10.925 ( 3.984 0.873 3.461) 5.349 11.204 ( -2.583 6.774 -14.257) 15.994 11.660 ( 1.921 0.436 -6.119) 6.428 11.717 ( 0.095 -1.122 -4.965) 5.091 11.857 ( 7.531 -17.894 2.465) 19.570 11.982 ( -1.240 -4.793 6.459) 8.138 12.051 ( -0.020 -2.955 -1.479) 3.304 12.902 ( 6.695 -0.185 -4.979) 8.345 13.157 ( -5.073 4.086 -12.893) 14.445 13.473 ( -0.019 3.102 1.422) 3.412 13.497 ( -1.334 -0.826 1.585) 2.230 13.725 ( 1.126 -9.060 -12.029) 15.101 20.354 ( -0.505 -1.355 -2.432) 2.829 20.469 ( -0.207 -5.438 -0.214) 5.446 20.668 ( 5.988 -0.608 -1.348) 6.168 20.831 ( 0.815 -4.309 -3.835) 5.825 20.968 ( 0.878 1.097 -12.284) 12.364 21.365 ( -4.541 2.347 7.970) 9.469 21.496 ( 2.407 1.062 -0.010) 2.631 21.614 ( -1.314 -1.248 9.996) 10.159 21.683 ( -2.507 -0.623 16.259) 16.463 21.851 ( -0.477 -1.261 -7.679) 7.797 22.364 ( 0.358 0.214 -2.734) 2.766 22.945 ( 1.364 -0.447 -1.550) 2.112 24.688 ( -1.042 5.813 -1.352) 6.058 24.797 ( 0.917 1.017 -0.031) 1.370 25.068 ( -0.739 4.055 -1.646) 4.438 25.277 ( 0.771 -0.789 0.590) 1.251 25.344 ( -1.536 1.684 -6.414) 6.807 25.566 ( -0.062 -4.796 -2.467) 5.393 25.682 ( -1.781 2.992 4.514) 5.701 26.584 ( 0.051 0.052 -13.085) 13.085 26.847 ( 0.237 -0.854 6.569) 6.628 26.933 ( -0.722 2.067 6.266) 6.638 27.332 ( 2.120 -2.172 -0.564) 3.087 27.386 ( -0.258 -1.793 -1.665) 2.461 38.222 ( -0.762 1.057 0.566) 1.420 38.302 ( -0.043 1.562 -0.619) 1.681 38.358 ( -0.169 0.717 0.119) 0.746 38.495 ( 0.677 -1.080 -2.331) 2.656 38.771 ( -0.253 0.614 0.360) 0.756 38.839 ( -0.123 0.604 -0.573) 0.842 51.653 ( 0.652 -3.259 1.998) 3.877 52.381 ( 1.699 1.557 -17.882) 18.030 52.769 ( -0.656 -6.770 2.194) 7.146 53.353 ( 4.056 1.015 2.025) 4.645 53.482 ( 0.731 -3.033 7.250) 7.892 53.684 ( -2.514 -0.057 -11.884) 12.147 53.949 ( -0.300 -1.768 3.943) 4.331 54.223 ( -0.854 2.568 -4.318) 5.096 54.643 ( -1.095 -2.276 18.010) 18.186 54.859 ( 1.319 -1.759 17.879) 18.014 55.711 ( -1.344 9.531 -4.867) 10.786 56.215 ( 2.058 -10.678 -6.184) 12.510 58.041 ( -0.657 0.705 0.443) 1.060 58.093 ( 1.002 2.053 -0.317) 2.306 58.282 ( -1.457 1.597 1.277) 2.511 58.534 ( 1.136 -2.868 -2.654) 4.069 60.161 ( -0.181 -0.016 0.208) 0.276 60.192 ( 0.070 -0.219 -0.243) 0.334 ======================= Grid point 124 (45/124) ======================= q-point: (-0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -1.923 39.584 19.014) 43.956 2.981 ( -4.943 39.981 11.046) 41.772 3.720 ( -5.240 -14.481 -9.925) 18.320 4.052 ( 0.420 4.577 4.356) 6.332 4.330 ( -18.245 38.081 24.403) 48.771 4.514 ( 2.976 10.104 3.928) 11.241 5.021 ( -5.214 -10.257 -0.241) 11.508 5.403 ( -0.175 3.890 -29.628) 29.883 5.512 ( 3.881 0.314 6.096) 7.233 5.665 ( -0.808 -7.704 -6.231) 9.942 6.278 ( 5.973 3.096 -8.053) 10.493 6.445 ( 2.384 3.471 5.045) 6.572 6.674 ( -1.813 3.728 10.334) 11.135 7.004 ( 0.874 -12.834 -6.027) 14.206 7.110 ( 9.126 -6.570 -7.603) 13.574 7.133 ( -0.011 -11.864 -5.945) 13.270 7.307 ( 3.587 -0.674 -3.683) 5.185 7.542 ( -8.386 -5.411 -4.628) 11.001 7.646 ( 15.294 -2.525 15.941) 22.235 7.929 ( -11.951 -1.327 18.209) 21.821 8.377 ( 2.935 -13.535 26.963) 30.312 8.477 ( -4.980 6.575 -10.552) 13.393 9.210 ( 4.708 9.034 -12.564) 16.175 9.306 ( -5.363 -6.832 8.071) 11.857 9.509 ( 6.002 -6.777 -4.769) 10.232 9.770 ( -2.290 12.917 6.726) 14.742 9.902 ( -10.043 16.122 -11.140) 22.020 9.998 ( 3.657 0.123 -3.752) 5.241 10.182 ( -1.661 21.376 10.207) 23.746 10.522 ( 2.355 -26.141 13.683) 29.599 11.008 ( 2.770 3.777 -4.308) 6.363 11.092 ( -0.922 -7.264 9.925) 12.334 11.652 ( 1.748 1.537 -11.574) 11.806 11.708 ( -2.078 0.926 -9.203) 9.480 12.044 ( 0.167 -4.979 4.363) 6.622 12.116 ( 0.992 -4.159 1.221) 4.447 12.222 ( 3.113 -13.852 1.705) 14.299 12.864 ( -0.211 9.010 -7.611) 11.796 13.148 ( 1.154 -6.384 -5.008) 8.195 13.402 ( -0.853 2.912 2.624) 4.012 13.506 ( 0.450 -0.106 4.021) 4.047 13.953 ( 1.234 -14.704 -12.172) 19.128 20.360 ( -0.653 -0.531 -5.480) 5.544 20.581 ( 0.587 -6.717 3.344) 7.526 20.724 ( 11.357 3.590 -0.680) 11.930 20.900 ( -2.042 -0.015 -3.288) 3.870 20.987 ( -1.404 -6.645 -9.825) 11.944 21.255 ( -6.949 3.460 9.318) 12.127 21.494 ( 2.066 2.235 0.495) 3.084 21.553 ( -3.367 3.000 3.669) 5.813 21.776 ( 0.391 -8.787 15.311) 17.658 21.868 ( -0.349 -1.053 -7.598) 7.678 22.357 ( 0.327 0.915 -3.644) 3.771 22.956 ( 0.913 0.654 -1.858) 2.171 24.562 ( -0.879 7.308 -1.564) 7.525 24.798 ( 1.807 -0.031 -0.732) 1.950 24.996 ( -0.586 3.371 -1.235) 3.637 25.244 ( 1.768 3.902 -4.729) 6.381 25.343 ( -2.508 -1.562 0.308) 2.971 25.573 ( -2.203 4.700 3.456) 6.236 25.659 ( 0.136 -3.016 -2.123) 3.690 26.565 ( -0.837 2.339 -17.561) 17.736 26.865 ( 0.528 -0.775 6.111) 6.182 26.900 ( -0.292 1.207 6.421) 6.540 27.368 ( 0.531 -1.012 -2.442) 2.697 27.431 ( 0.675 -2.511 -1.333) 2.922 38.203 ( -0.419 0.352 0.536) 0.766 38.276 ( 0.032 1.384 -0.540) 1.486 38.331 ( -0.473 1.885 0.049) 1.944 38.509 ( 0.266 0.349 -4.269) 4.292 38.758 ( -0.212 0.648 0.361) 0.771 38.826 ( -0.125 0.784 -0.562) 0.973 51.735 ( 0.598 -5.246 1.610) 5.520 52.347 ( 1.567 4.527 -19.869) 20.439 52.898 ( 0.562 -8.067 2.657) 8.512 53.404 ( 5.957 -1.095 4.411) 7.493 53.537 ( 0.870 -2.387 5.204) 5.791 53.639 ( -4.382 1.419 -8.822) 9.952 54.000 ( -0.411 -4.448 6.555) 7.932 54.187 ( -1.307 -0.466 0.873) 1.640 54.695 ( -0.658 -4.741 12.075) 12.989 54.911 ( 1.057 -2.916 22.151) 22.367 55.537 ( -0.589 9.493 -4.032) 10.330 56.412 ( 1.376 -9.894 -5.865) 11.584 58.027 ( -0.502 0.154 0.327) 0.619 58.069 ( 0.206 1.390 -0.293) 1.435 58.232 ( -0.815 2.831 1.449) 3.282 58.581 ( 0.798 -1.122 -4.694) 4.892 60.161 ( -0.120 -0.122 0.233) 0.289 60.194 ( 0.081 0.034 -0.264) 0.279 ======================= Grid point 125 (46/124) ======================= q-point: (-0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -0.000 38.846 30.101) 49.144 2.185 ( -0.000 46.218 20.258) 50.463 3.348 ( -0.000 55.348 48.211) 73.401 3.928 ( 0.000 -8.228 -14.385) 16.572 4.106 ( 0.000 -10.285 -5.423) 11.627 4.431 ( -0.000 2.915 2.485) 3.830 5.002 ( -0.000 7.351 -7.371) 10.411 5.441 ( -0.000 7.661 6.077) 9.779 5.509 ( 0.000 -14.900 -22.670) 27.128 5.880 ( 0.000 -11.829 -10.818) 16.030 6.148 ( -0.000 14.539 4.745) 15.294 6.362 ( -0.000 5.899 2.789) 6.525 6.643 ( 0.000 -2.241 15.496) 15.657 7.028 ( -0.000 7.928 -15.594) 17.494 7.262 ( 0.000 -3.080 -10.760) 11.192 7.366 ( 0.000 -11.355 -8.111) 13.954 7.461 ( 0.000 -13.110 -4.579) 13.886 7.497 ( -0.000 8.178 14.525) 16.670 7.854 ( 0.000 -12.558 5.144) 13.571 7.883 ( 0.000 -3.698 3.447) 5.056 8.369 ( -0.000 1.749 -16.582) 16.674 8.719 ( 0.000 -21.245 22.692) 31.085 9.049 ( -0.000 11.580 -14.228) 18.345 9.387 ( 0.000 -0.493 -1.487) 1.567 9.475 ( -0.000 23.423 -10.033) 25.481 9.567 ( -0.000 1.265 8.975) 9.063 9.661 ( 0.000 -1.889 -0.637) 1.993 9.801 ( -0.000 19.520 12.615) 23.242 9.937 ( -0.000 9.326 -14.018) 16.837 10.844 ( -0.000 10.850 -4.746) 11.842 11.021 ( 0.000 -27.440 22.205) 35.299 11.393 ( 0.000 -16.548 15.648) 22.775 11.655 ( -0.000 2.321 -11.031) 11.273 11.708 ( 0.000 -11.521 -5.056) 12.581 12.125 ( 0.000 -4.056 3.401) 5.294 12.192 ( 0.000 -3.717 3.625) 5.192 12.423 ( 0.000 -8.311 3.193) 8.903 12.691 ( -0.000 8.993 -4.263) 9.952 13.252 ( 0.000 -2.286 -2.407) 3.320 13.389 ( 0.000 -1.055 2.190) 2.431 13.544 ( 0.000 -5.895 7.257) 9.350 14.217 ( 0.000 -14.090 -12.156) 18.609 20.369 ( 0.000 -0.873 -6.261) 6.322 20.696 ( 0.000 -5.866 6.178) 8.519 20.748 ( -0.000 8.710 0.544) 8.727 20.819 ( 0.000 -0.089 -8.886) 8.886 21.102 ( 0.000 -2.349 1.436) 2.754 21.155 ( 0.000 -1.321 3.393) 3.641 21.438 ( -0.000 4.174 2.686) 4.963 21.500 ( -0.000 2.068 -1.124) 2.354 21.873 ( 0.000 -0.117 -7.534) 7.535 21.947 ( 0.000 -9.528 10.955) 14.519 22.341 ( -0.000 1.120 -5.459) 5.572 22.938 ( -0.000 1.884 -1.916) 2.687 24.428 ( -0.000 7.610 -1.780) 7.815 24.835 ( 0.000 -2.693 -2.098) 3.413 24.944 ( -0.000 2.302 -0.517) 2.359 25.208 ( -0.000 2.121 -5.993) 6.358 25.320 ( -0.000 1.642 3.526) 3.890 25.451 ( -0.000 7.041 2.973) 7.643 25.707 ( 0.000 -2.105 -3.316) 3.927 26.447 ( -0.000 12.228 -27.054) 29.689 26.883 ( 0.000 -0.788 5.760) 5.814 26.885 ( -0.000 0.084 6.444) 6.444 27.388 ( 0.000 -1.004 -2.699) 2.880 27.469 ( 0.000 -1.273 -2.495) 2.801 38.201 ( 0.000 -0.303 0.396) 0.499 38.255 ( -0.000 1.097 -0.412) 1.172 38.291 ( -0.000 2.134 -0.097) 2.136 38.476 ( -0.000 3.832 -7.421) 8.352 38.747 ( -0.000 0.457 0.388) 0.600 38.811 ( -0.000 0.742 -0.536) 0.915 51.833 ( 0.000 -5.285 1.211) 5.422 52.247 ( -0.000 8.156 -18.844) 20.533 53.048 ( 0.000 -8.516 2.335) 8.830 53.486 ( 0.000 -2.720 -1.035) 2.910 53.540 ( -0.000 4.874 -6.251) 7.927 53.598 ( 0.000 -3.062 5.574) 6.359 54.076 ( 0.000 -3.972 7.713) 8.676 54.272 ( 0.000 -12.116 10.719) 16.177 54.791 ( 0.000 -6.624 6.943) 9.596 55.002 ( 0.000 -8.730 33.021) 34.156 55.372 ( -0.000 9.341 -2.967) 9.801 56.575 ( 0.000 -7.941 -4.867) 9.314 58.026 ( 0.000 -0.302 0.189) 0.356 58.051 ( -0.000 0.720 -0.180) 0.742 58.172 ( -0.000 3.415 1.031) 3.567 58.573 ( -0.000 3.106 -8.730) 9.266 60.163 ( 0.000 -0.228 0.199) 0.303 60.192 ( -0.000 0.290 -0.227) 0.368 ======================= Grid point 128 (47/124) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 36.170 -0.000 30.536) 47.337 2.334 ( 41.676 -0.000 21.832) 47.048 3.320 ( 43.377 -0.000 28.938) 52.144 4.058 ( -19.130 0.000 10.475) 21.810 4.244 ( -1.620 0.000 -28.296) 28.342 4.726 ( 19.432 -0.000 -21.993) 29.348 4.765 ( -13.066 0.000 -17.503) 21.842 5.642 ( 17.624 -0.000 20.376) 26.940 5.720 ( -1.688 0.000 -2.033) 2.643 5.926 ( 13.665 -0.000 1.159) 13.714 6.044 ( -14.994 0.000 -3.405) 15.376 6.248 ( -6.253 0.000 2.269) 6.652 6.454 ( 3.897 -0.000 11.703) 12.335 6.491 ( -25.406 0.000 22.008) 33.613 7.040 ( -4.825 0.000 -6.283) 7.922 7.093 ( -0.306 0.000 -11.607) 11.611 7.315 ( -2.970 0.000 -9.793) 10.234 7.726 ( 0.545 -0.000 -6.474) 6.497 8.075 ( 1.559 -0.000 -1.264) 2.007 8.387 ( 2.601 -0.000 -8.179) 8.583 8.450 ( 3.416 -0.000 -6.948) 7.743 8.540 ( -1.056 0.000 -13.224) 13.266 9.150 ( -21.700 0.000 11.370) 24.498 9.210 ( 3.314 -0.000 7.943) 8.607 9.448 ( 2.020 -0.000 7.250) 7.526 9.537 ( 3.887 -0.000 1.457) 4.151 9.868 ( 18.146 -0.000 -10.049) 20.743 9.880 ( 8.797 -0.000 -10.424) 13.640 10.020 ( 15.787 -0.000 15.138) 21.872 10.730 ( 6.666 -0.000 3.838) 7.692 10.969 ( -23.063 0.000 13.528) 26.738 11.397 ( -24.100 0.000 26.266) 35.647 11.574 ( -3.784 0.000 -4.750) 6.073 11.647 ( 4.911 -0.000 -13.343) 14.218 12.091 ( -3.868 0.000 3.846) 5.455 12.145 ( -5.099 0.000 -0.873) 5.173 12.448 ( 6.097 -0.000 -5.438) 8.170 12.801 ( 7.241 -0.000 -9.212) 11.718 13.138 ( -21.039 0.000 5.930) 21.859 13.386 ( 2.207 -0.000 4.851) 5.329 13.429 ( -0.571 0.000 3.349) 3.397 14.296 ( -8.793 0.000 -13.926) 16.469 20.095 ( -1.996 0.000 8.038) 8.282 20.454 ( -14.235 0.000 -0.160) 14.236 20.512 ( 4.950 -0.000 -2.752) 5.664 20.939 ( 2.787 -0.000 14.118) 14.391 21.253 ( -4.878 0.000 0.296) 4.887 21.367 ( -0.343 0.000 -1.916) 1.946 21.546 ( 5.999 -0.000 -0.245) 6.004 21.736 ( -4.500 0.000 -4.060) 6.060 22.068 ( -1.300 0.000 2.479) 2.799 22.141 ( 9.437 -0.000 -30.557) 31.981 22.308 ( -0.949 0.000 -6.015) 6.089 22.879 ( 0.038 -0.000 -1.018) 1.018 24.157 ( 1.121 -0.000 9.771) 9.835 24.586 ( 1.964 -0.000 5.695) 6.024 24.942 ( 2.307 -0.000 -1.350) 2.673 25.066 ( 4.896 -0.000 -2.907) 5.694 25.530 ( 3.985 -0.000 0.293) 3.996 25.585 ( 7.306 -0.000 3.482) 8.093 25.708 ( -1.755 0.000 -3.593) 3.999 26.650 ( 7.951 -0.000 -23.260) 24.581 26.809 ( -2.885 0.000 6.082) 6.732 26.938 ( 0.766 -0.000 4.764) 4.825 27.376 ( -1.484 0.000 -2.728) 3.105 27.410 ( -3.058 0.000 -2.932) 4.236 38.210 ( 0.579 -0.000 0.312) 0.658 38.261 ( 0.627 -0.000 -0.386) 0.736 38.274 ( 1.304 -0.000 0.467) 1.385 38.500 ( 2.876 -0.000 -6.834) 7.415 38.757 ( 0.772 -0.000 0.339) 0.844 38.812 ( 0.666 -0.000 -0.454) 0.806 51.896 ( -0.788 0.000 -1.251) 1.479 51.942 ( -0.433 0.000 0.401) 0.590 52.881 ( -15.588 0.000 -0.208) 15.590 53.143 ( -1.837 0.000 8.128) 8.333 53.605 ( 0.990 -0.000 -1.989) 2.222 53.643 ( -2.387 0.000 -16.557) 16.728 54.260 ( 3.470 -0.000 4.943) 6.039 54.489 ( -3.836 0.000 3.669) 5.308 54.979 ( -9.324 0.000 35.810) 37.004 55.086 ( 0.928 -0.000 0.578) 1.094 55.095 ( 1.682 -0.000 0.182) 1.692 56.582 ( -5.984 0.000 -5.313) 8.002 58.075 ( 0.669 -0.000 0.122) 0.680 58.097 ( 0.127 -0.000 -0.272) 0.300 58.128 ( 2.450 -0.000 1.609) 2.931 58.548 ( 1.873 -0.000 -7.159) 7.400 60.174 ( 0.098 -0.000 0.031) 0.103 60.180 ( -0.069 0.000 -0.064) 0.094 ======================= Grid point 129 (48/124) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 32.878 -6.792 18.289) 38.231 2.855 ( 33.117 -14.481 17.895) 40.332 3.822 ( -5.378 1.476 4.698) 7.292 3.950 ( 9.413 -20.773 18.927) 29.637 4.258 ( -2.242 -12.353 -15.596) 20.021 4.642 ( -2.936 3.539 -17.085) 17.693 4.965 ( 23.457 -1.235 -21.703) 31.981 5.575 ( -6.403 9.036 5.182) 12.227 5.729 ( -1.283 5.946 -4.132) 7.354 5.944 ( 5.864 1.962 15.186) 16.397 6.034 ( -7.716 -2.793 4.031) 9.143 6.113 ( 0.417 1.588 6.142) 6.357 6.418 ( -13.188 -9.941 11.409) 20.073 6.627 ( 4.499 -10.411 10.744) 15.622 6.903 ( -2.710 8.847 -4.559) 10.315 7.104 ( -3.373 -2.348 -9.198) 10.075 7.257 ( -2.810 3.287 -11.870) 12.633 7.649 ( 0.900 10.619 -2.439) 10.933 8.061 ( 2.143 1.906 3.445) 4.482 8.264 ( -3.038 10.026 1.851) 10.639 8.518 ( 2.154 -2.179 -14.209) 14.536 8.643 ( 6.509 -6.231 -11.851) 14.887 8.955 ( -16.113 0.142 20.677) 26.215 9.110 ( -4.125 10.111 12.609) 16.681 9.542 ( 7.662 -8.598 5.396) 12.718 9.660 ( -1.297 -11.364 -0.652) 11.456 9.876 ( 7.052 3.200 -2.408) 8.109 10.115 ( 7.375 -3.485 -4.968) 9.551 10.169 ( 12.067 -0.738 6.281) 13.624 10.673 ( -19.921 7.447 10.954) 23.922 10.842 ( 6.981 -3.285 0.840) 7.760 11.199 ( -6.247 2.586 9.316) 11.511 11.554 ( -6.045 -2.886 -1.101) 6.788 11.685 ( 3.952 0.680 -12.185) 12.828 12.036 ( -4.096 1.742 2.889) 5.306 12.075 ( -4.540 1.794 -1.163) 5.018 12.495 ( 4.862 4.403 -4.076) 7.722 12.781 ( -10.071 5.394 -0.894) 11.459 12.976 ( -5.174 -4.941 -5.797) 9.208 13.409 ( 2.252 -0.549 4.711) 5.251 13.462 ( 2.101 -1.843 1.244) 3.059 14.151 ( -8.879 6.013 -14.214) 17.805 20.117 ( -2.701 -4.307 5.692) 7.632 20.317 ( -14.123 -0.736 0.025) 14.142 20.548 ( 4.624 1.535 -2.203) 5.347 20.946 ( 2.299 2.042 11.543) 11.946 21.167 ( -3.775 3.398 1.960) 5.444 21.388 ( -0.931 -2.152 -1.934) 3.039 21.613 ( 3.918 -1.626 -0.361) 4.257 21.691 ( -3.753 -0.033 -1.782) 4.155 22.031 ( 1.244 4.019 0.395) 4.226 22.126 ( 6.658 8.605 -19.312) 22.166 22.285 ( -2.094 0.759 -5.906) 6.312 22.879 ( 0.025 -0.078 -0.013) 0.083 24.260 ( -0.894 -9.167 6.603) 11.333 24.631 ( 3.279 -1.725 3.401) 5.029 24.977 ( 2.669 -1.058 -1.469) 3.225 25.143 ( 5.374 -2.630 -3.239) 6.804 25.536 ( 1.279 1.881 -1.317) 2.628 25.684 ( -1.154 0.226 -2.617) 2.870 25.689 ( 7.549 -1.566 3.857) 8.620 26.684 ( 2.195 1.854 -15.780) 16.039 26.781 ( -2.905 -0.254 6.510) 7.133 26.935 ( 0.641 0.861 4.857) 4.975 27.354 ( -2.101 0.720 -2.166) 3.102 27.382 ( -2.547 -0.216 -2.892) 3.860 38.226 ( 0.774 -0.899 0.315) 1.227 38.248 ( 1.082 0.879 0.292) 1.424 38.319 ( 0.782 -2.347 -0.101) 2.476 38.512 ( 0.918 0.881 -4.762) 4.929 38.766 ( 0.784 -0.178 0.337) 0.872 38.822 ( 0.669 -0.344 -0.464) 0.884 51.852 ( -0.805 3.374 -0.378) 3.489 52.005 ( -0.755 -6.231 -2.982) 6.949 52.726 ( -14.331 0.193 0.459) 14.339 53.147 ( -0.240 -1.455 6.518) 6.682 53.596 ( -0.030 1.518 -3.788) 4.081 53.628 ( -2.622 -1.187 -15.319) 15.587 54.249 ( 2.221 4.742 4.328) 6.793 54.439 ( 0.318 2.386 3.060) 3.893 54.884 ( -4.806 2.236 29.798) 30.266 54.967 ( 1.509 7.249 3.122) 8.036 55.258 ( 1.482 -9.249 -1.720) 9.524 56.491 ( -5.870 3.420 -6.012) 9.072 58.080 ( 1.074 1.324 0.293) 1.730 58.092 ( 0.973 -1.054 -0.067) 1.436 58.180 ( 1.313 -2.387 1.543) 3.131 58.546 ( -0.574 1.186 -4.608) 4.793 60.173 ( 0.113 0.162 0.036) 0.201 60.180 ( -0.175 -0.092 -0.069) 0.209 ======================= Grid point 130 (49/124) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 17.262 -3.985 7.128) 19.097 3.371 ( 12.608 -14.211 14.258) 23.753 3.745 ( -1.446 -11.005 -4.831) 12.105 4.235 ( -4.578 -13.809 1.218) 14.599 4.575 ( 1.161 3.665 -12.441) 13.021 4.785 ( 8.143 -29.196 6.490) 30.997 5.206 ( 23.093 0.892 -19.503) 30.240 5.384 ( 1.024 7.980 6.103) 10.098 5.473 ( -12.790 9.496 7.019) 17.408 5.967 ( -5.020 -3.075 2.065) 6.238 6.079 ( 2.934 7.235 14.940) 16.857 6.119 ( 1.156 -10.969 -2.634) 11.340 6.445 ( -4.669 0.992 -0.091) 4.774 6.735 ( -0.402 5.711 9.549) 11.133 6.777 ( -3.450 -4.585 -1.591) 5.955 7.129 ( -1.327 6.952 -7.964) 10.655 7.152 ( 1.321 -3.464 -6.060) 7.104 7.431 ( 2.242 13.534 -1.736) 13.828 8.073 ( 1.526 1.581 8.997) 9.262 8.098 ( -4.432 1.064 2.169) 5.048 8.492 ( -4.347 3.349 -9.941) 11.354 8.727 ( 3.900 16.021 26.092) 30.865 8.844 ( 9.251 -2.677 -5.657) 11.169 8.983 ( -13.649 -7.688 16.471) 22.731 9.725 ( -4.881 -1.783 -3.778) 6.424 9.910 ( -2.569 -7.661 -9.654) 12.589 9.937 ( 8.825 -16.685 9.958) 21.341 10.093 ( -8.058 4.771 -0.547) 9.381 10.293 ( 10.276 -2.672 10.729) 15.094 10.374 ( -5.946 10.234 5.663) 13.120 10.971 ( 11.404 -0.970 -3.972) 12.115 11.198 ( 3.022 -2.669 -4.947) 6.382 11.554 ( -5.245 -3.537 -0.296) 6.333 11.709 ( 2.007 -0.019 -9.552) 9.760 11.953 ( -5.846 2.016 -0.035) 6.184 12.005 ( -3.033 2.268 1.168) 3.964 12.237 ( -11.912 16.921 7.250) 21.927 12.698 ( -0.305 -1.231 -1.926) 2.306 13.093 ( 3.500 -6.503 -15.884) 17.517 13.448 ( 1.354 -1.512 3.194) 3.784 13.517 ( 2.419 -1.800 0.438) 3.047 13.938 ( -7.081 8.685 -14.156) 18.055 20.167 ( -5.806 -4.807 2.151) 7.839 20.216 ( -9.805 -2.921 0.996) 10.279 20.552 ( 3.601 2.563 -2.859) 5.265 20.919 ( 1.632 3.134 6.407) 7.317 21.083 ( -1.861 2.882 3.484) 4.889 21.410 ( -0.681 -1.258 -1.650) 2.184 21.653 ( -3.300 -2.209 -2.434) 4.658 21.687 ( 2.530 -0.448 2.734) 3.752 21.939 ( 3.661 9.644 -4.549) 11.274 22.032 ( 4.444 8.108 -3.464) 9.874 22.260 ( -2.775 -1.238 -5.731) 6.486 22.883 ( -0.121 -0.419 0.441) 0.620 24.411 ( -2.282 -9.855 4.861) 11.223 24.701 ( 3.368 -2.341 1.395) 4.333 25.030 ( 2.508 -2.037 -1.462) 3.546 25.244 ( 4.825 -2.543 -3.296) 6.373 25.496 ( 0.270 3.555 -3.477) 4.980 25.651 ( -2.076 1.189 -3.267) 4.049 25.784 ( 5.571 -0.625 4.442) 7.152 26.642 ( -0.158 3.440 -11.264) 11.778 26.769 ( -2.395 -1.479 7.315) 7.838 26.934 ( 0.892 -0.176 5.164) 5.243 27.310 ( -2.432 1.528 -0.845) 2.993 27.368 ( -1.534 -0.403 -2.897) 3.302 38.247 ( 1.211 -0.356 0.496) 1.356 38.263 ( 0.950 -1.215 0.354) 1.582 38.362 ( 0.469 -1.831 -0.431) 1.939 38.489 ( -0.422 1.905 -2.942) 3.531 38.777 ( 0.651 -0.233 0.354) 0.776 38.835 ( 0.552 -0.449 -0.487) 0.862 51.775 ( -0.507 4.571 0.381) 4.615 52.116 ( -1.006 -7.281 -6.197) 9.614 52.604 ( -11.490 -1.227 1.088) 11.606 53.185 ( 0.851 -2.581 4.879) 5.584 53.558 ( -0.322 2.680 -3.223) 4.204 53.626 ( -3.041 -1.811 -15.702) 16.096 54.162 ( 1.588 6.689 4.607) 8.276 54.419 ( 3.228 2.570 -0.114) 4.128 54.801 ( -2.871 3.229 24.667) 25.043 54.878 ( 1.256 4.444 8.098) 9.322 55.439 ( 1.588 -9.901 -3.204) 10.527 56.355 ( -4.933 5.861 -6.401) 9.983 58.079 ( 1.769 0.587 0.615) 1.963 58.131 ( 2.136 -1.534 -0.343) 2.652 58.225 ( -0.148 -2.266 1.383) 2.659 58.499 ( -2.328 2.300 -2.762) 4.282 60.171 ( 0.026 0.206 0.051) 0.214 60.179 ( -0.270 -0.070 -0.080) 0.290 ======================= Grid point 131 (50/124) ======================= q-point: ( 0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( -1.649 0.528 -0.359) 1.768 3.675 ( 8.302 -14.034 12.523) 20.560 4.120 ( 6.657 -17.816 -6.196) 20.002 4.381 ( -3.228 -4.880 6.884) 9.035 4.559 ( 0.882 -3.744 -6.796) 7.809 5.048 ( 4.086 13.985 -6.605) 15.997 5.243 ( -12.238 -0.384 17.887) 21.677 5.362 ( 6.501 -11.377 6.125) 14.464 5.470 ( 13.717 -1.828 -10.554) 17.404 5.872 ( -1.036 14.662 7.584) 16.540 6.037 ( -5.134 -11.165 0.404) 12.295 6.232 ( -7.836 6.409 -8.350) 13.122 6.386 ( 7.386 -6.440 -3.826) 10.519 6.620 ( -5.177 6.944 0.048) 8.662 6.821 ( -7.060 -7.247 4.954) 11.266 7.082 ( 7.101 3.173 2.516) 8.174 7.194 ( -0.451 -0.555 -8.416) 8.446 7.308 ( 10.141 4.686 -0.646) 11.190 7.994 ( -9.515 0.492 0.877) 9.568 8.159 ( 3.365 -3.146 9.527) 10.582 8.366 ( -3.174 4.993 -1.480) 6.099 8.473 ( 7.027 16.853 31.916) 36.770 8.972 ( -9.078 -9.770 19.848) 23.913 9.062 ( 7.206 -5.067 -1.564) 8.947 9.515 ( -9.636 11.530 -10.420) 18.286 9.913 ( -5.238 7.166 3.807) 9.658 10.036 ( -10.255 -8.106 -8.388) 15.532 10.158 ( -0.549 5.350 1.811) 5.674 10.267 ( 6.319 -9.267 8.531) 14.092 10.565 ( 9.006 -14.001 9.435) 19.135 11.106 ( 14.023 -0.425 -8.269) 16.285 11.291 ( 3.595 -3.251 -10.888) 11.919 11.563 ( -3.502 -1.128 -0.763) 3.758 11.717 ( -0.703 1.585 -5.094) 5.381 11.726 ( -10.809 13.935 4.566) 18.218 11.935 ( -1.823 0.725 1.645) 2.560 11.975 ( -3.367 2.467 3.965) 5.757 12.733 ( 1.855 -1.699 -2.427) 3.496 13.223 ( 2.727 -4.159 -16.184) 16.931 13.472 ( -0.602 -0.391 -0.497) 0.873 13.566 ( 1.722 -1.213 0.239) 2.120 13.739 ( -3.669 7.263 -12.932) 15.279 20.145 ( -9.429 -4.926 -0.130) 10.639 20.255 ( -2.546 -5.455 0.851) 6.080 20.538 ( 2.345 2.178 -4.611) 5.613 20.883 ( 2.280 3.026 2.443) 4.508 21.031 ( -0.810 1.743 2.250) 2.959 21.417 ( -0.408 -0.219 0.945) 1.053 21.659 ( -0.864 -0.721 -1.056) 1.543 21.713 ( 0.785 -0.342 3.676) 3.774 21.790 ( 1.635 9.722 -5.343) 11.213 21.930 ( 2.686 7.727 4.825) 9.497 22.277 ( -1.832 -3.142 -4.444) 5.742 22.892 ( 0.110 -0.716 0.194) 0.750 24.557 ( -1.955 -9.511 4.252) 10.600 24.770 ( 2.518 -1.931 0.179) 3.178 25.094 ( 2.045 -2.653 -1.459) 3.654 25.302 ( 2.497 0.956 -1.920) 3.292 25.435 ( 0.478 2.920 -5.799) 6.510 25.595 ( -2.096 3.076 -4.210) 5.619 25.813 ( 2.457 1.722 4.305) 5.248 26.589 ( -0.508 1.904 -9.473) 9.675 26.780 ( -1.567 -1.919 7.526) 7.923 26.960 ( 0.817 -1.486 5.145) 5.417 27.263 ( -1.354 1.408 0.598) 2.043 27.363 ( -1.033 -0.342 -2.744) 2.952 38.266 ( 1.304 -0.147 0.608) 1.446 38.296 ( 0.605 -1.671 0.292) 1.801 38.390 ( 0.663 -0.484 -0.729) 1.098 38.448 ( -1.286 1.431 -1.748) 2.599 38.786 ( 0.394 -0.084 0.376) 0.551 38.846 ( 0.358 -0.292 -0.511) 0.689 51.694 ( -0.074 4.171 1.237) 4.351 52.229 ( -0.420 -6.456 -9.170) 11.223 52.545 ( -8.069 -3.230 1.738) 8.863 53.250 ( 1.461 -3.460 3.578) 5.187 53.502 ( -0.100 3.354 -0.241) 3.364 53.631 ( -3.118 -2.316 -17.619) 18.042 54.067 ( 1.489 5.833 4.449) 7.485 54.401 ( 3.269 3.450 -4.140) 6.303 54.718 ( -1.767 3.517 23.702) 24.027 54.835 ( 0.751 1.857 11.946) 12.113 55.631 ( 1.627 -10.490 -4.366) 11.478 56.197 ( -3.611 7.443 -6.344) 10.425 58.088 ( 2.002 0.730 0.897) 2.313 58.174 ( 3.184 0.034 -0.347) 3.203 58.264 ( -0.821 -2.980 0.661) 3.161 58.432 ( -3.571 1.622 -1.639) 4.250 60.167 ( -0.045 0.157 0.069) 0.178 60.178 ( -0.316 -0.121 -0.089) 0.350 ======================= Grid point 132 (51/124) ======================= q-point: ( 0.60 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( -2.267 -4.987 -3.793) 6.663 4.002 ( 8.518 -10.965 10.283) 17.277 4.248 ( 0.927 9.004 6.005) 10.863 4.419 ( 4.786 -6.450 1.514) 8.173 4.663 ( -1.955 19.451 1.926) 19.643 4.795 ( -12.498 -16.760 4.422) 21.370 5.097 ( -2.009 9.939 13.901) 17.206 5.364 ( -5.807 14.993 10.239) 19.061 5.628 ( 6.574 -2.220 1.033) 7.015 5.830 ( 15.180 -5.815 -9.576) 18.866 6.121 ( -0.672 -5.258 -12.361) 13.450 6.215 ( -7.012 -6.492 -7.033) 11.865 6.457 ( -3.184 1.247 -7.202) 7.972 6.556 ( 6.463 -4.840 -4.206) 9.104 6.846 ( -8.059 -4.466 8.653) 12.640 6.956 ( -7.128 4.362 -11.572) 14.274 7.328 ( 5.699 -1.392 -12.721) 14.009 7.420 ( 14.024 -2.711 15.821) 21.315 7.804 ( -11.704 9.132 -3.978) 15.369 8.167 ( -0.851 3.837 28.331) 28.603 8.284 ( 5.346 10.174 28.876) 31.079 8.406 ( 3.167 -8.026 -6.201) 10.625 9.020 ( -7.429 -4.946 14.646) 17.151 9.184 ( -4.841 -2.481 7.542) 9.299 9.360 ( 4.380 -3.023 -5.206) 7.445 9.743 ( 4.112 9.478 -3.815) 11.014 9.953 ( -3.732 4.111 11.038) 12.355 10.181 ( -7.001 -6.205 -10.258) 13.883 10.399 ( -2.953 -3.657 2.666) 5.404 10.805 ( 2.494 -4.596 6.853) 8.620 11.234 ( 5.921 8.923 -5.287) 11.942 11.334 ( -0.876 3.068 -6.916) 7.617 11.382 ( 6.608 -1.448 -2.700) 7.284 11.634 ( -0.586 -3.347 -2.471) 4.202 11.704 ( 0.062 0.794 -1.980) 2.134 11.923 ( -2.234 0.304 4.015) 4.605 11.943 ( -2.187 -2.520 0.202) 3.343 12.803 ( 3.153 -3.721 -3.735) 6.143 13.271 ( -0.254 0.537 -14.420) 14.433 13.447 ( -2.124 0.728 -5.175) 5.641 13.577 ( 0.267 1.418 0.414) 1.501 13.641 ( -0.027 2.026 -9.166) 9.388 20.180 ( -5.077 -7.340 0.533) 8.941 20.327 ( -1.574 -5.140 -1.291) 5.529 20.534 ( 0.852 -0.230 -7.001) 7.056 20.864 ( 3.946 2.637 -0.672) 4.793 21.003 ( -0.984 0.676 -1.180) 1.679 21.415 ( -0.413 -0.129 4.808) 4.828 21.612 ( 1.956 7.625 5.847) 9.806 21.671 ( 0.520 3.189 0.117) 3.233 21.739 ( -0.602 -1.227 -1.030) 1.712 21.827 ( -0.892 4.602 5.240) 7.031 22.320 ( -0.640 -2.868 -2.968) 4.177 22.911 ( 0.529 -1.143 -0.426) 1.330 24.692 ( -1.041 -7.368 2.734) 7.928 24.806 ( 1.168 0.105 -0.281) 1.205 25.156 ( 1.674 -2.112 -1.129) 2.921 25.253 ( -0.668 4.413 -1.455) 4.694 25.428 ( 1.540 -0.336 -5.984) 6.188 25.509 ( -1.841 4.039 -5.034) 6.711 25.783 ( 0.457 3.069 4.589) 5.539 26.572 ( -0.099 -0.161 -9.883) 9.885 26.801 ( -0.775 -1.824 7.413) 7.674 26.982 ( -0.212 -0.170 5.184) 5.191 27.252 ( 0.659 -0.972 1.460) 1.874 27.359 ( -0.822 -0.289 -2.553) 2.698 38.267 ( 0.277 1.078 0.569) 1.250 38.332 ( 0.664 -1.551 0.168) 1.695 38.374 ( 0.179 2.237 -0.775) 2.374 38.443 ( -0.511 -1.660 -1.230) 2.129 38.787 ( 0.114 0.229 0.386) 0.463 38.851 ( 0.148 0.046 -0.540) 0.562 51.637 ( 0.213 2.292 1.893) 2.980 52.325 ( 0.426 -4.580 -12.835) 13.634 52.556 ( -4.701 -5.327 2.577) 7.558 53.328 ( 1.620 -3.639 2.204) 4.553 53.448 ( 0.301 2.617 4.423) 5.149 53.643 ( -2.560 -2.228 -19.061) 19.360 53.993 ( 0.961 4.067 4.190) 5.918 54.359 ( 1.940 4.446 -6.972) 8.493 54.652 ( -1.158 2.350 24.623) 24.762 54.826 ( 0.692 0.113 13.845) 13.863 55.832 ( 1.542 -10.812 -5.272) 12.127 56.031 ( -2.301 8.273 -5.995) 10.473 58.084 ( 1.049 1.591 0.983) 2.144 58.186 ( 3.270 2.324 -0.318) 4.024 58.292 ( -1.721 -0.790 0.233) 1.908 58.407 ( -2.137 -3.205 -1.229) 4.043 60.164 ( -0.088 0.154 0.106) 0.206 60.179 ( -0.221 -0.355 -0.118) 0.435 ======================= Grid point 133 (52/124) ======================= q-point: (-0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 0.292 -10.268 -4.424) 11.184 3.946 ( 4.511 23.529 6.404) 24.799 4.113 ( -7.863 21.775 12.328) 26.229 4.211 ( -2.846 4.980 15.616) 16.636 4.669 ( 12.749 -5.825 1.914) 14.147 4.862 ( -2.342 11.256 6.836) 13.376 5.024 ( -5.437 -12.455 -3.972) 14.159 5.073 ( -9.724 2.450 13.002) 16.420 5.660 ( 4.572 4.810 7.553) 10.054 5.999 ( -7.290 12.195 -21.218) 25.535 6.142 ( 13.422 -7.790 -12.705) 20.056 6.315 ( -3.725 -12.857 -9.558) 16.448 6.525 ( 2.526 -4.500 4.812) 7.057 6.725 ( 3.977 -7.058 -6.790) 10.570 6.849 ( -4.290 -4.911 6.667) 9.326 6.900 ( -3.715 -3.613 -13.968) 14.899 7.352 ( 3.742 2.976 -9.390) 10.537 7.507 ( 1.755 2.385 2.080) 3.618 7.564 ( -2.264 5.566 2.992) 6.713 8.048 ( -1.787 7.414 36.161) 36.957 8.214 ( 2.685 2.392 27.216) 27.453 8.630 ( -0.626 -10.955 -6.436) 12.721 8.991 ( -1.558 -1.210 -0.765) 2.116 9.189 ( -5.210 -3.965 11.092) 12.880 9.539 ( 1.181 -9.097 8.624) 12.591 9.686 ( 7.901 3.241 2.543) 8.911 9.931 ( 3.031 -3.745 7.606) 9.004 10.170 ( -6.715 -0.260 -10.854) 12.766 10.312 ( -6.046 8.115 -2.035) 10.322 10.780 ( 0.271 8.139 6.914) 10.683 11.036 ( 1.616 8.851 1.580) 9.135 11.300 ( -0.461 5.221 -17.150) 17.933 11.621 ( 7.113 -13.082 0.075) 14.891 11.694 ( 0.406 -2.497 -4.374) 5.053 11.697 ( -0.017 -0.613 -2.658) 2.728 11.913 ( -1.361 -1.750 7.164) 7.499 11.981 ( -1.208 -3.753 -1.368) 4.173 12.919 ( 4.355 -4.826 -5.773) 8.693 13.194 ( -3.561 5.578 -11.990) 13.695 13.448 ( -0.720 -2.499 -4.289) 5.016 13.534 ( 0.132 3.403 0.467) 3.437 13.641 ( 0.181 -1.876 -8.563) 8.768 20.280 ( -1.235 -6.983 1.494) 7.247 20.389 ( -0.536 -3.153 -3.443) 4.699 20.587 ( -0.159 -6.209 -7.618) 9.829 20.869 ( 4.810 1.887 -5.533) 7.571 20.978 ( -2.175 0.725 -2.270) 3.226 21.401 ( -0.550 2.429 3.423) 4.233 21.527 ( 0.710 1.917 11.665) 11.842 21.628 ( 1.557 3.086 6.212) 7.108 21.697 ( -1.457 4.226 10.984) 11.859 21.807 ( -1.370 -2.715 -8.583) 9.106 22.355 ( -0.048 -1.477 -2.145) 2.605 22.939 ( 0.598 -1.288 -1.130) 1.815 24.755 ( -0.376 1.113 -0.644) 1.340 24.800 ( 0.211 -0.264 0.520) 0.620 25.144 ( 0.239 4.993 -1.729) 5.289 25.230 ( -0.148 -3.209 0.143) 3.215 25.403 ( -0.322 4.545 -7.330) 8.631 25.490 ( -0.006 -3.501 -2.940) 4.572 25.727 ( -0.372 3.351 4.906) 5.953 26.581 ( 0.095 -0.548 -11.465) 11.478 26.826 ( -0.205 -1.526 6.977) 7.145 26.962 ( -0.412 1.726 5.952) 6.211 27.304 ( 1.518 -3.255 0.939) 3.712 27.357 ( -0.860 -0.507 -2.334) 2.539 38.241 ( -0.256 1.638 0.588) 1.759 38.333 ( 0.182 2.002 -0.794) 2.162 38.360 ( 0.051 -0.505 0.229) 0.557 38.473 ( 0.157 -1.827 -1.544) 2.397 38.780 ( -0.046 0.550 0.378) 0.669 38.848 ( 0.008 0.414 -0.568) 0.703 51.624 ( 0.254 -0.540 2.125) 2.207 52.389 ( 0.699 -1.955 -17.029) 17.155 52.632 ( -1.816 -7.078 3.440) 8.077 53.391 ( 1.770 -0.734 0.028) 1.917 53.436 ( 0.222 -1.780 10.942) 11.088 53.653 ( -1.679 -1.161 -19.136) 19.244 53.949 ( 0.265 1.674 4.467) 4.778 54.290 ( 0.474 4.761 -6.733) 8.260 54.619 ( -0.595 0.346 22.452) 22.462 54.842 ( 0.542 -1.186 15.715) 15.769 55.861 ( -0.786 9.006 -5.443) 10.552 56.039 ( 0.764 -11.181 -5.944) 12.686 58.059 ( 0.059 1.717 0.811) 1.900 58.157 ( 1.646 3.690 -0.611) 4.087 58.279 ( -1.552 -0.188 1.050) 1.883 58.474 ( 0.038 -4.569 -1.874) 4.939 60.161 ( -0.093 0.109 0.178) 0.228 60.185 ( -0.050 -0.473 -0.191) 0.513 ======================= Grid point 134 (53/124) ======================= q-point: (-0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( -0.000 12.290 6.904) 14.097 3.507 ( -0.000 11.364 0.844) 11.395 3.574 ( -0.000 30.323 15.311) 33.970 4.144 ( -0.000 5.596 12.546) 13.738 4.592 ( -0.000 13.092 2.211) 13.277 4.812 ( 0.000 -6.436 -0.671) 6.470 4.964 ( -0.000 20.176 2.343) 20.312 5.251 ( 0.000 -17.297 -0.183) 17.298 5.556 ( -0.000 3.551 13.568) 14.025 5.735 ( -0.000 13.166 -24.097) 27.459 6.299 ( 0.000 -3.001 -19.599) 19.828 6.468 ( 0.000 -4.353 6.719) 8.006 6.713 ( 0.000 -16.434 -0.348) 16.438 6.754 ( -0.000 3.776 6.439) 7.465 6.959 ( 0.000 -6.437 -9.451) 11.435 6.997 ( 0.000 -10.715 -5.149) 11.888 7.380 ( 0.000 -4.349 -6.858) 8.121 7.404 ( -0.000 6.012 -9.362) 11.126 7.625 ( 0.000 -8.624 8.068) 11.810 7.911 ( -0.000 6.533 36.383) 36.965 8.241 ( 0.000 -4.056 29.480) 29.758 8.611 ( -0.000 8.819 -8.152) 12.010 9.146 ( 0.000 -11.625 -3.584) 12.165 9.219 ( 0.000 -4.313 5.447) 6.948 9.535 ( -0.000 4.779 -2.813) 5.545 9.861 ( 0.000 -7.994 21.318) 22.767 10.066 ( -0.000 8.387 -12.216) 14.818 10.066 ( -0.000 9.335 -5.831) 11.007 10.131 ( 0.000 -15.078 5.197) 15.948 10.545 ( -0.000 18.722 9.154) 20.840 10.973 ( 0.000 -0.560 5.112) 5.143 11.172 ( -0.000 8.275 -15.773) 17.812 11.685 ( -0.000 0.942 -6.458) 6.527 11.712 ( -0.000 0.240 -7.451) 7.455 11.944 ( 0.000 -17.346 1.777) 17.437 11.961 ( 0.000 -4.356 6.533) 7.852 12.052 ( 0.000 -5.179 -0.496) 5.203 13.034 ( -0.000 9.276 -9.655) 13.389 13.040 ( 0.000 -5.619 -6.644) 8.702 13.461 ( -0.000 3.507 1.367) 3.764 13.497 ( 0.000 -1.114 1.823) 2.137 13.737 ( 0.000 -9.706 -12.041) 15.466 20.348 ( 0.000 -1.235 -2.894) 3.147 20.464 ( 0.000 -6.406 -0.312) 6.413 20.727 ( 0.000 -8.282 -5.235) 9.798 20.894 ( 0.000 -1.339 -13.445) 13.512 20.929 ( -0.000 2.811 3.026) 4.130 21.317 ( -0.000 5.643 5.779) 8.077 21.543 ( 0.000 -0.352 3.547) 3.564 21.582 ( -0.000 3.671 5.624) 6.716 21.656 ( 0.000 -3.238 20.521) 20.775 21.843 ( 0.000 -1.861 -10.074) 10.244 22.368 ( 0.000 -0.006 -2.337) 2.337 22.961 ( 0.000 -0.642 -1.664) 1.783 24.677 ( -0.000 6.195 -1.443) 6.361 24.807 ( -0.000 0.144 -0.390) 0.416 25.061 ( -0.000 4.448 -1.626) 4.736 25.290 ( 0.000 -3.219 1.475) 3.541 25.322 ( -0.000 4.339 -7.131) 8.347 25.564 ( 0.000 -4.272 -2.269) 4.837 25.664 ( -0.000 3.465 4.464) 5.651 26.584 ( -0.000 0.391 -13.790) 13.796 26.849 ( 0.000 -1.223 6.442) 6.557 26.927 ( -0.000 1.906 6.538) 6.810 27.358 ( 0.000 -0.548 -2.495) 2.554 27.379 ( 0.000 -3.710 0.013) 3.710 38.214 ( -0.000 1.137 0.607) 1.289 38.302 ( -0.000 1.649 -0.706) 1.793 38.356 ( -0.000 1.030 0.172) 1.044 38.502 ( 0.000 -1.185 -2.521) 2.786 38.769 ( -0.000 0.712 0.361) 0.798 38.838 ( -0.000 0.681 -0.578) 0.894 51.660 ( 0.000 -3.447 1.970) 3.970 52.401 ( -0.000 1.071 -19.985) 20.014 52.756 ( 0.000 -8.112 3.562) 8.859 53.408 ( 0.000 -0.885 5.583) 5.652 53.490 ( 0.000 -3.282 8.245) 8.874 53.645 ( -0.000 0.970 -16.176) 16.205 53.946 ( 0.000 -1.413 5.427) 5.608 54.216 ( -0.000 3.637 -4.360) 5.678 54.631 ( 0.000 -2.222 17.579) 17.719 54.874 ( 0.000 -2.016 18.140) 18.252 55.697 ( -0.000 9.391 -4.822) 10.557 56.236 ( 0.000 -10.995 -6.159) 12.602 58.034 ( -0.000 1.003 0.572) 1.155 58.106 ( -0.000 2.752 -0.507) 2.798 58.264 ( -0.000 1.272 1.462) 1.938 58.545 ( 0.000 -3.300 -2.989) 4.452 60.159 ( 0.000 -0.002 0.238) 0.238 60.192 ( 0.000 -0.298 -0.258) 0.394 ======================= Grid point 139 (54/124) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 35.279 -0.000 20.989) 41.050 3.013 ( 25.332 -0.000 27.247) 37.204 3.667 ( -16.665 0.000 21.100) 26.887 3.972 ( -20.124 0.000 -19.840) 28.259 4.021 ( 22.932 -0.000 0.821) 22.947 4.662 ( 0.002 -0.000 -15.504) 15.504 5.257 ( 32.970 -0.000 -22.050) 39.664 5.486 ( -23.417 0.000 19.945) 30.760 5.709 ( -20.343 0.000 -3.008) 20.564 5.872 ( 7.677 -0.000 -4.931) 9.124 6.084 ( -7.854 0.000 7.195) 10.651 6.200 ( 0.869 -0.000 7.102) 7.155 6.312 ( 21.745 -0.000 17.885) 28.156 6.564 ( 5.911 -0.000 13.243) 14.502 6.956 ( -4.671 0.000 -5.225) 7.009 7.058 ( -1.290 0.000 -15.648) 15.701 7.235 ( -5.084 0.000 -12.315) 13.323 7.764 ( 3.014 -0.000 -3.146) 4.357 8.138 ( 4.951 -0.000 3.226) 5.909 8.453 ( -0.110 0.000 4.076) 4.078 8.511 ( -1.932 0.000 -4.267) 4.684 8.514 ( 3.542 -0.000 -2.797) 4.513 8.734 ( -14.054 0.000 5.325) 15.029 9.246 ( -2.114 0.000 0.732) 2.237 9.494 ( 1.757 -0.000 7.572) 7.773 9.573 ( 1.609 -0.000 7.760) 7.925 9.882 ( -7.537 0.000 0.260) 7.542 10.111 ( 0.151 -0.000 -6.360) 6.361 10.302 ( 10.481 -0.000 13.238) 16.885 10.557 ( -11.602 0.000 6.036) 13.078 10.927 ( 14.061 -0.000 -1.216) 14.114 11.172 ( -1.132 0.000 3.874) 4.036 11.458 ( -7.347 0.000 -0.115) 7.348 11.745 ( 4.668 -0.000 -11.316) 12.241 12.003 ( -6.108 0.000 1.479) 6.285 12.045 ( -4.060 0.000 -0.949) 4.170 12.610 ( 8.810 -0.000 -7.795) 11.763 12.644 ( -25.584 0.000 11.862) 28.200 12.933 ( 6.382 -0.000 -15.216) 16.500 13.428 ( 1.753 -0.000 4.702) 5.018 13.468 ( 2.774 -0.000 0.447) 2.810 14.109 ( -9.619 0.000 -15.078) 17.885 20.066 ( -0.863 0.000 4.810) 4.887 20.171 ( -13.591 0.000 0.523) 13.601 20.610 ( 4.621 -0.000 -0.816) 4.692 20.983 ( 0.960 -0.000 11.091) 11.133 21.153 ( -4.368 0.000 6.012) 7.431 21.363 ( 0.108 -0.000 -2.008) 2.011 21.604 ( -3.353 0.000 -3.493) 4.842 21.678 ( 2.062 -0.000 1.532) 2.569 22.060 ( 0.361 -0.000 -0.457) 0.582 22.257 ( 3.368 -0.000 -25.324) 25.547 22.279 ( -1.682 0.000 -3.967) 4.309 22.886 ( 0.697 -0.000 0.121) 0.707 24.180 ( 1.079 -0.000 9.660) 9.720 24.656 ( 4.300 -0.000 2.121) 4.795 24.997 ( 3.012 -0.000 -1.777) 3.497 25.178 ( 6.152 -0.000 -3.629) 7.142 25.563 ( 0.827 -0.000 -0.299) 0.880 25.661 ( -3.004 0.000 -3.121) 4.332 25.758 ( 8.081 -0.000 4.890) 9.445 26.708 ( -0.395 0.000 -7.510) 7.521 26.756 ( -2.234 0.000 1.201) 2.537 26.948 ( 0.213 -0.000 4.417) 4.422 27.336 ( -2.767 0.000 -2.035) 3.435 27.357 ( -1.782 0.000 -3.145) 3.615 38.227 ( 1.013 -0.000 0.352) 1.072 38.275 ( 0.715 -0.000 -0.377) 0.808 38.296 ( 0.836 -0.000 0.754) 1.126 38.530 ( 0.580 -0.000 -4.053) 4.095 38.772 ( 0.755 -0.000 0.330) 0.824 38.825 ( 0.667 -0.000 -0.439) 0.799 51.886 ( -0.341 0.000 -2.241) 2.267 51.939 ( 0.211 -0.000 -0.342) 0.402 52.582 ( -13.877 0.000 1.329) 13.941 53.139 ( 1.017 -0.000 5.986) 6.071 53.581 ( -3.585 0.000 -19.671) 19.995 53.618 ( 0.443 -0.000 -1.259) 1.334 54.320 ( 2.508 -0.000 3.046) 3.946 54.448 ( -0.662 0.000 2.650) 2.732 54.858 ( -4.132 0.000 29.329) 29.619 55.106 ( 0.935 -0.000 0.452) 1.038 55.131 ( 1.798 -0.000 -0.096) 1.800 56.462 ( -5.710 0.000 -6.319) 8.517 58.087 ( 0.504 -0.000 -0.001) 0.504 58.100 ( 0.172 -0.000 -0.227) 0.285 58.173 ( 1.919 -0.000 2.325) 3.015 58.555 ( -0.555 0.000 -3.916) 3.955 60.176 ( 0.083 -0.000 0.003) 0.084 60.178 ( -0.100 0.000 -0.039) 0.107 ======================= Grid point 140 (55/124) ======================= q-point: ( 0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 19.884 3.309 16.485) 26.039 3.302 ( 10.523 -7.281 17.913) 22.014 3.583 ( -3.295 -4.485 13.941) 15.010 3.901 ( -6.780 -14.064 -0.145) 15.613 4.395 ( 6.703 -20.339 -0.265) 21.417 4.654 ( 1.826 0.855 -8.047) 8.296 5.197 ( -24.663 2.655 25.109) 35.296 5.479 ( 3.518 0.356 -13.079) 13.549 5.650 ( 8.158 -2.606 -14.087) 16.486 5.885 ( 6.691 5.926 -4.332) 9.932 5.993 ( -5.157 1.243 7.020) 8.799 6.254 ( 10.329 -1.947 5.593) 11.906 6.472 ( 8.758 3.614 10.481) 14.128 6.702 ( 3.697 -4.082 4.901) 7.373 6.836 ( -4.217 6.100 -3.019) 8.007 7.092 ( 2.658 -2.770 -13.306) 13.848 7.188 ( -1.946 -0.041 -13.632) 13.770 7.701 ( 4.319 11.039 -1.469) 11.944 8.107 ( 1.463 3.504 14.359) 14.853 8.204 ( -2.024 14.362 1.110) 14.546 8.540 ( -3.538 3.710 -9.853) 11.107 8.612 ( -8.861 -11.375 20.000) 24.656 8.809 ( 7.834 -8.299 -9.961) 15.148 9.149 ( 3.984 12.064 12.863) 18.079 9.431 ( -14.149 -9.093 -8.138) 18.684 9.797 ( 6.462 -11.995 13.085) 18.891 9.829 ( -4.178 -2.198 9.306) 10.435 9.990 ( -18.533 1.128 0.470) 18.573 10.376 ( 6.739 1.183 9.475) 11.687 10.496 ( 4.437 4.703 -3.482) 7.343 11.072 ( 11.057 -1.172 -4.581) 12.026 11.205 ( 6.439 -0.867 -4.138) 7.703 11.420 ( -6.743 -4.003 1.295) 7.947 11.762 ( 3.311 2.297 -9.301) 10.136 11.914 ( -9.279 1.372 -1.428) 9.488 12.004 ( -2.519 1.003 0.541) 2.765 12.323 ( -17.240 9.343 12.180) 23.083 12.701 ( 4.897 -0.895 -4.568) 6.757 13.041 ( 6.243 -4.454 -17.721) 19.309 13.443 ( 0.748 -0.392 3.308) 3.414 13.510 ( 2.405 -1.616 0.051) 2.898 13.976 ( -8.182 4.512 -15.171) 17.817 20.045 ( -9.919 -0.743 1.027) 10.000 20.095 ( -2.264 -3.260 3.041) 5.000 20.633 ( 3.775 2.123 -0.800) 4.404 20.966 ( -1.038 1.510 6.453) 6.709 21.103 ( -1.748 1.882 10.134) 10.455 21.383 ( 0.519 -1.569 -1.863) 2.490 21.572 ( -5.085 -1.632 -2.293) 5.812 21.708 ( 2.768 -0.174 1.464) 3.136 22.061 ( 1.825 1.273 -0.555) 2.294 22.215 ( 1.946 6.825 -19.978) 21.201 22.242 ( -1.360 2.397 -4.817) 5.550 22.887 ( 0.683 0.506 1.125) 1.410 24.249 ( -0.253 -6.422 8.391) 10.570 24.708 ( 3.794 -1.105 0.848) 4.042 25.032 ( 2.654 -0.728 -1.761) 3.267 25.259 ( 6.107 -1.968 -4.025) 7.574 25.547 ( -0.244 2.362 -1.752) 2.951 25.633 ( -2.903 -0.288 -2.488) 3.834 25.833 ( 5.706 -0.226 4.850) 7.492 26.691 ( -0.670 1.700 -7.828) 8.039 26.726 ( -2.437 -0.010 4.814) 5.395 26.944 ( 0.235 0.431 4.678) 4.704 27.304 ( -2.499 0.588 -1.414) 2.931 27.346 ( -1.237 -0.408 -3.129) 3.389 38.243 ( 0.848 -0.704 0.324) 1.149 38.272 ( 1.299 0.426 0.363) 1.415 38.327 ( -0.003 -2.047 0.043) 2.048 38.520 ( 0.046 1.481 -2.998) 3.344 38.781 ( 0.613 -0.124 0.339) 0.712 38.834 ( 0.542 -0.277 -0.445) 0.754 51.842 ( -0.279 3.574 -1.053) 3.736 52.001 ( 0.375 -5.320 -2.886) 6.064 52.466 ( -11.253 -1.262 2.145) 11.525 53.163 ( 1.541 -1.304 5.480) 5.840 53.554 ( -3.310 -0.894 -20.729) 21.011 53.608 ( 0.022 1.404 -1.231) 1.868 54.285 ( 1.410 5.508 3.350) 6.599 54.459 ( 1.272 -0.538 0.562) 1.491 54.809 ( -2.929 1.449 27.706) 27.898 54.995 ( 1.197 7.047 2.990) 7.748 55.287 ( 1.258 -9.322 -1.858) 9.588 56.384 ( -4.632 2.946 -6.555) 8.550 58.101 ( 0.984 0.077 0.147) 0.998 58.110 ( 0.802 -2.002 -0.126) 2.160 58.198 ( 0.496 -0.887 2.075) 2.311 58.527 ( -1.108 2.318 -2.893) 3.869 60.174 ( -0.054 0.203 0.012) 0.211 60.178 ( -0.042 0.016 -0.044) 0.062 ======================= Grid point 141 (56/124) ======================= q-point: ( 0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 1.447 8.167 9.208) 12.393 3.525 ( 5.912 -11.648 17.064) 21.490 3.857 ( 7.638 -19.551 8.809) 22.763 4.148 ( -1.199 -14.014 5.700) 15.176 4.578 ( -1.995 1.401 -6.735) 7.163 4.786 ( -13.008 -10.063 9.712) 19.099 5.090 ( -3.046 -16.690 26.706) 31.640 5.529 ( -5.871 -9.942 -11.037) 15.972 5.628 ( 17.000 16.987 -15.169) 28.419 5.902 ( 5.993 2.868 2.646) 7.152 5.962 ( -3.451 0.122 7.019) 7.822 6.323 ( -10.685 9.871 -5.302) 15.483 6.430 ( 16.623 -1.435 -0.282) 16.688 6.673 ( -4.258 2.622 -8.579) 9.931 6.740 ( 0.212 4.802 5.299) 7.154 7.141 ( 1.629 -3.815 -10.209) 11.020 7.214 ( 1.932 4.865 -13.261) 14.257 7.556 ( 10.609 10.737 -1.031) 15.130 7.981 ( -3.413 6.866 11.788) 14.062 8.128 ( 1.758 -2.439 10.836) 11.245 8.403 ( -5.946 4.848 -7.158) 10.492 8.690 ( -5.658 -6.755 20.266) 22.099 8.933 ( 8.209 18.317 24.589) 31.741 9.032 ( 7.522 -7.928 -5.262) 12.129 9.494 ( -14.302 -3.749 -4.686) 15.510 9.692 ( -15.275 -7.530 -3.593) 17.405 9.866 ( -9.337 -3.702 6.078) 11.739 10.187 ( 11.785 -11.506 9.692) 19.110 10.354 ( 2.810 6.814 -4.000) 8.386 10.471 ( 4.350 -0.124 6.676) 7.969 11.182 ( 4.694 -3.113 -9.512) 11.055 11.308 ( 9.259 -0.946 -7.436) 11.913 11.458 ( -3.456 -5.651 1.060) 6.708 11.746 ( -2.554 1.802 -4.134) 5.183 11.760 ( -8.606 4.925 -1.992) 10.113 11.960 ( -1.654 1.659 1.540) 2.803 12.037 ( -5.182 9.087 8.915) 13.744 12.742 ( 2.617 0.009 -2.761) 3.805 13.184 ( 5.237 -4.656 -17.544) 18.892 13.451 ( -1.249 -0.618 0.325) 1.431 13.562 ( 1.812 -1.630 -0.385) 2.468 13.814 ( -4.836 6.066 -13.910) 15.927 19.983 ( -7.998 -3.142 0.287) 8.597 20.151 ( -0.887 -4.449 1.541) 4.791 20.616 ( 2.576 3.377 -2.077) 4.727 20.931 ( -0.456 1.059 4.192) 4.348 21.053 ( -0.832 2.507 9.347) 9.713 21.412 ( 0.784 -0.558 0.886) 1.308 21.574 ( -3.824 -4.067 -3.348) 6.509 21.728 ( 1.309 0.417 2.196) 2.591 22.004 ( 2.871 9.673 -3.388) 10.644 22.104 ( 2.605 8.161 -8.924) 12.371 22.203 ( -2.778 -1.966 -4.835) 5.912 22.888 ( 0.421 -0.000 1.475) 1.534 24.375 ( -1.206 -8.871 7.120) 11.439 24.764 ( 2.579 -1.618 0.005) 3.044 25.075 ( 1.824 -1.677 -1.651) 2.978 25.345 ( 5.086 -0.603 -3.622) 6.273 25.486 ( -1.329 3.148 -4.082) 5.324 25.605 ( -2.300 0.865 -3.166) 4.008 25.867 ( 2.755 1.345 4.445) 5.400 26.632 ( -0.642 3.512 -8.780) 9.478 26.728 ( -1.592 -2.077 7.842) 8.267 26.948 ( 0.438 -0.604 4.965) 5.021 27.269 ( -1.482 0.965 -0.312) 1.796 27.345 ( -0.838 -0.549 -2.976) 3.140 38.267 ( 0.737 -1.193 0.410) 1.461 38.287 ( 1.337 -0.201 0.643) 1.498 38.360 ( -0.602 -2.191 -0.545) 2.336 38.482 ( -0.223 2.639 -2.054) 3.352 38.788 ( 0.384 -0.112 0.361) 0.538 38.844 ( 0.344 -0.345 -0.467) 0.675 51.769 ( -0.122 4.423 0.058) 4.425 52.111 ( 0.461 -6.703 -5.843) 8.904 52.409 ( -7.624 -3.105 2.890) 8.724 53.212 ( 1.493 -2.501 5.290) 6.039 53.543 ( -1.386 -0.110 -16.639) 16.697 53.576 ( -1.420 0.988 -5.902) 6.151 54.189 ( 1.076 6.520 3.908) 7.677 54.472 ( 1.996 1.254 -2.892) 3.730 54.750 ( -2.012 2.488 26.611) 26.803 54.902 ( 0.916 4.791 7.001) 8.532 55.466 ( 1.020 -10.114 -3.324) 10.695 56.274 ( -3.048 5.250 -6.530) 8.915 58.119 ( 2.247 -0.100 0.730) 2.364 58.170 ( 1.596 -3.216 -0.299) 3.602 58.209 ( -1.426 -1.325 1.334) 2.360 58.456 ( -1.776 3.984 -2.034) 4.813 60.169 ( -0.127 0.187 0.042) 0.230 60.176 ( -0.070 0.120 -0.060) 0.151 ======================= Grid point 142 (57/124) ======================= q-point: ( 0.60 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 1.391 3.356 8.645) 9.377 3.844 ( 7.604 -16.621 17.379) 25.222 4.238 ( -5.301 -19.238 15.036) 24.985 4.331 ( 8.420 -4.636 2.891) 10.037 4.513 ( -2.932 1.371 -3.657) 4.884 4.676 ( -18.447 -0.530 14.532) 23.489 5.425 ( 8.226 4.104 -1.655) 9.340 5.532 ( 8.524 -5.175 4.757) 11.049 5.617 ( 2.677 10.858 0.504) 11.194 5.784 ( -1.739 0.047 0.467) 1.802 5.997 ( -10.942 -2.161 -8.772) 14.190 6.116 ( 2.282 -6.609 3.608) 7.868 6.504 ( -2.581 10.438 -9.371) 14.262 6.614 ( 7.205 -3.142 -2.605) 8.281 6.730 ( 3.394 -0.716 -2.240) 4.129 7.002 ( -9.402 11.264 -18.132) 23.325 7.288 ( 3.822 -8.531 -9.515) 13.339 7.537 ( 7.480 4.922 -4.680) 10.104 7.855 ( -2.284 5.481 15.199) 16.318 8.173 ( -0.838 -0.386 21.247) 21.267 8.329 ( -1.242 -2.072 -12.793) 13.019 8.643 ( 8.090 19.055 34.571) 40.295 8.808 ( -5.638 -8.112 21.922) 24.045 9.162 ( -0.995 1.949 10.899) 11.117 9.353 ( -2.366 -1.862 -15.753) 16.039 9.813 ( -4.150 -10.390 -5.989) 12.690 9.865 ( -4.911 -4.347 2.942) 7.188 10.126 ( -1.261 9.968 -6.000) 11.703 10.390 ( 3.885 2.157 7.756) 8.939 10.672 ( 2.401 -13.718 7.959) 16.040 11.283 ( 2.458 -4.171 -13.390) 14.238 11.403 ( 6.126 -1.214 -7.482) 9.746 11.488 ( -3.495 8.343 3.788) 9.807 11.552 ( -3.796 -2.134 0.554) 4.390 11.728 ( 0.467 1.697 -4.166) 4.522 11.915 ( -0.391 1.728 2.879) 3.380 11.923 ( -1.629 1.630 2.449) 3.363 12.773 ( 1.415 -1.859 -3.040) 3.834 13.277 ( 2.288 -1.172 -14.885) 15.106 13.434 ( -2.361 0.284 -3.883) 4.553 13.593 ( 0.806 -0.285 -0.442) 0.962 13.693 ( -1.012 4.266 -10.917) 11.765 20.007 ( -3.833 -6.494 -0.337) 7.548 20.225 ( -0.629 -5.018 -0.256) 5.063 20.576 ( 1.139 3.105 -4.346) 5.462 20.928 ( 2.030 0.287 3.607) 4.149 21.000 ( -1.827 2.031 4.524) 5.285 21.414 ( 0.040 0.418 6.194) 6.209 21.633 ( -1.011 -5.005 -6.774) 8.483 21.721 ( 0.176 0.995 3.468) 3.612 21.822 ( 1.006 12.189 -4.017) 12.874 21.969 ( 1.045 9.387 1.257) 9.528 22.249 ( -0.837 -4.300 -3.726) 5.751 22.897 ( 0.245 -0.775 0.779) 1.126 24.528 ( -0.767 -9.760 5.642) 11.300 24.808 ( 1.091 -1.116 -0.273) 1.584 25.125 ( 0.912 -2.500 -1.541) 3.075 25.338 ( 0.930 4.893 -1.675) 5.255 25.450 ( 0.929 0.595 -6.131) 6.230 25.552 ( -1.720 2.858 -5.076) 6.074 25.844 ( 0.729 3.042 4.317) 5.331 26.580 ( -0.240 1.593 -8.657) 8.806 26.757 ( -0.652 -2.378 7.872) 8.250 26.969 ( 0.152 -1.146 5.092) 5.221 27.248 ( -0.247 0.262 0.826) 0.901 27.347 ( -0.470 -0.384 -2.765) 2.831 38.288 ( 0.772 0.683 0.691) 1.241 38.304 ( 0.159 -1.820 0.409) 1.872 38.395 ( -0.036 -2.222 -0.919) 2.404 38.430 ( -0.396 2.857 -1.390) 3.202 38.791 ( 0.141 0.070 0.382) 0.413 38.851 ( 0.138 -0.180 -0.499) 0.549 51.694 ( 0.047 3.970 1.138) 4.130 52.232 ( 0.465 -6.439 -9.649) 11.610 52.423 ( -3.638 -4.937 3.736) 7.181 53.276 ( 0.893 -3.474 5.290) 6.391 53.505 ( 0.382 3.307 0.681) 3.398 53.577 ( -1.912 -2.593 -22.554) 22.783 54.090 ( 0.647 5.867 4.229) 7.261 54.448 ( 1.299 3.490 -6.537) 7.523 54.688 ( -0.963 2.870 26.607) 26.779 54.849 ( 0.434 2.120 11.011) 11.222 55.655 ( 0.648 -10.764 -4.467) 11.672 56.145 ( -1.407 6.981 -6.279) 9.494 58.129 ( 1.724 1.831 1.437) 2.896 58.209 ( -0.396 -1.916 0.494) 2.018 58.268 ( 2.037 -4.000 -0.698) 4.543 58.362 ( -3.069 3.609 -1.389) 4.937 60.166 ( -0.052 0.112 0.054) 0.135 60.173 ( -0.115 -0.007 -0.057) 0.129 ======================= Grid point 143 (58/124) ======================= q-point: (-0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 0.000 -4.013 5.375) 6.708 4.140 ( 0.000 -9.037 15.147) 17.638 4.296 ( -0.000 9.620 14.702) 17.569 4.377 ( -0.000 12.345 6.438) 13.923 4.592 ( 0.000 -17.306 3.558) 17.668 4.623 ( 0.000 -9.768 7.609) 12.382 5.160 ( -0.000 20.959 -0.530) 20.966 5.287 ( -0.000 19.524 9.386) 21.663 5.781 ( -0.000 3.136 0.251) 3.146 5.887 ( 0.000 -20.671 1.543) 20.729 6.004 ( 0.000 -3.822 -16.012) 16.462 6.331 ( -0.000 5.061 -24.213) 24.736 6.384 ( 0.000 -12.533 11.256) 16.845 6.688 ( -0.000 0.937 -1.571) 1.830 6.764 ( 0.000 -0.074 -3.676) 3.676 6.805 ( 0.000 -2.337 -14.520) 14.706 7.452 ( 0.000 -5.895 -13.886) 15.086 7.469 ( -0.000 5.968 -11.098) 12.601 7.728 ( -0.000 8.954 18.594) 20.638 8.142 ( -0.000 3.084 28.969) 29.133 8.370 ( -0.000 14.479 35.223) 38.083 8.428 ( 0.000 -9.512 -9.321) 13.318 8.929 ( 0.000 -6.491 13.515) 14.992 9.104 ( 0.000 -1.178 7.944) 8.031 9.418 ( 0.000 -3.797 -0.279) 3.807 9.813 ( -0.000 4.694 3.900) 6.103 9.975 ( -0.000 4.814 0.188) 4.818 10.019 ( 0.000 -10.172 -10.249) 14.440 10.369 ( -0.000 1.974 2.263) 3.003 10.829 ( 0.000 -2.758 6.209) 6.794 11.246 ( -0.000 13.807 3.347) 14.207 11.343 ( 0.000 -0.497 -16.355) 16.362 11.491 ( 0.000 -5.865 -3.461) 6.810 11.628 ( 0.000 -4.915 -3.480) 6.023 11.707 ( -0.000 0.890 -1.459) 1.709 11.897 ( -0.000 0.502 5.367) 5.390 11.920 ( 0.000 -2.214 -0.315) 2.236 12.843 ( 0.000 -5.132 -4.779) 7.012 13.263 ( -0.000 3.479 -12.211) 12.697 13.419 ( 0.000 -0.332 -6.588) 6.596 13.583 ( -0.000 1.891 -0.051) 1.892 13.641 ( -0.000 1.457 -8.308) 8.434 20.125 ( 0.000 -8.913 0.063) 8.913 20.312 ( 0.000 -5.252 -1.659) 5.507 20.544 ( -0.000 0.670 -7.159) 7.191 20.938 ( -0.000 2.624 -3.072) 4.040 20.960 ( 0.000 -0.715 3.442) 3.516 21.410 ( 0.000 -0.026 8.621) 8.621 21.634 ( -0.000 9.358 2.598) 9.712 21.676 ( -0.000 1.175 1.372) 1.806 21.735 ( 0.000 -3.818 -5.744) 6.897 21.814 ( -0.000 8.661 6.688) 10.943 22.313 ( 0.000 -3.275 -2.561) 4.158 22.918 ( 0.000 -1.359 -0.273) 1.387 24.681 ( 0.000 -7.640 3.168) 8.271 24.818 ( -0.000 0.635 -0.289) 0.698 25.176 ( 0.000 -2.764 -1.103) 2.976 25.243 ( -0.000 5.836 -1.836) 6.118 25.454 ( 0.000 -0.552 -4.456) 4.490 25.480 ( -0.000 4.224 -6.762) 7.973 25.787 ( -0.000 3.673 4.663) 5.935 26.571 ( 0.000 -0.370 -9.813) 9.820 26.793 ( 0.000 -2.078 7.519) 7.800 26.979 ( -0.000 0.274 5.359) 5.366 27.262 ( 0.000 -1.971 1.399) 2.417 27.349 ( 0.000 -0.173 -2.584) 2.590 38.269 ( -0.000 1.628 0.608) 1.738 38.339 ( 0.000 -1.783 0.332) 1.813 38.376 ( -0.000 2.767 -0.998) 2.941 38.438 ( 0.000 -2.303 -1.141) 2.570 38.788 ( -0.000 0.338 0.390) 0.516 38.853 ( -0.000 0.121 -0.538) 0.551 51.640 ( -0.000 2.182 1.868) 2.872 52.333 ( 0.000 -4.756 -13.882) 14.674 52.504 ( 0.000 -6.364 4.143) 7.594 53.346 ( 0.000 -3.909 4.469) 5.938 53.455 ( -0.000 2.529 5.255) 5.832 53.612 ( 0.000 -2.407 -23.352) 23.475 54.004 ( -0.000 4.297 4.475) 6.204 54.380 ( -0.000 4.947 -7.676) 9.132 54.638 ( -0.000 2.136 25.560) 25.649 54.834 ( -0.000 0.043 13.702) 13.702 55.848 ( 0.000 -11.202 -5.347) 12.413 56.006 ( -0.000 8.243 -5.906) 10.140 58.097 ( -0.000 2.404 1.213) 2.692 58.248 ( -0.000 5.267 -1.054) 5.372 58.248 ( 0.000 -2.006 0.790) 2.156 58.383 ( 0.000 -5.682 -1.236) 5.815 60.163 ( -0.000 0.195 0.102) 0.220 60.177 ( 0.000 -0.415 -0.103) 0.428 ======================= Grid point 150 (59/124) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( -4.640 0.000 22.094) 22.576 3.416 ( 12.942 -0.000 18.753) 22.786 3.547 ( 6.503 -0.000 35.896) 36.480 3.734 ( 3.552 -0.000 -5.502) 6.549 4.272 ( 4.777 -0.000 -7.355) 8.770 4.634 ( -3.744 0.000 6.415) 7.428 5.014 ( -17.897 0.000 18.079) 25.439 5.281 ( -21.251 0.000 -2.152) 21.360 5.835 ( 16.045 -0.000 -19.829) 25.508 5.951 ( 2.378 -0.000 6.605) 7.020 6.044 ( 6.291 -0.000 -3.707) 7.302 6.360 ( 11.488 -0.000 -4.866) 12.476 6.574 ( 1.825 -0.000 5.368) 5.670 6.746 ( 8.992 -0.000 12.596) 15.476 6.829 ( -8.294 0.000 -5.934) 10.198 7.127 ( -4.980 0.000 -14.567) 15.395 7.177 ( 19.009 -0.000 -16.277) 25.026 7.825 ( 2.670 -0.000 -1.433) 3.031 8.246 ( -11.687 0.000 32.838) 34.856 8.261 ( 6.798 -0.000 7.394) 10.044 8.462 ( -2.971 0.000 3.233) 4.391 8.616 ( 4.203 -0.000 -16.942) 17.455 8.760 ( 10.214 -0.000 -7.233) 12.516 8.991 ( -23.272 0.000 -18.002) 29.422 9.506 ( -0.840 0.000 7.143) 7.192 9.605 ( -1.394 0.000 17.656) 17.711 9.804 ( 5.062 -0.000 14.029) 14.915 9.814 ( -19.897 0.000 10.283) 22.397 10.444 ( 4.332 -0.000 7.809) 8.931 10.607 ( 7.915 -0.000 -8.165) 11.372 11.134 ( 4.495 -0.000 -2.022) 4.929 11.295 ( 10.320 -0.000 -7.531) 12.776 11.308 ( -6.961 0.000 1.787) 7.187 11.810 ( -12.629 0.000 -1.876) 12.767 11.822 ( 2.842 -0.000 -9.167) 9.597 11.991 ( -1.788 0.000 0.084) 1.790 12.248 ( -11.675 0.000 14.864) 18.900 12.746 ( 4.182 -0.000 -5.415) 6.841 13.073 ( 7.558 -0.000 -19.557) 20.967 13.442 ( -0.656 0.000 2.183) 2.279 13.516 ( 1.870 -0.000 -0.091) 1.872 13.938 ( -6.851 0.000 -15.402) 16.857 19.944 ( -8.560 0.000 2.069) 8.806 20.061 ( 0.171 -0.000 2.604) 2.610 20.687 ( 2.983 -0.000 0.033) 2.983 20.953 ( -3.185 0.000 3.758) 4.926 21.114 ( 0.103 -0.000 15.387) 15.387 21.376 ( 1.307 -0.000 -2.338) 2.678 21.508 ( -4.830 0.000 -1.722) 5.128 21.732 ( 2.136 -0.000 0.838) 2.294 22.070 ( 0.382 -0.000 -3.997) 4.016 22.252 ( -0.859 0.000 -1.077) 1.378 22.299 ( 1.181 -0.000 -23.359) 23.388 22.902 ( 0.721 -0.000 1.062) 1.284 24.198 ( 0.660 -0.000 9.526) 9.549 24.733 ( 2.992 -0.000 0.143) 2.996 25.052 ( 2.203 -0.000 -1.955) 2.946 25.301 ( 5.904 -0.000 -4.734) 7.567 25.572 ( 0.170 -0.000 -0.288) 0.335 25.590 ( -3.979 0.000 -2.184) 4.539 25.883 ( 4.271 -0.000 5.104) 6.655 26.681 ( -1.497 0.000 5.300) 5.507 26.723 ( -1.214 0.000 -6.871) 6.977 26.949 ( -0.096 0.000 4.408) 4.409 27.285 ( -1.975 0.000 -1.568) 2.522 27.332 ( -0.842 0.000 -3.213) 3.322 38.246 ( 0.796 -0.000 0.274) 0.842 38.288 ( 0.497 -0.000 -0.393) 0.633 38.307 ( 0.333 -0.000 1.035) 1.088 38.534 ( -0.023 0.000 -2.713) 2.713 38.785 ( 0.457 -0.000 0.333) 0.566 38.836 ( 0.411 -0.000 -0.425) 0.592 51.881 ( -0.134 0.000 -2.540) 2.544 51.953 ( 1.057 -0.000 -1.650) 1.959 52.352 ( -8.773 0.000 3.292) 9.370 53.169 ( 1.616 -0.000 6.036) 6.249 53.513 ( -2.921 0.000 -22.771) 22.957 53.624 ( 0.185 -0.000 -1.029) 1.046 54.358 ( 1.278 -0.000 2.088) 2.448 54.448 ( 0.349 -0.000 1.021) 1.079 54.796 ( -2.113 0.000 28.091) 28.171 55.121 ( 0.554 -0.000 0.465) 0.723 55.162 ( 1.190 -0.000 -0.367) 1.246 56.368 ( -3.468 0.000 -6.690) 7.536 58.095 ( 0.324 -0.000 -0.052) 0.328 58.103 ( 0.132 -0.000 -0.190) 0.232 58.201 ( 0.912 -0.000 2.548) 2.707 58.540 ( -0.689 0.000 -2.659) 2.747 60.177 ( -0.078 0.000 -0.017) 0.080 60.177 ( 0.045 -0.000 -0.022) 0.050 ======================= Grid point 151 (60/124) ======================= q-point: ( 0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -1.863 0.245 19.287) 19.378 3.428 ( 1.429 -0.058 19.859) 19.910 3.669 ( 4.613 -8.142 27.784) 29.318 3.955 ( 7.016 -11.983 2.897) 14.185 4.392 ( -4.280 -8.877 -2.424) 10.148 4.711 ( 4.846 -9.760 15.718) 19.126 4.835 ( -8.943 2.267 13.817) 16.614 5.188 ( -14.652 -11.026 -4.951) 18.994 5.880 ( -0.939 -0.841 4.175) 4.361 6.007 ( 11.426 5.479 -13.259) 18.341 6.091 ( 6.618 2.748 -3.812) 8.116 6.388 ( -0.310 8.401 -0.689) 8.435 6.509 ( -1.033 4.249 -6.691) 7.993 6.761 ( -0.576 0.503 -3.353) 3.440 6.788 ( 1.266 1.217 5.739) 6.001 7.091 ( -1.145 -1.490 -14.725) 14.844 7.362 ( 12.934 5.258 -16.579) 21.675 7.814 ( 6.500 5.497 -2.855) 8.979 8.081 ( -2.349 5.561 30.213) 30.810 8.220 ( 2.678 11.972 -1.528) 12.363 8.386 ( -5.898 1.073 10.585) 12.165 8.570 ( -3.926 0.251 -6.453) 7.558 8.892 ( -2.333 -12.097 -16.070) 20.249 9.128 ( -0.875 -20.044 -8.389) 21.746 9.326 ( 6.230 13.884 16.992) 22.811 9.562 ( -16.323 7.014 14.533) 22.953 9.683 ( -7.044 -6.566 10.024) 13.900 10.026 ( 8.062 -15.172 13.884) 22.089 10.452 ( 1.314 2.888 5.097) 6.004 10.613 ( 4.172 6.730 -8.482) 11.604 11.160 ( 0.896 -0.756 -5.009) 5.144 11.324 ( -2.022 -6.359 2.660) 7.183 11.374 ( 4.093 -0.728 -8.206) 9.199 11.691 ( -7.578 1.375 -1.060) 7.774 11.816 ( 1.183 2.836 -7.963) 8.536 11.968 ( -1.017 0.981 -0.254) 1.436 12.122 ( -3.704 5.429 12.615) 14.224 12.771 ( 1.635 0.437 -4.096) 4.432 13.171 ( 5.339 -3.125 -19.293) 20.260 13.430 ( -1.653 -0.120 -0.063) 1.659 13.546 ( 0.988 -1.585 -0.348) 1.900 13.853 ( -3.482 3.411 -14.330) 15.136 19.886 ( -4.476 -1.042 2.013) 5.017 20.086 ( 0.050 -2.563 1.806) 3.136 20.689 ( 1.643 2.356 -0.485) 2.913 20.923 ( -1.933 0.093 3.354) 3.873 21.097 ( 0.285 2.235 15.081) 15.249 21.411 ( 2.342 -1.449 -1.341) 3.063 21.477 ( -4.175 -1.944 -1.804) 4.946 21.746 ( 0.947 0.302 1.033) 1.434 22.093 ( 1.080 -1.955 -4.412) 4.946 22.197 ( -1.106 5.374 -2.611) 6.076 22.258 ( 0.754 5.527 -18.811) 19.621 22.900 ( 0.399 0.708 1.805) 1.979 24.247 ( -0.030 -4.986 8.958) 10.252 24.764 ( 1.561 -0.874 -0.344) 1.822 25.072 ( 1.145 -0.476 -1.895) 2.265 25.373 ( 4.646 -1.870 -5.540) 7.468 25.517 ( -2.611 2.902 -1.799) 4.299 25.588 ( -1.059 -0.618 -1.169) 1.694 25.909 ( 1.913 0.719 4.879) 5.290 26.679 ( -0.298 0.077 1.308) 1.343 26.689 ( -1.162 1.367 -1.680) 2.458 26.946 ( 0.034 0.047 4.579) 4.579 27.267 ( -0.989 0.330 -1.072) 1.495 27.330 ( -0.428 -0.409 -3.165) 3.220 38.256 ( 0.353 -0.526 0.286) 0.695 38.298 ( 1.251 -0.358 0.361) 1.350 38.319 ( -0.785 -1.321 0.191) 1.548 38.519 ( -0.054 1.590 -2.259) 2.763 38.789 ( 0.230 -0.085 0.343) 0.421 38.842 ( 0.207 -0.238 -0.433) 0.536 51.839 ( -0.053 3.658 -1.404) 3.919 52.016 ( 0.824 -4.968 -3.949) 6.400 52.300 ( -4.754 -1.935 4.205) 6.635 53.193 ( 1.027 -1.227 6.513) 6.707 53.500 ( -1.664 -1.225 -24.195) 24.283 53.609 ( 0.030 1.805 -0.759) 1.959 54.305 ( 0.525 5.639 2.767) 6.303 54.479 ( 0.622 -1.655 -1.144) 2.106 54.768 ( -1.100 1.379 27.970) 28.026 55.012 ( 0.456 6.932 2.884) 7.522 55.305 ( 0.503 -9.344 -1.964) 9.561 56.318 ( -1.762 2.691 -6.688) 7.421 58.116 ( 0.432 -1.403 -0.058) 1.469 58.122 ( 0.363 -2.617 -0.151) 2.646 58.202 ( 0.006 0.706 2.394) 2.496 58.509 ( -0.500 2.851 -2.259) 3.671 60.172 ( -0.061 0.276 0.024) 0.283 60.178 ( 0.014 0.047 -0.057) 0.075 ======================= Grid point 152 (61/124) ======================= q-point: ( 0.60 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -0.000 7.741 14.979) 16.861 3.584 ( 0.000 -15.585 20.563) 25.802 3.900 ( 0.000 -15.529 22.884) 27.656 4.215 ( 0.000 -13.698 1.237) 13.754 4.472 ( 0.000 -4.931 5.001) 7.023 4.636 ( -0.000 7.938 -1.194) 8.028 5.136 ( 0.000 -24.320 27.965) 37.061 5.369 ( 0.000 -16.744 -10.112) 19.561 5.908 ( 0.000 -1.992 2.547) 3.234 5.972 ( -0.000 13.262 -11.224) 17.374 6.002 ( -0.000 8.583 3.456) 9.253 6.063 ( -0.000 15.104 -4.704) 15.819 6.528 ( 0.000 -4.408 -1.248) 4.582 6.703 ( -0.000 8.995 1.573) 9.132 6.780 ( 0.000 -0.518 -9.478) 9.493 7.165 ( 0.000 -6.723 -11.615) 13.420 7.206 ( -0.000 15.463 -22.335) 27.165 7.709 ( -0.000 9.897 -11.256) 14.988 7.958 ( -0.000 6.913 28.190) 29.026 8.167 ( -0.000 0.178 16.727) 16.727 8.293 ( -0.000 0.434 -12.469) 12.477 8.630 ( 0.000 -6.821 15.761) 17.173 9.077 ( -0.000 21.300 30.632) 37.310 9.115 ( 0.000 -11.278 -6.966) 13.255 9.308 ( -0.000 4.069 0.733) 4.134 9.491 ( 0.000 -18.051 -7.441) 19.524 9.761 ( 0.000 -6.318 7.528) 9.828 10.336 ( -0.000 11.227 -5.214) 12.379 10.385 ( 0.000 -19.362 10.400) 21.979 10.500 ( -0.000 6.746 2.940) 7.359 11.211 ( 0.000 -4.411 -9.379) 10.365 11.411 ( 0.000 -1.263 -7.264) 7.373 11.432 ( 0.000 -6.337 1.608) 6.538 11.606 ( -0.000 4.714 0.861) 4.792 11.768 ( -0.000 2.758 -6.461) 7.025 11.940 ( -0.000 1.517 0.138) 1.523 11.996 ( -0.000 6.660 8.336) 10.670 12.769 ( -0.000 0.313 -3.023) 3.039 13.257 ( 0.000 -3.122 -17.130) 17.413 13.421 ( 0.000 -0.078 -2.293) 2.294 13.581 ( 0.000 -1.570 -0.621) 1.688 13.764 ( -0.000 4.661 -12.585) 13.421 19.900 ( 0.000 -3.446 0.746) 3.526 20.144 ( 0.000 -4.048 0.814) 4.129 20.644 ( -0.000 3.648 -2.017) 4.169 20.920 ( 0.000 -0.866 3.707) 3.807 21.048 ( -0.000 3.386 11.119) 11.623 21.427 ( -0.000 0.693 4.365) 4.420 21.528 ( 0.000 -5.712 -6.043) 8.316 21.740 ( -0.000 0.849 2.017) 2.188 22.038 ( -0.000 11.224 -5.555) 12.524 22.135 ( -0.000 8.702 -8.201) 11.958 22.165 ( 0.000 -4.499 -4.657) 6.475 22.893 ( -0.000 0.131 1.871) 1.876 24.363 ( 0.000 -8.417 7.749) 11.440 24.791 ( 0.000 -1.355 -0.398) 1.412 25.094 ( 0.000 -1.528 -1.732) 2.310 25.432 ( -0.000 4.617 -1.415) 4.829 25.440 ( 0.000 -1.883 -6.695) 6.954 25.578 ( -0.000 1.149 -3.066) 3.274 25.894 ( -0.000 2.067 4.420) 4.880 26.624 ( -0.000 3.438 -8.068) 8.770 26.712 ( 0.000 -2.324 8.075) 8.402 26.952 ( 0.000 -0.728 4.909) 4.963 27.255 ( -0.000 0.590 -0.147) 0.608 27.336 ( 0.000 -0.534 -2.989) 3.036 38.275 ( 0.000 -1.424 0.387) 1.476 38.305 ( -0.000 0.452 0.923) 1.028 38.349 ( 0.000 -2.570 -0.755) 2.679 38.480 ( -0.000 2.757 -1.798) 3.291 38.792 ( 0.000 -0.063 0.363) 0.368 38.848 ( 0.000 -0.306 -0.460) 0.552 51.768 ( -0.000 4.353 -0.047) 4.354 52.121 ( 0.000 -6.459 -6.807) 9.384 52.326 ( 0.000 -3.752 4.558) 5.903 53.230 ( 0.000 -2.425 6.372) 6.818 53.522 ( 0.000 -2.262 -24.802) 24.905 53.566 ( -0.000 3.108 0.113) 3.110 54.201 ( -0.000 6.418 3.613) 7.365 54.493 ( -0.000 0.792 -4.394) 4.465 54.729 ( -0.000 2.435 27.807) 27.913 54.911 ( -0.000 4.804 6.852) 8.368 55.476 ( 0.000 -10.196 -3.376) 10.741 56.242 ( -0.000 5.035 -6.529) 8.245 58.157 ( 0.000 -2.658 0.100) 2.660 58.177 ( -0.000 1.867 2.095) 2.806 58.190 ( 0.000 -4.806 -0.385) 4.822 58.437 ( -0.000 4.951 -1.851) 5.286 60.168 ( -0.000 0.184 0.051) 0.191 60.176 ( -0.000 0.198 -0.066) 0.209 ======================= Grid point 163 (62/124) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 0.000 -0.000 23.004) 23.004 3.472 ( 0.000 -0.000 22.951) 22.951 3.639 ( -0.000 0.000 38.536) 38.536 3.874 ( 0.000 -0.000 1.785) 1.785 4.305 ( 0.000 -0.000 -9.162) 9.162 4.599 ( 0.000 -0.000 33.120) 33.120 4.857 ( 0.000 -0.000 -2.927) 2.927 4.997 ( 0.000 -0.000 -4.115) 4.115 5.864 ( 0.000 -0.000 6.871) 6.871 6.101 ( 0.000 -0.000 -16.720) 16.720 6.122 ( 0.000 -0.000 -2.392) 2.392 6.551 ( 0.000 -0.000 -10.809) 10.809 6.574 ( 0.000 -0.000 -0.751) 0.751 6.673 ( -0.000 0.000 -3.981) 3.981 6.797 ( 0.000 -0.000 7.350) 7.350 7.072 ( 0.000 -0.000 -14.613) 14.613 7.539 ( 0.000 -0.000 -14.219) 14.219 7.854 ( 0.000 -0.000 -1.063) 1.063 8.125 ( 0.000 -0.000 35.083) 35.083 8.375 ( 0.000 -0.000 23.000) 23.000 8.412 ( -0.000 0.000 -6.515) 6.515 8.604 ( 0.000 -0.000 -21.458) 21.458 8.659 ( 0.000 -0.000 -23.412) 23.412 8.921 ( 0.000 -0.000 -8.600) 8.600 9.452 ( 0.000 -0.000 9.094) 9.094 9.578 ( 0.000 -0.000 15.394) 15.394 9.597 ( -0.000 0.000 16.926) 16.926 9.907 ( 0.000 -0.000 18.620) 18.620 10.484 ( 0.000 -0.000 6.496) 6.496 10.702 ( 0.000 -0.000 -10.910) 10.910 11.186 ( 0.000 -0.000 -1.897) 1.897 11.227 ( 0.000 -0.000 3.116) 3.116 11.375 ( 0.000 -0.000 -8.355) 8.355 11.668 ( 0.000 -0.000 -2.843) 2.843 11.851 ( 0.000 -0.000 -8.325) 8.325 11.972 ( 0.000 -0.000 -0.522) 0.522 12.150 ( 0.000 -0.000 13.756) 13.756 12.783 ( 0.000 -0.000 -4.773) 4.773 13.172 ( 0.000 -0.000 -20.268) 20.268 13.419 ( 0.000 -0.000 -0.292) 0.292 13.536 ( 0.000 -0.000 -0.233) 0.233 13.865 ( 0.000 -0.000 -14.349) 14.349 19.855 ( 0.000 -0.000 2.935) 2.935 20.064 ( 0.000 -0.000 1.816) 1.816 20.719 ( 0.000 -0.000 0.001) 0.001 20.912 ( 0.000 -0.000 3.172) 3.172 21.120 ( 0.000 -0.000 16.980) 16.980 21.408 ( 0.000 -0.000 -4.350) 4.350 21.439 ( -0.000 0.000 0.633) 0.633 21.754 ( 0.000 -0.000 0.636) 0.636 22.073 ( 0.000 -0.000 -5.678) 5.678 22.245 ( 0.000 -0.000 0.369) 0.369 22.311 ( 0.000 -0.000 -22.876) 22.876 22.910 ( 0.000 -0.000 1.414) 1.414 24.204 ( 0.000 -0.000 9.467) 9.467 24.764 ( 0.000 -0.000 -0.535) 0.535 25.075 ( 0.000 -0.000 -2.012) 2.012 25.378 ( 0.000 -0.000 -6.420) 6.420 25.533 ( 0.000 -0.000 -0.556) 0.556 25.573 ( 0.000 -0.000 -0.279) 0.279 25.925 ( 0.000 -0.000 5.123) 5.123 26.665 ( 0.000 -0.000 7.965) 7.965 26.710 ( 0.000 -0.000 -8.110) 8.110 26.947 ( 0.000 -0.000 4.356) 4.356 27.265 ( 0.000 -0.000 -1.388) 1.388 27.324 ( 0.000 -0.000 -3.242) 3.242 38.255 ( 0.000 -0.000 0.196) 0.196 38.293 ( 0.000 -0.000 -0.406) 0.406 38.310 ( 0.000 -0.000 1.177) 1.177 38.533 ( 0.000 -0.000 -2.319) 2.319 38.790 ( 0.000 -0.000 0.335) 0.335 38.841 ( 0.000 -0.000 -0.420) 0.420 51.880 ( 0.000 -0.000 -2.589) 2.589 51.968 ( 0.000 -0.000 -2.894) 2.894 52.259 ( 0.000 -0.000 4.794) 4.794 53.188 ( 0.000 -0.000 7.090) 7.090 53.480 ( 0.000 -0.000 -24.811) 24.811 53.626 ( 0.000 -0.000 -0.983) 0.983 54.371 ( 0.000 -0.000 1.803) 1.803 54.453 ( 0.000 -0.000 0.191) 0.191 54.775 ( 0.000 -0.000 28.187) 28.187 55.127 ( 0.000 -0.000 0.472) 0.472 55.174 ( 0.000 -0.000 -0.484) 0.484 56.332 ( 0.000 -0.000 -6.753) 6.753 58.099 ( 0.000 -0.000 -0.068) 0.068 58.105 ( 0.000 -0.000 -0.176) 0.176 58.210 ( 0.000 -0.000 2.582) 2.582 58.533 ( 0.000 -0.000 -2.321) 2.321 60.176 ( 0.000 -0.000 -0.008) 0.008 60.177 ( 0.000 -0.000 -0.033) 0.033 ======================= Grid point 210 (63/124) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 0.000 0.000 41.513) 41.513 2.338 ( 0.000 0.000 54.109) 54.109 3.355 ( 0.000 0.000 -34.238) 34.238 3.756 ( 0.000 0.000 86.847) 86.847 4.017 ( 0.000 0.000 -6.943) 6.943 4.131 ( 0.000 0.000 -27.596) 27.596 4.816 ( 0.000 0.000 -28.246) 28.246 5.620 ( 0.000 0.000 1.024) 1.024 5.765 ( 0.000 0.000 37.441) 37.441 5.785 ( 0.000 0.000 -0.983) 0.983 6.253 ( 0.000 0.000 2.396) 2.396 6.261 ( 0.000 0.000 20.794) 20.794 6.282 ( 0.000 0.000 -2.377) 2.377 6.866 ( 0.000 0.000 -57.219) 57.219 7.027 ( 0.000 0.000 -13.082) 13.082 7.143 ( 0.000 0.000 -21.261) 21.261 7.173 ( 0.000 0.000 17.388) 17.388 7.534 ( 0.000 0.000 10.978) 10.978 8.139 ( 0.000 0.000 4.491) 4.491 8.183 ( 0.000 0.000 1.006) 1.006 8.284 ( 0.000 0.000 -9.791) 9.791 8.463 ( 0.000 0.000 -10.941) 10.941 8.731 ( 0.000 0.000 -5.880) 5.880 8.951 ( 0.000 0.000 -15.600) 15.600 9.541 ( 0.000 0.000 8.584) 8.584 9.589 ( 0.000 0.000 8.596) 8.596 9.619 ( 0.000 0.000 8.162) 8.162 9.728 ( 0.000 0.000 2.575) 2.575 10.193 ( 0.000 0.000 23.865) 23.865 10.764 ( 0.000 0.000 11.894) 11.894 11.051 ( 0.000 0.000 -21.033) 21.033 11.298 ( 0.000 0.000 -15.285) 15.285 12.076 ( 0.000 0.000 24.615) 24.615 12.274 ( 0.000 0.000 4.648) 4.648 12.287 ( 0.000 0.000 5.608) 5.608 12.481 ( 0.000 0.000 -3.794) 3.794 12.507 ( 0.000 0.000 -1.117) 1.117 12.831 ( 0.000 0.000 -13.409) 13.409 13.305 ( 0.000 0.000 -0.647) 0.647 13.372 ( 0.000 0.000 -0.036) 0.036 14.055 ( 0.000 0.000 -2.588) 2.588 14.193 ( 0.000 0.000 -13.622) 13.622 20.348 ( 0.000 0.000 1.865) 1.865 20.496 ( 0.000 0.000 19.967) 19.967 20.633 ( 0.000 0.000 -9.011) 9.011 21.052 ( 0.000 0.000 2.746) 2.746 21.090 ( 0.000 0.000 7.400) 7.400 21.243 ( 0.000 0.000 -11.336) 11.336 21.283 ( 0.000 0.000 -3.444) 3.444 21.335 ( 0.000 0.000 -2.615) 2.615 21.802 ( 0.000 0.000 0.437) 0.437 22.093 ( 0.000 0.000 -10.754) 10.754 22.333 ( 0.000 0.000 12.199) 12.199 22.802 ( 0.000 0.000 -7.098) 7.098 24.367 ( 0.000 0.000 12.572) 12.572 24.800 ( 0.000 0.000 -8.080) 8.080 24.915 ( 0.000 0.000 1.082) 1.082 25.050 ( 0.000 0.000 -5.907) 5.907 25.321 ( 0.000 0.000 1.352) 1.352 25.338 ( 0.000 0.000 1.132) 1.132 25.531 ( 0.000 0.000 1.040) 1.040 25.648 ( 0.000 0.000 -4.708) 4.708 27.040 ( 0.000 0.000 7.817) 7.817 27.057 ( 0.000 0.000 8.733) 8.733 27.325 ( 0.000 0.000 -5.393) 5.393 27.384 ( 0.000 0.000 -6.304) 6.304 38.222 ( 0.000 0.000 0.037) 0.037 38.224 ( 0.000 0.000 -0.041) 0.041 38.227 ( 0.000 0.000 0.451) 0.451 38.245 ( 0.000 0.000 -0.355) 0.355 38.750 ( 0.000 0.000 0.698) 0.698 38.783 ( 0.000 0.000 -0.786) 0.786 51.964 ( 0.000 0.000 1.225) 1.225 51.977 ( 0.000 0.000 0.806) 0.806 53.313 ( 0.000 0.000 -0.158) 0.158 53.322 ( 0.000 0.000 -0.586) 0.586 53.434 ( 0.000 0.000 -3.086) 3.086 53.520 ( 0.000 0.000 -6.278) 6.278 54.359 ( 0.000 0.000 9.874) 9.874 54.633 ( 0.000 0.000 -2.849) 2.849 55.067 ( 0.000 0.000 0.447) 0.447 55.069 ( 0.000 0.000 0.347) 0.347 56.389 ( 0.000 0.000 5.701) 5.701 56.638 ( 0.000 0.000 -5.415) 5.415 58.038 ( 0.000 0.000 0.009) 0.009 58.038 ( 0.000 0.000 -0.020) 0.020 58.086 ( 0.000 0.000 0.215) 0.215 58.094 ( 0.000 0.000 -0.167) 0.167 60.173 ( 0.000 0.000 0.119) 0.119 60.179 ( 0.000 0.000 -0.145) 0.145 ======================= Grid point 211 (64/124) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 4.768 -15.794 39.008) 42.353 2.458 ( 7.347 -11.156 48.659) 50.459 3.466 ( 4.348 -8.806 -27.684) 29.375 3.848 ( -10.007 -10.295 16.749) 22.060 4.147 ( 1.889 -1.459 -25.371) 25.483 4.215 ( 22.377 -13.496 48.063) 54.707 4.709 ( -9.837 4.539 -26.417) 28.552 5.503 ( 2.118 12.032 0.058) 12.217 5.734 ( 2.117 8.571 -4.262) 9.804 5.818 ( 8.903 1.476 27.799) 29.227 6.211 ( -9.809 -3.968 11.233) 15.432 6.421 ( 7.092 -10.260 5.367) 13.578 6.453 ( -1.892 -13.133 -1.627) 13.368 6.910 ( -2.074 -1.950 -33.525) 33.646 7.026 ( 5.414 -3.015 -21.192) 22.080 7.117 ( -2.732 1.878 2.079) 3.913 7.168 ( 0.871 1.128 -11.592) 11.679 7.563 ( -5.660 -4.516 5.288) 8.966 7.971 ( -10.295 7.781 0.003) 12.905 8.121 ( -3.390 2.982 -0.307) 4.525 8.266 ( 11.984 1.426 5.930) 13.447 8.630 ( -10.109 -10.975 -5.235) 15.813 8.914 ( 15.951 -13.428 -12.488) 24.304 9.062 ( 7.306 -6.203 -15.567) 18.280 9.427 ( 1.881 8.253 14.483) 16.776 9.647 ( 1.428 -1.950 4.951) 5.509 9.710 ( -0.678 -0.975 1.935) 2.270 9.766 ( 2.882 -10.458 6.054) 12.422 10.175 ( 3.162 2.961 25.959) 26.318 10.769 ( 0.629 -0.239 8.263) 8.290 11.096 ( 2.410 -3.448 -20.648) 21.072 11.322 ( 1.165 -1.943 -15.699) 15.862 11.853 ( -10.268 18.297 21.670) 30.163 12.215 ( -3.440 10.131 4.544) 11.624 12.251 ( -2.049 1.457 4.650) 5.286 12.404 ( -5.658 10.236 -0.238) 11.698 12.492 ( -5.741 3.601 -5.497) 8.726 12.565 ( -5.688 8.844 -6.685) 12.460 13.285 ( 0.327 1.253 1.584) 2.046 13.403 ( 0.958 -2.164 -0.244) 2.379 13.856 ( -7.927 12.789 4.591) 15.731 14.108 ( -3.016 7.848 -13.800) 16.159 20.349 ( 2.118 1.233 2.009) 3.169 20.574 ( -6.012 -6.278 9.207) 12.662 20.692 ( 3.589 -4.073 -4.694) 7.177 20.928 ( -0.802 8.192 2.634) 8.642 21.181 ( 1.681 6.353 -4.764) 8.116 21.219 ( 3.260 -5.999 3.722) 7.776 21.316 ( 3.795 -3.808 -7.344) 9.102 21.413 ( 2.408 -5.054 -2.775) 6.249 21.795 ( -0.468 0.498 0.977) 1.192 22.111 ( -0.998 -2.460 -10.658) 10.984 22.305 ( -0.298 2.764 13.294) 13.581 22.813 ( -0.528 -1.420 -7.563) 7.714 24.398 ( 0.603 -3.231 9.543) 10.093 24.764 ( -3.066 1.420 -6.255) 7.109 24.918 ( -0.474 -0.881 0.585) 1.159 25.018 ( -5.135 -3.116 -3.672) 7.040 25.403 ( 4.682 -3.631 3.036) 6.657 25.447 ( 7.921 -1.465 2.892) 8.559 25.641 ( -0.100 0.660 -4.663) 4.711 25.740 ( 10.829 -16.481 -12.012) 23.091 27.030 ( -1.117 0.283 8.150) 8.231 27.054 ( 0.299 0.469 8.528) 8.546 27.318 ( -0.402 0.524 -5.345) 5.385 27.379 ( -0.814 0.085 -6.262) 6.316 38.218 ( 0.418 0.451 0.333) 0.700 38.227 ( -0.535 -0.964 -0.108) 1.108 38.265 ( 1.667 -1.274 -0.267) 2.114 38.288 ( 1.832 -4.356 -2.060) 5.155 38.754 ( 0.232 -0.257 0.726) 0.805 38.788 ( 0.210 -0.403 -0.815) 0.933 51.931 ( -1.010 2.881 1.603) 3.448 51.990 ( -0.531 -1.431 -1.582) 2.199 53.204 ( -5.337 5.061 2.220) 7.683 53.334 ( -5.525 -1.360 -3.360) 6.608 53.466 ( 4.167 -0.298 -3.001) 5.144 53.530 ( -0.675 -1.421 -5.539) 5.758 54.326 ( 0.233 3.779 8.915) 9.686 54.554 ( -1.895 7.548 -1.470) 7.920 55.001 ( 0.502 3.122 4.561) 5.549 55.168 ( 0.414 -6.277 -3.087) 7.007 56.029 ( -11.790 23.095 22.415) 34.276 56.560 ( -3.207 6.565 -7.639) 10.571 58.041 ( 1.122 0.709 0.134) 1.334 58.046 ( 1.134 0.246 -0.100) 1.165 58.137 ( 1.274 -3.802 0.998) 4.133 58.254 ( 4.291 -10.718 -6.331) 13.167 60.172 ( 0.042 0.141 0.209) 0.256 60.181 ( -0.026 -0.221 -0.237) 0.325 ======================= Grid point 212 (65/124) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 3.446 -23.261 30.916) 38.842 2.856 ( 8.559 -21.880 32.960) 40.477 3.635 ( -0.645 -5.052 -10.972) 12.096 3.938 ( 6.894 -4.393 -15.871) 17.853 4.209 ( 2.282 -4.483 -19.390) 20.032 4.532 ( -11.739 -3.200 -29.180) 31.615 4.884 ( 22.671 -29.198 52.733) 64.399 5.292 ( 3.675 14.813 -0.114) 15.263 5.541 ( -0.308 12.485 -10.387) 16.243 5.867 ( 8.044 3.344 14.745) 17.127 6.189 ( -9.291 -4.552 16.386) 19.379 6.550 ( -13.370 -7.348 -5.888) 16.353 6.609 ( 4.683 -1.264 3.221) 5.823 6.905 ( 1.379 0.919 -9.325) 9.471 7.088 ( -1.979 -0.055 5.255) 5.615 7.097 ( -3.538 3.303 -11.814) 12.767 7.168 ( 4.518 -1.560 -18.253) 18.869 7.598 ( 6.420 -0.544 -7.419) 9.826 7.764 ( -13.273 2.782 6.803) 15.172 8.070 ( -2.146 -2.374 -7.658) 8.300 8.416 ( 9.433 -4.001 17.928) 20.649 8.726 ( -6.809 -10.955 -1.571) 12.994 9.197 ( 2.190 1.577 0.388) 2.727 9.252 ( 10.531 0.452 1.430) 10.637 9.398 ( 7.730 -9.948 -7.965) 14.905 9.653 ( -0.587 0.417 1.914) 2.045 9.770 ( 6.632 -3.441 0.155) 7.473 10.031 ( 2.605 -15.604 2.363) 15.995 10.195 ( 6.153 -1.014 28.747) 29.415 10.787 ( 1.104 -0.865 1.184) 1.835 11.186 ( 2.013 1.134 -14.209) 14.396 11.312 ( -10.471 13.452 7.235) 18.519 11.401 ( -1.656 4.851 -9.079) 10.426 11.714 ( -12.336 24.967 1.048) 27.868 12.187 ( -4.050 2.646 4.003) 6.279 12.202 ( -4.535 4.715 3.577) 7.456 12.373 ( -1.788 5.756 -2.192) 6.413 12.565 ( 0.189 -3.141 -9.890) 10.378 13.240 ( -2.532 5.555 4.293) 7.464 13.443 ( 1.115 -0.953 0.931) 1.737 13.596 ( -5.368 6.416 3.778) 9.179 13.879 ( -5.023 13.340 -14.764) 20.522 20.346 ( 2.612 1.737 1.824) 3.628 20.588 ( -4.293 -2.190 1.172) 4.960 20.719 ( -10.497 -1.672 2.801) 10.992 20.789 ( 1.748 6.997 -3.359) 7.956 21.054 ( 0.879 7.859 -0.963) 7.966 21.343 ( -0.456 -1.990 -8.740) 8.975 21.429 ( 8.422 -3.817 2.781) 9.655 21.559 ( 5.980 -5.819 -2.057) 8.594 21.782 ( -0.611 0.109 3.137) 3.198 22.147 ( -1.847 -3.039 -7.697) 8.479 22.247 ( -0.031 3.153 14.175) 14.521 22.831 ( -1.067 -1.435 -8.223) 8.415 24.485 ( 1.459 -5.386 5.366) 7.741 24.726 ( -2.112 -0.464 -3.737) 4.317 24.942 ( 0.454 -1.960 0.083) 2.014 25.057 ( -0.407 -3.888 -5.063) 6.397 25.430 ( 1.747 1.882 3.006) 3.954 25.612 ( 2.411 -2.728 -1.273) 3.857 25.625 ( 3.785 -2.556 3.201) 5.577 26.092 ( 8.952 -10.095 -18.151) 22.616 27.014 ( -1.176 0.080 8.398) 8.480 27.050 ( 0.093 0.077 8.406) 8.407 27.302 ( -0.541 0.699 -5.136) 5.211 27.365 ( -1.440 0.252 -5.869) 6.049 38.219 ( 0.637 -0.029 0.682) 0.934 38.244 ( 0.124 -1.128 -0.384) 1.198 38.309 ( 1.377 -1.851 0.156) 2.312 38.377 ( 1.307 -3.434 -3.930) 5.380 38.763 ( 0.418 -0.463 0.772) 0.993 38.800 ( 0.348 -0.634 -0.875) 1.135 51.854 ( -1.359 4.278 2.446) 5.112 52.012 ( -0.687 -1.800 -6.325) 6.612 53.056 ( -6.424 4.885 3.976) 8.997 53.281 ( -6.250 0.221 -5.131) 8.090 53.507 ( 2.468 -0.501 -3.929) 4.666 53.550 ( -0.986 -1.570 -3.490) 3.952 54.243 ( 0.252 5.831 6.967) 9.089 54.379 ( -0.922 9.386 1.316) 9.523 54.973 ( 1.151 0.976 8.998) 9.124 55.292 ( 0.886 -7.295 -5.845) 9.389 55.608 ( -6.688 13.951 29.095) 32.953 56.380 ( -4.201 9.274 -11.044) 15.021 58.041 ( 0.762 0.286 0.323) 0.875 58.054 ( 0.962 0.009 -0.299) 1.007 58.225 ( 1.629 -4.087 2.618) 5.120 58.417 ( 1.397 -4.682 -7.041) 8.571 60.170 ( 0.088 0.108 0.303) 0.333 60.184 ( -0.102 -0.165 -0.340) 0.392 ======================= Grid point 213 (66/124) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 0.365 -24.104 18.228) 30.222 3.198 ( 3.684 -6.203 8.195) 10.918 3.691 ( 1.735 -6.929 -5.312) 8.901 4.075 ( -0.740 -5.422 -13.728) 14.779 4.393 ( 4.970 -13.283 -6.261) 15.503 4.542 ( -6.346 -5.298 -24.138) 25.514 5.139 ( 6.626 6.517 0.300) 9.299 5.348 ( 2.397 7.485 -13.134) 15.306 5.596 ( 16.660 -24.137 32.435) 43.728 5.869 ( 4.162 2.894 4.834) 7.005 6.182 ( -1.225 -0.878 17.556) 17.621 6.486 ( -7.708 1.928 6.251) 10.109 6.589 ( -4.148 0.765 -4.933) 6.491 6.859 ( -2.522 4.672 -3.263) 6.232 6.954 ( -3.557 5.521 -5.505) 8.569 7.114 ( -3.240 3.979 -7.427) 9.027 7.144 ( 4.257 0.172 8.027) 9.088 7.584 ( -5.713 3.610 2.867) 7.341 7.693 ( 4.889 0.744 1.659) 5.216 8.202 ( 0.543 -11.635 -19.622) 22.819 8.549 ( 2.337 -5.315 21.620) 22.386 8.853 ( -5.235 -9.433 1.114) 10.846 9.067 ( -1.542 9.222 30.623) 32.019 9.220 ( 6.136 10.749 -4.642) 13.219 9.591 ( 0.137 -1.757 -3.897) 4.277 9.747 ( 5.495 -6.831 -15.318) 17.650 9.951 ( 9.418 -7.895 -2.674) 12.577 10.314 ( -1.590 -13.129 -2.635) 13.485 10.345 ( 9.144 -8.293 31.288) 33.635 10.748 ( -8.529 20.570 10.975) 24.826 10.818 ( 0.628 -1.253 2.480) 2.849 11.138 ( -7.777 12.505 -1.715) 14.826 11.401 ( 3.122 -5.375 -15.173) 16.397 11.512 ( 1.758 -1.660 -14.719) 14.916 12.065 ( -3.915 6.288 1.852) 7.636 12.098 ( -4.088 4.568 3.038) 6.841 12.240 ( -0.496 7.452 4.161) 8.549 12.637 ( -1.092 -4.904 -13.105) 14.035 13.033 ( -6.086 9.164 2.493) 11.280 13.475 ( 1.772 -1.205 0.194) 2.151 13.534 ( -2.063 2.639 -0.471) 3.383 13.587 ( -3.999 11.114 -15.220) 19.265 20.342 ( 1.990 1.410 1.120) 2.684 20.563 ( -7.396 -0.304 0.629) 7.429 20.603 ( -3.335 3.454 1.771) 5.117 20.709 ( -2.814 2.811 -9.114) 9.944 20.943 ( 1.107 5.875 3.402) 6.879 21.334 ( -2.295 0.397 -9.839) 10.111 21.547 ( 6.831 -0.485 3.336) 7.618 21.694 ( 4.098 -3.450 -3.254) 6.268 21.790 ( 0.074 -1.671 7.909) 8.084 22.161 ( -0.993 0.149 11.207) 11.252 22.220 ( -0.510 -0.753 0.074) 0.912 22.838 ( -1.231 -0.721 -8.299) 8.421 24.601 ( 1.834 -5.838 2.556) 6.631 24.736 ( -0.579 -1.976 -2.196) 3.010 24.994 ( 1.382 -2.944 -0.181) 3.257 25.130 ( 1.511 -3.693 -6.120) 7.305 25.391 ( -0.332 3.410 2.727) 4.379 25.569 ( -0.832 3.336 -4.462) 5.633 25.774 ( 4.739 -3.970 7.796) 9.950 26.261 ( 3.805 -3.134 -16.019) 16.760 27.005 ( -0.814 -0.122 8.489) 8.529 27.060 ( 0.265 -1.065 7.992) 8.067 27.285 ( -0.573 0.596 -4.530) 4.604 27.341 ( -1.622 0.664 -4.878) 5.183 38.233 ( 0.975 -0.562 0.879) 1.428 38.268 ( 0.575 -1.183 -0.639) 1.463 38.349 ( 0.740 -1.344 0.440) 1.596 38.424 ( -0.032 -1.346 -3.356) 3.616 38.777 ( 0.473 -0.532 0.779) 1.055 38.815 ( 0.364 -0.622 -0.919) 1.168 51.768 ( -1.052 3.929 3.627) 5.450 52.035 ( -0.502 -1.520 -10.512) 10.633 52.920 ( -5.387 3.760 5.121) 8.329 53.216 ( -4.879 0.671 -7.169) 8.697 53.534 ( 1.010 -0.677 -4.185) 4.358 53.560 ( -1.189 -0.856 -1.081) 1.821 54.140 ( 0.060 5.748 6.069) 8.359 54.248 ( 1.061 5.742 0.488) 5.860 54.989 ( 1.690 -1.059 13.176) 13.327 55.380 ( -3.633 7.762 25.857) 27.240 55.436 ( 1.421 -8.061 -8.027) 11.465 56.173 ( -3.922 9.709 -12.619) 16.398 58.049 ( 0.798 -0.296 0.423) 0.951 58.066 ( 1.000 -0.273 -0.381) 1.105 58.297 ( 0.980 -2.668 2.810) 3.997 58.462 ( -0.687 -0.794 -4.848) 4.960 60.169 ( 0.093 0.072 0.323) 0.343 60.185 ( -0.155 -0.045 -0.369) 0.403 ======================= Grid point 214 (67/124) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -2.887 4.665 -2.370) 5.976 3.492 ( 5.766 -15.091 0.537) 16.164 3.909 ( 0.225 -12.594 -16.194) 20.516 4.068 ( -6.001 1.989 -16.612) 17.774 4.511 ( -4.517 0.065 0.222) 4.523 4.746 ( 3.400 -18.760 8.745) 20.976 5.115 ( 1.915 3.503 1.640) 4.316 5.396 ( 13.302 -2.440 0.080) 13.524 5.849 ( 3.012 3.424 0.617) 4.602 5.977 ( 1.126 -11.173 -4.689) 12.169 6.178 ( 0.335 2.110 12.449) 12.631 6.326 ( -7.013 7.028 7.469) 12.425 6.552 ( 0.181 4.194 1.317) 4.400 6.728 ( -2.474 6.274 6.388) 9.289 6.868 ( -0.099 2.522 -6.341) 6.825 7.021 ( -2.199 -0.787 -5.401) 5.884 7.247 ( 8.927 -4.493 14.014) 17.212 7.474 ( -10.819 -0.674 10.599) 15.161 7.764 ( 14.191 0.523 -4.416) 14.872 8.279 ( -11.786 0.772 -13.745) 18.123 8.702 ( 4.328 -6.765 12.736) 15.056 8.881 ( -2.650 0.164 9.399) 9.766 8.931 ( -0.378 3.350 37.054) 37.207 9.154 ( 2.856 -0.514 -7.790) 8.313 9.559 ( -2.989 1.796 2.863) 4.512 9.817 ( 2.117 6.140 -9.598) 11.589 10.085 ( -2.686 -0.744 -5.213) 5.911 10.332 ( 3.426 2.231 10.233) 11.019 10.536 ( -3.441 0.448 -7.866) 8.598 10.675 ( 10.933 -14.918 17.561) 25.504 10.893 ( 1.549 -5.223 10.686) 11.995 10.959 ( -1.846 2.472 -11.540) 11.946 11.517 ( 1.297 -3.512 -8.735) 9.504 11.573 ( 1.595 -2.904 -11.084) 11.568 11.812 ( -5.646 16.379 7.870) 19.029 11.990 ( -2.295 3.384 -1.954) 4.532 12.160 ( -0.692 1.343 10.115) 10.227 12.675 ( -2.742 -1.571 -8.759) 9.312 12.917 ( -0.528 0.487 -11.478) 11.500 13.293 ( -3.661 10.696 -18.899) 22.022 13.512 ( 0.747 -0.949 0.717) 1.404 13.569 ( 0.443 -0.999 -1.297) 1.696 20.338 ( 0.945 0.715 0.186) 1.200 20.466 ( -4.491 2.179 2.509) 5.587 20.555 ( -2.823 0.293 -1.230) 3.093 20.644 ( -0.772 2.271 -13.249) 13.465 20.876 ( 0.572 2.903 6.624) 7.255 21.302 ( -1.485 0.742 -10.543) 10.673 21.588 ( 3.040 0.941 3.821) 4.973 21.760 ( 1.507 -1.477 -3.532) 4.114 21.829 ( 0.724 -1.471 10.092) 10.224 22.147 ( 0.261 0.591 21.605) 21.615 22.238 ( -0.914 -1.461 -6.967) 7.177 22.835 ( -0.813 -0.175 -7.944) 7.988 24.710 ( 1.552 -4.435 0.661) 4.745 24.769 ( -0.031 -1.598 -1.390) 2.118 25.067 ( 1.684 -3.498 -0.136) 3.885 25.210 ( 1.800 -3.390 -6.849) 7.851 25.313 ( -1.412 4.158 2.800) 5.208 25.488 ( -1.215 4.455 -4.282) 6.298 25.851 ( 2.233 -1.255 7.961) 8.363 26.312 ( 1.125 -0.675 -13.961) 14.022 27.001 ( -0.397 -0.133 8.637) 8.647 27.088 ( 0.599 -1.464 6.907) 7.085 27.268 ( -0.807 0.627 -2.812) 2.992 27.315 ( -0.918 0.664 -4.399) 4.543 38.255 ( 0.928 -0.723 0.870) 1.463 38.293 ( 0.644 -0.933 -0.822) 1.400 38.367 ( 0.020 -0.325 0.591) 0.675 38.431 ( -0.544 -0.187 -2.371) 2.439 38.789 ( 0.317 -0.364 0.760) 0.901 38.827 ( 0.236 -0.385 -0.932) 1.035 51.706 ( -0.505 2.248 4.690) 5.226 52.053 ( -0.231 -0.864 -13.027) 13.058 52.827 ( -3.028 2.039 5.777) 6.833 53.168 ( -2.546 0.476 -9.126) 9.486 53.550 ( 0.128 -0.542 -4.007) 4.045 53.558 ( -0.740 -0.196 0.885) 1.170 54.063 ( 0.190 3.203 5.715) 6.555 54.189 ( 1.023 2.581 -1.646) 3.228 55.040 ( 1.965 -2.619 16.955) 17.268 55.240 ( -2.574 5.287 22.056) 22.827 55.597 ( 1.999 -8.612 -9.826) 13.218 55.971 ( -3.295 9.451 -12.497) 16.011 58.064 ( 0.604 -0.505 0.466) 0.915 58.081 ( 0.786 -0.285 -0.309) 0.891 58.338 ( 0.487 -1.382 2.026) 2.501 58.450 ( -1.167 0.645 -3.000) 3.283 60.169 ( 0.058 0.033 0.294) 0.301 60.183 ( -0.121 0.025 -0.341) 0.363 ======================= Grid point 215 (68/124) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 0.000 -0.000 -3.426) 3.426 3.687 ( -0.000 0.000 -20.418) 20.418 3.971 ( 0.000 -0.000 -5.133) 5.133 4.036 ( 0.000 -0.000 -18.166) 18.166 4.484 ( 0.000 -0.000 5.920) 5.920 4.971 ( 0.000 -0.000 -13.321) 13.321 5.078 ( 0.000 -0.000 29.926) 29.926 5.529 ( 0.000 -0.000 12.710) 12.710 5.807 ( 0.000 -0.000 0.773) 0.773 6.081 ( 0.000 -0.000 -9.314) 9.314 6.144 ( -0.000 -0.000 10.298) 10.298 6.227 ( 0.000 0.000 -7.343) 7.343 6.473 ( 0.000 -0.000 -0.026) 0.026 6.648 ( 0.000 -0.000 11.645) 11.645 6.837 ( 0.000 -0.000 -9.572) 9.572 7.041 ( 0.000 -0.000 -5.895) 5.895 7.388 ( 0.000 -0.000 11.175) 11.175 7.406 ( -0.000 -0.000 17.676) 17.676 7.988 ( -0.000 0.000 -4.359) 4.359 8.018 ( 0.000 -0.000 -9.872) 9.872 8.742 ( 0.000 -0.000 22.252) 22.252 8.878 ( -0.000 -0.000 44.774) 44.774 8.974 ( 0.000 -0.000 -5.161) 5.161 9.177 ( 0.000 -0.000 -12.830) 12.830 9.589 ( 0.000 -0.000 -3.368) 3.368 9.636 ( -0.000 0.000 14.349) 14.349 10.074 ( 0.000 -0.000 -9.464) 9.464 10.369 ( -0.000 -0.000 12.413) 12.413 10.501 ( 0.000 -0.000 -20.852) 20.852 10.899 ( 0.000 -0.000 -16.053) 16.053 10.965 ( 0.000 -0.000 16.635) 16.635 10.978 ( -0.000 0.000 9.671) 9.671 11.512 ( 0.000 -0.000 12.094) 12.094 11.565 ( 0.000 0.000 -8.396) 8.396 11.648 ( 0.000 -0.000 -2.405) 2.405 11.944 ( 0.000 -0.000 -5.238) 5.238 12.150 ( 0.000 -0.000 11.172) 11.172 12.671 ( 0.000 -0.000 -6.553) 6.553 12.925 ( 0.000 -0.000 -17.219) 17.219 13.172 ( 0.000 -0.000 -20.738) 20.738 13.523 ( 0.000 -0.000 0.510) 0.510 13.582 ( 0.000 -0.000 -1.356) 1.356 20.336 ( 0.000 -0.000 -0.403) 0.403 20.424 ( 0.000 -0.000 2.673) 2.673 20.536 ( 0.000 -0.000 -2.086) 2.086 20.621 ( 0.000 -0.000 -13.982) 13.982 20.854 ( 0.000 -0.000 7.548) 7.548 21.288 ( 0.000 -0.000 -10.828) 10.828 21.592 ( 0.000 -0.000 4.269) 4.269 21.781 ( 0.000 -0.000 -3.644) 3.644 21.844 ( 0.000 -0.000 10.705) 10.705 22.145 ( 0.000 -0.000 23.377) 23.377 22.246 ( 0.000 -0.000 -7.795) 7.795 22.832 ( 0.000 -0.000 -7.728) 7.728 24.770 ( -0.000 0.000 -0.523) 0.523 24.773 ( 0.000 -0.000 -0.778) 0.778 25.122 ( 0.000 -0.000 -0.013) 0.013 25.239 ( 0.000 -0.000 -2.411) 2.411 25.275 ( 0.000 -0.000 -2.063) 2.063 25.428 ( 0.000 -0.000 -3.920) 3.920 25.871 ( 0.000 -0.000 7.972) 7.972 26.322 ( 0.000 -0.000 -13.351) 13.351 27.001 ( 0.000 -0.000 8.707) 8.707 27.108 ( 0.000 -0.000 6.116) 6.116 27.255 ( 0.000 -0.000 -1.317) 1.317 27.305 ( 0.000 -0.000 -4.684) 4.684 38.267 ( 0.000 -0.000 0.801) 0.801 38.306 ( 0.000 -0.000 -0.975) 0.975 38.367 ( 0.000 -0.000 0.791) 0.791 38.429 ( 0.000 -0.000 -2.003) 2.003 38.794 ( 0.000 -0.000 0.751) 0.751 38.832 ( 0.000 -0.000 -0.931) 0.931 51.684 ( 0.000 -0.000 5.120) 5.120 52.059 ( 0.000 -0.000 -13.831) 13.831 52.794 ( 0.000 -0.000 5.990) 5.990 53.151 ( 0.000 -0.000 -9.955) 9.955 53.555 ( -0.000 -0.000 -3.881) 3.881 53.556 ( 0.000 0.000 1.631) 1.631 54.036 ( 0.000 -0.000 5.579) 5.579 54.173 ( 0.000 -0.000 -2.507) 2.507 55.097 ( 0.000 -0.000 20.800) 20.800 55.158 ( 0.000 -0.000 18.223) 18.223 55.750 ( 0.000 -0.000 -10.946) 10.946 55.805 ( 0.000 0.000 -11.822) 11.822 58.072 ( 0.000 -0.000 0.472) 0.472 58.088 ( 0.000 -0.000 -0.226) 0.226 58.354 ( 0.000 -0.000 1.414) 1.414 58.434 ( 0.000 -0.000 -2.169) 2.169 60.169 ( 0.000 -0.000 0.272) 0.272 60.182 ( 0.000 -0.000 -0.318) 0.318 ======================= Grid point 222 (69/124) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 16.827 -0.000 38.818) 42.309 2.485 ( 14.283 -0.000 49.468) 51.488 3.476 ( 11.113 -0.000 -31.352) 33.264 3.657 ( -0.219 0.000 24.006) 24.007 4.150 ( 1.561 -0.000 -21.724) 21.780 4.324 ( 20.382 -0.000 38.059) 43.173 4.597 ( -19.452 0.000 -32.513) 37.888 5.681 ( 5.622 -0.000 4.270) 7.060 5.820 ( -0.507 0.000 5.858) 5.880 5.981 ( 15.757 -0.000 32.727) 36.323 6.179 ( 4.179 -0.000 -3.373) 5.370 6.204 ( -8.373 0.000 -3.592) 9.111 6.440 ( 9.744 -0.000 11.548) 15.109 6.871 ( -0.914 0.000 -42.858) 42.868 6.966 ( -5.028 0.000 -12.279) 13.269 7.133 ( -3.614 0.000 14.569) 15.010 7.208 ( 3.363 -0.000 -19.799) 20.083 7.408 ( -7.784 0.000 7.627) 10.898 8.008 ( -10.283 0.000 -5.413) 11.620 8.031 ( -7.434 0.000 -12.814) 14.814 8.432 ( 7.402 -0.000 4.675) 8.755 8.457 ( 3.696 -0.000 3.074) 4.807 8.934 ( 13.083 -0.000 -10.396) 16.711 9.130 ( 14.751 -0.000 -18.102) 23.351 9.575 ( -1.771 0.000 5.162) 5.457 9.608 ( 6.335 -0.000 5.644) 8.485 9.666 ( 4.489 -0.000 9.623) 10.619 9.732 ( 0.895 -0.000 10.932) 10.969 10.252 ( 6.211 -0.000 24.411) 25.189 10.776 ( 1.150 -0.000 9.740) 9.808 11.099 ( 4.316 -0.000 -20.948) 21.388 11.327 ( 2.872 -0.000 -15.008) 15.281 11.859 ( -20.062 0.000 20.510) 28.691 12.229 ( -5.055 0.000 4.282) 6.625 12.263 ( -2.961 0.000 5.283) 6.056 12.380 ( -6.178 0.000 -3.051) 6.891 12.440 ( -33.737 0.000 -4.817) 34.079 12.572 ( 3.065 -0.000 -5.110) 5.958 13.300 ( 0.049 -0.000 0.713) 0.714 13.398 ( 2.326 -0.000 0.181) 2.333 13.848 ( -16.216 0.000 5.761) 17.209 14.131 ( -6.201 0.000 -14.485) 15.757 20.368 ( -1.530 0.000 6.160) 6.347 20.476 ( 1.678 -0.000 14.303) 14.401 20.662 ( -6.259 0.000 -5.245) 8.166 21.132 ( 3.328 -0.000 9.536) 10.100 21.136 ( 14.262 -0.000 -18.457) 23.325 21.276 ( -0.438 0.000 -2.621) 2.657 21.313 ( 1.206 -0.000 -3.840) 4.025 21.383 ( 6.999 -0.000 -4.929) 8.561 21.792 ( -0.903 0.000 0.854) 1.243 22.075 ( -1.641 0.000 -9.452) 9.594 22.325 ( -0.760 0.000 10.872) 10.898 22.793 ( -0.701 0.000 -7.498) 7.531 24.374 ( 0.683 -0.000 12.399) 12.417 24.723 ( -5.884 0.000 -1.893) 6.181 24.901 ( -0.553 0.000 -0.261) 0.612 24.944 ( -0.626 0.000 -2.296) 2.379 25.434 ( 9.554 -0.000 3.889) 10.315 25.544 ( 1.653 -0.000 1.062) 1.965 25.643 ( -0.436 0.000 -4.415) 4.437 25.758 ( 26.640 -0.000 -15.141) 30.642 27.017 ( -1.870 0.000 8.486) 8.689 27.062 ( 0.203 -0.000 7.932) 7.934 27.316 ( -0.886 0.000 -5.449) 5.521 27.367 ( -1.560 0.000 -6.035) 6.233 38.213 ( -0.077 0.000 0.398) 0.405 38.238 ( 0.562 -0.000 -0.809) 0.985 38.253 ( 1.732 -0.000 0.469) 1.794 38.291 ( 4.579 -0.000 -2.130) 5.050 38.755 ( 0.451 -0.000 0.690) 0.825 38.788 ( 0.420 -0.000 -0.780) 0.886 51.941 ( -2.050 0.000 1.406) 2.486 51.967 ( -0.887 0.000 0.494) 1.015 53.159 ( -11.693 0.000 0.423) 11.701 53.272 ( -4.549 0.000 -2.170) 5.040 53.505 ( -1.582 0.000 -4.384) 4.661 53.505 ( 3.658 -0.000 -2.674) 4.531 54.364 ( 0.448 -0.000 8.546) 8.558 54.591 ( -3.704 0.000 -1.879) 4.153 55.076 ( 0.842 -0.000 0.367) 0.919 55.077 ( 0.693 -0.000 0.348) 0.775 56.053 ( -24.232 0.000 21.287) 32.254 56.569 ( -6.381 0.000 -7.598) 9.922 58.063 ( 1.397 -0.000 0.483) 1.478 58.086 ( 0.297 -0.000 -0.548) 0.623 58.105 ( 2.613 -0.000 1.127) 2.845 58.224 ( 11.515 -0.000 -6.270) 13.112 60.174 ( 0.049 -0.000 0.104) 0.115 60.179 ( -0.009 0.000 -0.133) 0.133 ======================= Grid point 223 (70/124) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 21.193 -6.668 31.769) 38.767 2.717 ( 18.483 -9.210 39.766) 44.808 3.598 ( 7.920 -1.966 -19.505) 21.143 3.865 ( 9.401 -13.256 -14.577) 21.831 4.179 ( 1.031 -1.629 -14.564) 14.691 4.374 ( -17.523 1.189 -30.213) 34.947 4.669 ( 19.912 -17.117 49.728) 56.235 5.584 ( 5.733 13.376 4.597) 15.262 5.727 ( -5.375 7.338 -0.502) 9.110 6.039 ( 3.056 8.878 -2.125) 9.626 6.169 ( 13.794 0.517 30.828) 33.778 6.252 ( -11.863 -7.706 -9.493) 17.036 6.613 ( 6.266 -4.789 6.582) 10.272 6.872 ( -5.919 -4.329 -20.002) 21.304 6.965 ( -3.989 -3.653 -8.879) 10.397 7.104 ( -3.668 -0.225 5.923) 6.971 7.203 ( -2.081 -0.519 -7.325) 7.632 7.442 ( 0.010 -6.634 -1.805) 6.876 7.870 ( 0.835 6.054 -13.213) 14.558 7.983 ( -7.901 -1.571 -14.080) 16.221 8.470 ( 6.304 0.613 11.486) 13.117 8.560 ( 2.764 -5.064 8.047) 9.902 9.166 ( 8.101 -11.234 -11.639) 18.092 9.294 ( 12.904 -1.555 -15.281) 20.061 9.479 ( 1.562 4.762 6.978) 8.591 9.656 ( 1.217 2.810 11.207) 11.618 9.769 ( 6.240 -4.259 8.078) 11.060 9.846 ( 4.720 -9.982 3.534) 11.594 10.305 ( 10.104 2.523 25.869) 27.887 10.792 ( 1.562 -0.214 4.930) 5.176 11.172 ( 4.287 -2.923 -19.438) 20.119 11.348 ( -2.733 1.746 -7.963) 8.598 11.521 ( -16.792 12.071 9.257) 22.658 11.882 ( -30.112 15.982 1.041) 34.107 12.175 ( -5.403 1.749 2.190) 6.087 12.217 ( -5.025 3.041 5.420) 7.993 12.358 ( -4.053 -2.432 -3.771) 6.046 12.581 ( 2.232 1.903 -8.043) 8.561 13.280 ( -2.365 2.291 3.364) 4.707 13.437 ( 2.286 -1.300 0.416) 2.662 13.624 ( -12.587 5.687 7.209) 15.581 13.992 ( -8.464 7.144 -15.697) 19.211 20.354 ( -4.726 -2.144 5.810) 7.790 20.517 ( 2.923 -0.103 9.887) 10.311 20.577 ( -11.944 -1.178 -1.434) 12.087 21.016 ( 6.645 11.361 -3.167) 13.537 21.182 ( -0.207 6.679 -1.683) 6.891 21.322 ( 1.105 -1.683 -8.911) 9.135 21.431 ( 9.672 -6.778 -4.080) 12.496 21.516 ( 6.652 -5.378 -3.489) 9.239 21.779 ( -0.971 0.402 1.650) 1.956 22.077 ( -2.194 -2.296 -8.373) 8.955 22.294 ( -0.718 2.357 10.854) 11.130 22.797 ( -0.812 -1.164 -8.073) 8.197 24.418 ( 1.255 -3.832 9.513) 10.333 24.687 ( -2.786 -0.977 -0.654) 3.024 24.916 ( 0.640 -1.536 -0.577) 1.762 24.988 ( 1.703 -3.567 -3.879) 5.538 25.495 ( 2.568 2.511 1.598) 3.931 25.607 ( 8.793 -2.788 3.946) 10.033 25.636 ( 0.600 -0.071 -2.440) 2.514 26.070 ( 17.163 -6.549 -18.924) 26.374 26.997 ( -2.084 -0.120 8.783) 9.027 27.058 ( 0.042 0.535 7.647) 7.666 27.303 ( -1.068 0.290 -5.389) 5.501 27.349 ( -2.085 0.022 -5.745) 6.112 38.223 ( 0.322 -0.810 0.414) 0.965 38.233 ( 0.850 0.387 0.104) 0.940 38.295 ( 1.465 -1.813 -0.017) 2.331 38.353 ( 3.771 -1.691 -3.890) 5.676 38.762 ( 0.617 -0.240 0.702) 0.965 38.796 ( 0.557 -0.362 -0.799) 1.039 51.897 ( -2.108 2.488 1.633) 3.647 51.972 ( -1.122 -1.574 -1.859) 2.682 53.019 ( -11.964 1.732 2.224) 12.291 53.224 ( -5.363 -0.140 -4.532) 7.023 53.493 ( -1.989 -0.870 -3.093) 3.779 53.539 ( 2.001 -0.364 -2.439) 3.175 54.335 ( 0.596 3.844 6.919) 7.937 54.498 ( -2.921 5.858 -0.417) 6.559 55.018 ( 1.192 2.875 4.428) 5.412 55.183 ( 1.076 -6.358 -3.138) 7.171 55.727 ( -14.711 10.280 28.506) 33.685 56.451 ( -7.026 5.152 -10.235) 13.441 58.065 ( 1.092 1.442 0.249) 1.826 58.071 ( 1.079 0.235 -0.057) 1.106 58.179 ( 2.728 -3.435 2.258) 4.934 58.366 ( 5.186 -3.872 -7.417) 9.844 60.173 ( 0.082 0.116 0.152) 0.208 60.180 ( -0.079 -0.151 -0.185) 0.252 ======================= Grid point 224 (71/124) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 17.391 -11.586 24.174) 31.954 3.141 ( 21.534 -13.455 16.387) 30.221 3.642 ( -2.988 0.859 -13.852) 14.197 4.039 ( 3.484 -0.601 -20.620) 20.921 4.299 ( 7.584 -5.913 -12.866) 16.063 4.367 ( 0.564 -11.492 -19.418) 22.571 5.211 ( 6.985 -23.221 31.834) 40.018 5.380 ( 3.378 14.676 2.746) 15.308 5.576 ( 4.774 5.148 3.326) 7.768 5.905 ( -2.052 4.328 -6.745) 8.273 6.253 ( -9.962 -5.293 1.277) 11.353 6.304 ( 11.642 -1.370 21.391) 24.393 6.606 ( -5.219 3.385 3.576) 7.175 6.896 ( -2.164 2.293 -9.002) 9.538 6.958 ( -8.207 -2.619 -6.717) 10.924 7.054 ( -1.936 -0.438 3.996) 4.462 7.214 ( -1.301 -1.253 2.768) 3.305 7.474 ( -8.782 1.236 7.786) 11.801 7.855 ( 11.300 3.080 -12.449) 17.092 8.010 ( -1.979 -8.830 -24.114) 25.756 8.496 ( -0.309 -1.452 16.385) 16.452 8.708 ( 4.077 -6.495 11.370) 13.715 9.226 ( 1.650 8.056 15.645) 17.674 9.486 ( 2.794 0.047 -8.481) 8.930 9.498 ( 8.374 -1.555 -11.511) 14.320 9.616 ( -3.077 -5.691 6.040) 8.851 9.948 ( 10.385 -5.727 2.652) 12.152 10.074 ( 1.343 -12.825 1.942) 13.041 10.395 ( 13.614 -0.097 26.997) 30.236 10.811 ( 1.137 -0.249 -1.538) 1.929 10.957 ( -19.883 17.219 15.069) 30.313 11.219 ( -5.515 5.374 -7.804) 10.964 11.384 ( -0.864 1.283 -13.694) 13.781 11.506 ( -3.006 1.097 -11.394) 11.835 12.083 ( -5.882 2.112 2.608) 6.772 12.124 ( -2.745 3.316 4.068) 5.923 12.341 ( -1.181 3.067 -2.411) 4.077 12.578 ( 0.856 -0.724 -11.964) 12.017 13.104 ( -11.342 8.473 7.359) 15.956 13.474 ( 1.775 -0.860 1.552) 2.510 13.520 ( -1.333 -0.698 1.450) 2.090 13.739 ( -8.812 11.407 -18.003) 23.062 20.344 ( -4.832 -2.170 2.907) 6.043 20.463 ( -12.817 -1.134 -0.837) 12.895 20.535 ( 0.849 1.139 7.875) 8.002 20.886 ( 5.945 10.637 -6.054) 13.607 21.069 ( 0.923 6.440 0.022) 6.506 21.332 ( -0.404 0.183 -8.352) 8.364 21.601 ( 7.194 -2.548 -1.386) 7.757 21.656 ( 3.317 -4.279 -2.306) 5.884 21.767 ( -0.603 -0.517 4.897) 4.961 22.107 ( -1.987 -3.418 -5.772) 6.996 22.241 ( -0.521 2.678 11.716) 12.030 22.811 ( -0.777 -1.159 -8.359) 8.474 24.518 ( 1.648 -5.770 5.667) 8.253 24.697 ( -0.313 -1.850 -0.704) 2.004 24.962 ( 1.641 -2.446 -0.363) 2.968 25.079 ( 2.468 -4.151 -5.153) 7.062 25.454 ( 0.571 3.756 1.173) 3.976 25.602 ( -1.098 1.766 -4.524) 4.979 25.772 ( 7.907 -3.339 7.765) 11.574 26.268 ( 7.545 -2.285 -16.878) 18.629 26.984 ( -1.795 -0.678 8.979) 9.182 27.053 ( 0.231 -0.069 7.481) 7.485 27.287 ( -0.951 0.398 -4.876) 4.983 27.327 ( -2.196 -0.007 -5.255) 5.695 38.237 ( 1.076 -0.206 0.715) 1.308 38.252 ( 0.730 -1.284 0.069) 1.479 38.337 ( 1.280 -1.364 -0.040) 1.871 38.404 ( 1.232 -1.137 -3.807) 4.160 38.774 ( 0.668 -0.387 0.724) 1.058 38.810 ( 0.575 -0.525 -0.844) 1.148 51.823 ( -1.552 3.651 2.438) 4.657 51.996 ( -0.874 -2.194 -6.290) 6.719 52.880 ( -10.393 1.088 4.170) 11.251 53.177 ( -4.212 -0.085 -7.279) 8.410 53.493 ( -2.619 -1.746 -2.118) 3.794 53.555 ( 0.682 -0.031 -1.804) 1.929 54.250 ( 0.472 6.179 5.753) 8.456 54.370 ( 0.236 6.664 -0.137) 6.669 55.002 ( 1.625 0.658 8.692) 8.867 55.315 ( 1.423 -7.491 -5.918) 9.652 55.468 ( -6.619 7.755 27.891) 29.696 56.274 ( -5.932 7.420 -12.342) 15.575 58.061 ( 1.316 0.512 0.556) 1.517 58.082 ( 1.757 0.012 -0.458) 1.816 58.257 ( 1.293 -2.983 2.882) 4.345 58.436 ( 0.285 -1.429 -5.563) 5.751 60.172 ( 0.066 0.109 0.196) 0.234 60.181 ( -0.192 -0.112 -0.236) 0.324 ======================= Grid point 225 (72/124) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 1.765 -1.306 12.090) 12.288 3.481 ( 17.540 -6.858 -1.420) 18.887 3.731 ( 9.958 -10.951 -15.104) 21.148 4.112 ( 7.996 0.058 -20.726) 22.215 4.495 ( 5.660 -3.370 -6.029) 8.930 4.542 ( 5.652 -8.281 7.467) 12.501 5.200 ( -1.075 6.291 2.820) 6.977 5.484 ( 8.478 -6.076 -11.018) 15.172 5.677 ( -3.740 -10.234 12.211) 16.366 5.887 ( -0.276 -2.003 -6.123) 6.448 6.213 ( -4.545 2.149 9.100) 10.396 6.417 ( -2.705 3.894 14.042) 14.821 6.491 ( -5.457 -2.228 9.975) 11.586 6.773 ( -5.014 5.715 0.422) 7.614 6.894 ( 0.758 1.842 -8.342) 8.576 7.049 ( -4.729 1.544 -3.611) 6.147 7.245 ( 5.792 -3.343 10.651) 12.576 7.344 ( -9.928 -0.727 11.931) 15.538 7.904 ( 6.887 0.896 -8.070) 10.647 8.152 ( -2.191 -3.991 -12.895) 13.675 8.587 ( 2.805 -9.194 9.192) 13.300 8.829 ( 1.989 -3.930 11.049) 11.895 9.070 ( 1.892 10.252 26.835) 28.789 9.343 ( 5.065 14.400 -2.026) 15.398 9.515 ( -7.252 -1.537 4.063) 8.453 9.800 ( -0.228 -10.017 -15.842) 18.745 10.050 ( -1.994 0.879 -3.264) 3.924 10.337 ( 5.927 -9.640 3.187) 11.757 10.524 ( -12.698 10.014 10.271) 19.158 10.605 ( 14.397 -7.907 22.806) 28.105 10.838 ( 1.620 -2.061 2.801) 3.837 11.026 ( -2.574 5.758 -8.965) 10.961 11.477 ( 4.149 -3.989 -12.036) 13.341 11.523 ( -0.696 -3.019 -12.671) 13.044 11.994 ( -6.180 3.078 2.867) 7.476 12.015 ( -1.334 8.371 3.794) 9.287 12.206 ( -2.932 7.096 6.731) 10.210 12.621 ( -0.088 -2.811 -10.966) 11.321 12.910 ( -5.240 1.857 -4.553) 7.186 13.434 ( -7.115 10.680 -15.406) 20.051 13.513 ( 1.850 -0.623 -1.102) 2.242 13.554 ( 0.181 -0.619 -2.696) 2.772 20.333 ( -4.050 -1.640 0.029) 4.370 20.368 ( -11.656 -2.584 0.335) 11.944 20.512 ( -0.222 1.561 4.262) 4.545 20.773 ( 5.146 8.634 -8.124) 12.924 20.985 ( 2.792 5.314 2.362) 6.451 21.319 ( 0.472 1.055 -9.031) 9.105 21.648 ( 2.861 2.445 -0.466) 3.792 21.725 ( -0.653 -2.910 -1.074) 3.169 21.803 ( 1.059 -2.489 8.029) 8.472 22.147 ( -0.478 -2.022 4.671) 5.113 22.204 ( -1.025 0.321 5.877) 5.975 22.821 ( -0.426 -0.694 -8.101) 8.142 24.638 ( 1.582 -5.845 3.081) 6.794 24.738 ( 0.867 -2.206 -0.647) 2.456 25.029 ( 2.100 -3.060 -0.116) 3.713 25.171 ( 2.553 -3.478 -5.763) 7.199 25.378 ( -1.002 4.765 1.115) 4.995 25.542 ( -1.877 3.478 -4.858) 6.263 25.867 ( 4.284 -0.653 7.836) 8.955 26.326 ( 2.503 0.412 -14.004) 14.232 26.983 ( -1.253 -0.957 8.994) 9.131 27.070 ( 0.644 -1.283 6.974) 7.120 27.270 ( -0.955 0.520 -3.367) 3.538 27.308 ( -1.587 -0.036 -4.859) 5.112 38.256 ( 1.310 -0.500 0.909) 1.671 38.284 ( 0.993 -1.258 -0.171) 1.612 38.363 ( 0.658 -0.444 -0.091) 0.799 38.419 ( -0.490 -0.381 -2.709) 2.779 38.787 ( 0.540 -0.333 0.735) 0.971 38.823 ( 0.461 -0.430 -0.881) 1.083 51.750 ( -0.743 3.310 3.668) 4.996 52.026 ( -0.425 -1.908 -10.230) 10.415 52.784 ( -7.714 -0.468 5.621) 9.556 53.148 ( -2.091 -0.318 -9.868) 10.092 53.500 ( -2.923 -2.148 -1.204) 3.823 53.557 ( -0.286 -0.029 -0.962) 1.004 54.150 ( 0.871 5.786 5.532) 8.052 54.279 ( 1.868 5.332 -1.752) 5.916 55.026 ( 1.910 -1.277 12.738) 12.943 55.306 ( -3.607 5.716 24.834) 25.738 55.469 ( 1.766 -8.394 -8.181) 11.854 56.086 ( -4.521 8.208 -12.843) 15.898 58.070 ( 1.559 0.137 0.789) 1.752 58.103 ( 2.510 0.272 -0.661) 2.609 58.306 ( -0.188 -2.238 2.365) 3.261 58.436 ( -1.905 -0.046 -3.536) 4.017 60.170 ( -0.004 0.077 0.211) 0.225 60.181 ( -0.255 -0.081 -0.251) 0.367 ======================= Grid point 226 (73/124) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( -0.737 2.572 5.905) 6.482 3.817 ( 15.186 -9.646 -0.764) 18.006 3.946 ( 14.804 5.458 -28.113) 32.238 4.191 ( 12.872 2.268 -15.114) 19.982 4.493 ( 3.059 0.826 8.214) 8.804 4.838 ( 7.798 -12.269 5.094) 15.405 5.128 ( -0.638 2.358 6.461) 6.907 5.619 ( 7.579 1.918 9.632) 12.406 5.743 ( -13.574 -1.892 -2.892) 14.007 5.997 ( 1.064 -11.957 -4.983) 12.998 6.082 ( -5.348 5.027 3.416) 8.096 6.255 ( -2.820 3.023 1.798) 4.508 6.407 ( -15.469 0.435 11.632) 19.359 6.638 ( -2.990 3.106 4.179) 6.004 6.860 ( -2.718 4.082 -10.344) 11.448 7.025 ( 0.991 -3.166 -7.100) 7.837 7.246 ( -10.378 -2.201 10.017) 14.591 7.471 ( 7.772 -5.682 11.492) 14.992 8.007 ( -1.617 0.220 -5.043) 5.301 8.055 ( 5.078 3.576 0.085) 6.211 8.726 ( -1.344 -1.520 19.782) 19.886 8.952 ( 4.475 -2.090 5.607) 7.472 8.967 ( 6.944 1.504 25.522) 26.493 9.192 ( 1.145 4.828 -4.350) 6.599 9.487 ( -2.924 -4.267 5.702) 7.699 9.790 ( -4.822 12.497 0.611) 13.409 9.990 ( -5.473 -6.240 -9.037) 12.270 10.345 ( -5.046 0.377 10.033) 11.236 10.486 ( 0.624 -2.510 -10.826) 11.130 10.852 ( 0.665 -2.722 -5.451) 6.129 10.949 ( 2.659 -6.029 12.015) 13.704 11.003 ( 12.102 -2.052 -0.221) 12.277 11.525 ( -0.599 -0.958 -6.592) 6.688 11.603 ( 1.561 -2.336 -7.356) 7.874 11.688 ( -7.041 14.692 10.178) 19.210 11.944 ( -1.870 1.355 -1.779) 2.915 12.140 ( -1.228 -0.198 10.731) 10.803 12.663 ( 1.544 -1.606 -6.513) 6.884 12.904 ( -0.726 -1.980 -16.822) 16.954 13.215 ( -3.922 6.439 -20.749) 22.076 13.533 ( 1.252 0.185 -0.029) 1.266 13.575 ( 0.179 -0.734 -0.991) 1.246 20.318 ( -5.401 -3.053 -1.686) 6.429 20.338 ( -5.111 -2.932 0.867) 5.955 20.492 ( -1.243 -0.646 0.978) 1.708 20.692 ( 4.023 6.000 -9.184) 11.685 20.941 ( 4.730 4.190 4.361) 7.678 21.314 ( 2.365 1.046 -9.625) 9.967 21.611 ( -0.652 2.451 1.936) 3.191 21.752 ( -1.974 -1.745 -1.680) 3.125 21.840 ( 0.244 -0.861 8.952) 8.997 22.151 ( -0.006 0.699 21.662) 21.673 22.221 ( -0.663 -2.422 -7.454) 7.866 22.829 ( 0.182 -0.449 -7.805) 7.820 24.739 ( 1.083 -3.881 1.028) 4.159 24.775 ( 0.798 -0.695 -0.600) 1.216 25.104 ( 2.045 -2.875 0.189) 3.533 25.248 ( 1.979 -2.517 -6.200) 6.978 25.279 ( -1.910 4.330 1.432) 4.944 25.453 ( -2.294 3.716 -4.878) 6.548 25.889 ( 1.467 1.119 7.816) 8.031 26.329 ( 0.615 0.623 -12.992) 13.022 26.990 ( -0.722 -0.840 8.896) 8.964 27.099 ( 0.402 -1.102 6.181) 6.291 27.255 ( -0.358 0.139 -1.553) 1.600 27.299 ( -0.748 -0.274 -4.799) 4.864 38.272 ( 0.751 0.076 0.903) 1.176 38.310 ( 1.045 -0.394 -0.635) 1.285 38.366 ( -0.109 0.170 0.285) 0.349 38.420 ( -0.549 -0.646 -1.986) 2.159 38.795 ( 0.255 -0.049 0.747) 0.791 38.832 ( 0.242 -0.118 -0.909) 0.948 51.700 ( -0.081 1.840 4.724) 5.071 52.050 ( -0.051 -1.093 -12.815) 12.861 52.747 ( -4.561 -2.382 6.449) 8.250 53.149 ( 0.334 -0.754 -11.444) 11.473 53.509 ( -2.832 -2.184 -0.895) 3.686 53.555 ( -0.652 -0.455 -0.181) 0.815 54.076 ( 1.101 3.731 5.480) 6.720 54.219 ( 1.753 3.771 -2.879) 5.058 55.079 ( 1.898 -2.447 16.866) 17.148 55.189 ( -2.378 4.264 21.502) 22.050 55.639 ( 2.059 -9.041 -10.054) 13.677 55.904 ( -3.257 8.340 -12.272) 15.191 58.081 ( 1.257 0.509 0.917) 1.637 58.116 ( 2.477 1.246 -0.631) 2.844 58.335 ( -0.888 -1.631 1.449) 2.355 58.417 ( -2.026 -0.597 -2.229) 3.071 60.169 ( -0.073 0.028 0.226) 0.239 60.180 ( -0.216 -0.132 -0.262) 0.364 ======================= Grid point 227 (74/124) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 5.736 -2.609 6.818) 9.284 3.856 ( 12.691 18.010 -7.221) 23.186 4.039 ( 9.478 0.585 -2.059) 9.717 4.237 ( 10.942 6.877 -15.877) 20.472 4.572 ( 9.023 -1.474 -1.224) 9.224 5.021 ( -4.589 9.528 18.829) 21.595 5.057 ( 9.783 -1.611 -14.271) 17.378 5.362 ( -17.569 11.907 4.572) 21.711 5.745 ( -2.810 -2.171 10.024) 10.634 5.991 ( -6.318 -6.659 7.893) 12.106 6.079 ( -9.645 3.999 2.085) 10.647 6.344 ( 5.654 -9.017 -6.788) 12.624 6.374 ( -4.653 -11.255 -1.720) 12.300 6.632 ( 1.991 -2.594 11.789) 12.234 6.787 ( -5.502 -1.843 -10.834) 12.290 7.086 ( 3.315 -0.266 -8.562) 9.185 7.183 ( -9.325 -1.411 10.463) 14.086 7.524 ( -7.265 -1.241 -4.183) 8.474 7.750 ( 0.683 12.009 11.600) 16.711 8.316 ( 11.439 -8.317 -7.757) 16.130 8.714 ( -2.222 0.255 20.734) 20.854 8.911 ( 2.696 2.812 29.555) 29.810 8.972 ( 0.519 5.460 13.610) 14.674 9.248 ( 6.593 2.505 -14.488) 16.114 9.552 ( -4.028 3.440 11.071) 12.273 9.640 ( 1.316 -11.519 -3.550) 12.126 10.051 ( -2.284 -4.950 -5.340) 7.631 10.278 ( -7.249 1.004 5.276) 9.021 10.527 ( 0.562 -2.190 -0.092) 2.263 10.794 ( -3.816 5.857 -16.386) 17.815 10.975 ( 0.039 3.993 12.950) 13.551 11.045 ( 1.895 10.263 0.970) 10.482 11.542 ( -0.889 0.177 -6.406) 6.470 11.575 ( 4.389 -6.871 3.751) 8.975 11.644 ( 0.132 -2.338 -1.120) 2.595 11.939 ( -0.478 -2.752 -4.376) 5.192 12.146 ( -0.358 -0.896 12.319) 12.357 12.715 ( 3.890 -1.226 -6.302) 7.507 12.911 ( -1.273 0.341 -17.149) 17.200 13.173 ( -0.076 -4.462 -20.283) 20.768 13.531 ( 0.670 1.175 0.517) 1.448 13.576 ( -0.522 0.390 -1.033) 1.222 20.326 ( -0.911 -0.268 -1.293) 1.604 20.369 ( -4.037 -6.741 0.818) 7.900 20.527 ( -1.070 -5.044 -1.811) 5.465 20.647 ( 2.535 3.040 -9.731) 10.505 20.933 ( 6.291 3.187 5.915) 9.205 21.334 ( 4.524 0.568 -9.750) 10.764 21.560 ( -3.020 1.331 3.544) 4.843 21.742 ( -3.888 -0.303 -3.863) 5.489 21.842 ( -0.224 0.547 10.351) 10.368 22.139 ( -0.458 0.165 23.718) 23.723 22.250 ( 0.307 -0.879 -7.583) 7.640 22.841 ( 0.794 -0.406 -7.919) 7.969 24.761 ( -0.487 2.393 -0.075) 2.443 24.785 ( 0.683 -0.163 -0.869) 1.117 25.118 ( -0.325 3.460 -0.316) 3.489 25.240 ( 0.105 -0.438 -3.135) 3.167 25.269 ( -0.498 0.055 -1.377) 1.465 25.424 ( -0.299 -2.970 -3.978) 4.973 25.866 ( -0.423 2.001 8.051) 8.306 26.320 ( -0.153 0.849 -13.480) 13.507 26.997 ( -0.320 -0.610 8.659) 8.687 27.103 ( -0.322 0.675 6.508) 6.551 27.264 ( 0.711 -0.732 -2.320) 2.535 27.304 ( -0.018 -0.991 -4.050) 4.170 38.263 ( -0.327 1.035 0.924) 1.426 38.308 ( 0.178 1.174 -1.112) 1.627 38.368 ( 0.114 -0.319 0.808) 0.876 38.431 ( 0.187 -0.693 -2.037) 2.160 38.793 ( -0.055 0.336 0.769) 0.841 38.832 ( 0.004 0.279 -0.940) 0.981 51.687 ( 0.321 -0.300 5.059) 5.078 52.061 ( 0.148 -0.129 -13.921) 13.922 52.775 ( -1.555 -4.338 6.750) 8.173 53.182 ( 2.828 -1.298 -11.372) 11.790 53.515 ( -3.024 -1.691 -1.797) 3.903 53.563 ( -0.071 -0.876 0.364) 0.952 54.046 ( 0.849 0.853 5.605) 5.732 54.183 ( 0.836 1.790 -2.543) 3.220 55.077 ( -1.384 3.501 20.403) 20.748 55.179 ( 1.442 -4.019 18.684) 19.166 55.722 ( -1.774 7.721 -10.959) 13.522 55.833 ( 1.813 -9.102 -11.761) 14.982 58.074 ( 0.305 1.128 0.871) 1.457 58.107 ( 1.590 2.001 -0.596) 2.624 58.339 ( -1.353 -0.253 1.628) 2.132 58.431 ( -0.325 -2.083 -2.454) 3.235 60.168 ( -0.119 -0.010 0.287) 0.311 60.181 ( -0.084 -0.212 -0.321) 0.394 ======================= Grid point 228 (75/124) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 11.329 -4.711 9.342) 15.421 3.603 ( 11.633 26.181 11.606) 30.911 3.894 ( -1.113 18.312 2.222) 18.479 4.223 ( 5.656 6.615 -7.294) 11.356 4.629 ( -8.618 19.313 0.120) 21.149 4.675 ( 7.930 2.494 -14.418) 16.643 5.055 ( -7.682 4.694 -7.074) 11.450 5.219 ( 3.457 -5.578 -14.306) 15.740 5.614 ( -22.786 3.955 18.895) 29.864 5.901 ( -2.033 8.208 14.669) 16.932 6.140 ( 1.339 -10.651 9.999) 14.670 6.515 ( 8.102 -2.125 -2.356) 8.701 6.553 ( 2.323 -8.624 -8.791) 12.532 6.755 ( 0.898 -9.177 9.781) 13.442 6.833 ( -3.192 -8.042 -8.943) 12.444 7.102 ( -2.276 1.781 5.615) 6.316 7.119 ( 1.591 -1.122 -4.089) 4.529 7.444 ( -11.890 -2.602 -6.898) 13.990 7.722 ( 7.507 -1.877 11.197) 13.610 8.383 ( -0.419 8.727 -16.042) 18.267 8.629 ( -2.020 6.077 25.610) 26.398 8.962 ( 2.243 -2.574 41.953) 42.092 8.996 ( 4.052 -8.913 -2.814) 10.187 9.137 ( 3.857 10.579 -8.912) 14.360 9.567 ( -1.947 -2.576 6.571) 7.322 9.748 ( -3.082 0.225 -18.621) 18.876 10.019 ( -8.130 7.424 -10.178) 14.993 10.351 ( 4.581 -15.959 17.726) 24.288 10.468 ( -4.947 10.133 31.049) 33.034 10.632 ( 0.906 7.380 -20.206) 21.531 10.869 ( -0.807 5.688 9.666) 11.244 10.992 ( 1.313 -6.643 -6.220) 9.195 11.491 ( -0.831 5.854 -11.842) 13.236 11.533 ( -2.296 3.555 -13.391) 14.043 11.923 ( 5.227 -15.229 3.776) 16.538 12.021 ( 0.784 -5.928 -1.402) 6.142 12.164 ( -0.366 -1.907 11.133) 11.301 12.742 ( 2.992 4.267 -12.892) 13.905 12.929 ( 0.793 -6.131 -4.645) 7.733 13.348 ( 1.715 -13.198 -17.265) 21.799 13.504 ( -0.060 1.836 1.674) 2.485 13.562 ( -0.156 0.528 -1.382) 1.487 20.314 ( -1.080 0.197 -0.074) 1.101 20.473 ( -1.819 -7.853 -0.947) 8.116 20.619 ( 3.318 -1.019 -3.647) 5.035 20.665 ( -0.126 -6.955 -7.942) 10.558 20.950 ( 6.592 2.548 7.281) 10.147 21.379 ( 5.974 0.579 -8.935) 10.764 21.499 ( -5.095 1.220 3.985) 6.582 21.685 ( -5.933 1.326 -4.996) 7.869 21.818 ( -0.352 1.667 9.934) 10.079 22.144 ( -0.028 -1.213 23.424) 23.455 22.252 ( 0.464 1.122 -7.818) 7.911 22.856 ( 1.047 -0.103 -8.344) 8.410 24.684 ( -0.990 5.256 1.025) 5.446 24.773 ( 0.327 1.676 -2.160) 2.753 25.040 ( -0.944 3.877 -0.536) 4.026 25.179 ( -1.246 3.811 -7.200) 8.241 25.334 ( 0.690 -4.155 3.336) 5.373 25.503 ( 0.293 -4.840 -3.842) 6.187 25.809 ( -1.753 3.620 8.099) 9.043 26.288 ( -1.062 2.472 -14.976) 15.215 27.005 ( -0.020 -0.487 8.320) 8.334 27.081 ( -0.139 1.376 7.794) 7.916 27.280 ( 0.326 -0.502 -4.410) 4.451 27.334 ( 0.875 -1.608 -3.763) 4.185 38.238 ( -0.651 1.081 1.005) 1.613 38.284 ( -0.246 1.353 -1.073) 1.744 38.366 ( -0.042 0.856 0.786) 1.163 38.440 ( 0.322 0.190 -2.746) 2.771 38.783 ( -0.228 0.608 0.803) 1.033 38.823 ( -0.141 0.597 -0.963) 1.142 51.718 ( 0.554 -2.650 4.537) 5.283 52.058 ( 0.235 0.679 -13.343) 13.363 52.861 ( 0.687 -5.989 6.641) 8.969 53.248 ( 5.035 -1.681 -10.066) 11.380 53.504 ( -3.589 -0.891 -2.412) 4.415 53.579 ( 0.670 -0.421 -0.883) 1.185 54.067 ( 0.468 -2.641 5.958) 6.534 54.179 ( -0.121 -1.220 -0.499) 1.323 55.006 ( -1.270 2.714 17.228) 17.487 55.285 ( 1.742 -6.243 22.467) 23.383 55.564 ( -1.227 8.279 -9.650) 12.774 56.027 ( 2.088 -10.473 -12.555) 16.482 58.053 ( -0.336 1.052 0.734) 1.326 58.083 ( 0.617 1.849 -0.616) 2.045 58.321 ( -1.045 1.081 2.605) 3.007 58.464 ( 0.381 -1.286 -3.932) 4.154 60.167 ( -0.114 -0.051 0.377) 0.397 60.185 ( 0.028 -0.170 -0.410) 0.445 ======================= Grid point 229 (76/124) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( 6.062 32.497 25.739) 41.896 3.264 ( 5.001 25.701 19.858) 32.862 3.647 ( -1.918 -4.418 5.225) 7.106 4.042 ( -1.565 15.183 -7.657) 17.077 4.302 ( -3.311 9.465 -17.853) 20.476 4.683 ( 3.900 4.429 -36.344) 36.820 5.025 ( -3.349 -9.696 1.579) 10.379 5.149 ( -18.816 23.206 45.313) 54.275 5.395 ( 4.701 -8.215 -15.940) 18.538 5.795 ( -2.010 1.950 16.781) 17.014 6.323 ( 6.920 -4.304 10.417) 13.226 6.573 ( 0.211 0.443 1.632) 1.704 6.717 ( 8.994 -3.289 -6.773) 11.730 6.869 ( -1.149 -1.410 -4.008) 4.402 6.954 ( -4.395 -8.853 -12.877) 16.233 7.074 ( -0.849 -1.557 5.628) 5.901 7.189 ( 3.248 -1.530 -8.222) 8.971 7.415 ( -8.367 -6.812 -7.714) 13.263 7.871 ( 7.888 -4.189 8.073) 12.039 8.163 ( -1.553 9.659 -12.285) 15.705 8.464 ( -4.419 10.027 28.764) 30.780 8.983 ( 4.602 8.802 -3.427) 10.507 9.080 ( -1.656 -6.642 30.884) 31.634 9.182 ( 3.646 -3.740 -11.449) 12.584 9.546 ( -2.906 8.510 -10.350) 13.711 9.613 ( -5.997 1.859 -4.663) 7.821 9.797 ( -4.496 6.892 -5.439) 9.864 10.236 ( -1.820 9.938 27.295) 29.104 10.337 ( -0.217 18.236 -4.243) 18.725 10.802 ( -0.382 1.742 -1.012) 2.051 10.870 ( 3.201 -28.109 16.727) 32.865 11.273 ( 3.990 -13.270 -0.013) 13.856 11.377 ( 1.288 -0.427 -14.312) 14.377 11.460 ( -3.157 0.829 -14.537) 14.899 12.133 ( 1.765 -6.195 0.288) 6.448 12.168 ( 3.209 -4.818 5.909) 8.272 12.231 ( -1.201 -9.213 1.055) 9.351 12.657 ( 0.671 6.111 -12.129) 13.598 13.119 ( 2.212 -11.099 3.337) 11.799 13.449 ( -0.707 1.026 0.770) 1.464 13.559 ( 0.744 -1.200 0.648) 1.553 13.654 ( 1.928 -15.720 -14.434) 21.429 20.305 ( -1.179 -0.552 0.524) 1.403 20.567 ( -1.782 -4.346 -8.392) 9.617 20.684 ( 3.165 -4.426 1.753) 5.717 20.831 ( 3.773 -8.097 -4.456) 9.983 20.959 ( 2.620 2.267 7.720) 8.462 21.394 ( -2.725 2.934 2.605) 4.777 21.435 ( 3.479 2.260 -5.804) 7.134 21.576 ( -7.287 3.528 -4.329) 9.181 21.791 ( 0.045 0.928 6.523) 6.589 22.181 ( 0.739 -2.442 19.231) 19.400 22.223 ( -0.117 2.210 -7.233) 7.564 22.860 ( 0.705 0.711 -8.567) 8.626 24.574 ( -0.758 6.102 2.861) 6.782 24.751 ( 0.584 1.069 -3.772) 3.964 24.976 ( -0.432 2.666 -0.238) 2.711 25.111 ( -0.452 2.845 -6.796) 7.381 25.393 ( -0.018 -2.073 3.900) 4.417 25.577 ( 0.094 -3.398 -3.933) 5.199 25.700 ( -2.105 6.724 7.367) 10.194 26.195 ( -2.107 7.108 -17.270) 18.794 27.015 ( 0.203 -0.568 8.021) 8.044 27.059 ( 0.060 1.022 8.732) 8.792 27.293 ( 0.175 -0.726 -4.988) 5.043 27.365 ( 0.681 -0.963 -5.151) 5.285 38.219 ( -0.385 0.525 0.938) 1.142 38.261 ( -0.150 1.113 -0.949) 1.470 38.337 ( -0.332 2.135 0.713) 2.275 38.422 ( -0.091 2.192 -3.745) 4.341 38.770 ( -0.188 0.639 0.828) 1.063 38.810 ( -0.136 0.740 -0.947) 1.210 51.786 ( 0.533 -4.395 3.462) 5.620 52.043 ( 0.235 1.253 -10.803) 10.878 52.987 ( 1.523 -6.994 6.053) 9.374 53.332 ( 5.905 -1.414 -8.662) 10.578 53.474 ( -4.175 -0.144 -2.320) 4.778 53.583 ( 0.652 0.861 -3.360) 3.530 54.143 ( 0.156 -5.398 6.450) 8.412 54.237 ( -0.181 -6.198 2.320) 6.620 54.964 ( -0.700 0.991 13.538) 13.592 55.416 ( -0.542 7.868 -7.947) 11.197 55.437 ( 1.668 -9.916 26.617) 28.453 56.230 ( 1.583 -10.871 -12.266) 16.467 58.036 ( -0.355 0.439 0.555) 0.792 58.060 ( 0.052 1.155 -0.522) 1.269 58.277 ( -0.711 3.018 3.076) 4.367 58.468 ( 0.044 1.558 -5.938) 6.139 60.168 ( -0.065 -0.086 0.418) 0.431 60.187 ( 0.047 0.003 -0.448) 0.450 ======================= Grid point 230 (77/124) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -0.000 29.316 33.663) 44.639 2.751 ( -0.000 26.765 34.663) 43.794 3.665 ( -0.000 13.104 -13.051) 18.494 3.892 ( 0.000 -5.991 -8.848) 10.685 4.184 ( -0.000 3.782 -25.803) 26.079 4.540 ( -0.000 32.747 64.192) 72.062 4.679 ( 0.000 -2.052 -25.317) 25.400 5.250 ( 0.000 -15.439 -1.291) 15.493 5.567 ( 0.000 -9.100 -14.463) 17.088 5.771 ( 0.000 -0.189 22.455) 22.456 6.401 ( -0.000 1.697 15.339) 15.432 6.464 ( -0.000 9.236 5.650) 10.827 6.737 ( -0.000 11.739 -10.313) 15.626 6.873 ( 0.000 -6.067 0.597) 6.096 7.020 ( 0.000 -0.464 -35.564) 35.567 7.115 ( 0.000 -2.088 2.587) 3.325 7.182 ( -0.000 2.736 -15.123) 15.369 7.523 ( 0.000 -8.581 -7.406) 11.335 7.966 ( 0.000 -3.117 4.656) 5.603 8.132 ( 0.000 -3.377 -4.819) 5.885 8.218 ( -0.000 12.162 25.210) 27.990 8.852 ( -0.000 8.502 -4.258) 9.509 9.116 ( -0.000 11.663 -5.006) 12.692 9.159 ( -0.000 6.774 -14.637) 16.128 9.305 ( -0.000 0.619 13.208) 13.223 9.654 ( 0.000 -3.293 0.002) 3.293 9.701 ( -0.000 2.247 -1.303) 2.598 10.008 ( -0.000 17.470 1.660) 17.548 10.131 ( -0.000 1.192 28.470) 28.495 10.775 ( -0.000 0.936 2.525) 2.693 11.155 ( -0.000 3.052 -17.695) 17.956 11.368 ( -0.000 3.742 -16.416) 16.837 11.481 ( 0.000 -26.972 17.676) 32.248 11.845 ( 0.000 -31.269 3.896) 31.510 12.229 ( 0.000 -2.277 6.823) 7.193 12.253 ( 0.000 -6.932 1.594) 7.113 12.402 ( 0.000 -9.564 -4.492) 10.566 12.566 ( -0.000 4.618 -7.881) 9.134 13.256 ( 0.000 -3.020 3.162) 4.373 13.432 ( -0.000 1.187 0.515) 1.294 13.661 ( 0.000 -10.958 4.164) 11.723 13.930 ( 0.000 -13.961 -13.698) 19.559 20.314 ( 0.000 -1.297 1.087) 1.692 20.607 ( 0.000 -1.829 -11.153) 11.302 20.808 ( 0.000 -7.224 5.390) 9.014 20.852 ( -0.000 9.649 9.998) 13.895 21.029 ( 0.000 -9.586 -5.000) 10.812 21.298 ( -0.000 4.931 6.464) 8.130 21.398 ( -0.000 6.345 -9.531) 11.450 21.465 ( -0.000 3.047 -2.445) 3.907 21.788 ( 0.000 -0.343 2.656) 2.678 22.169 ( -0.000 3.275 -10.821) 11.306 22.246 ( 0.000 -3.801 17.571) 17.977 22.844 ( -0.000 1.548 -8.212) 8.356 24.469 ( -0.000 5.303 5.559) 7.683 24.753 ( 0.000 -0.813 -5.836) 5.892 24.939 ( -0.000 1.493 0.380) 1.540 25.074 ( -0.000 1.489 -6.419) 6.589 25.405 ( -0.000 0.424 4.640) 4.659 25.545 ( -0.000 9.284 5.914) 11.008 25.622 ( 0.000 -1.711 -4.562) 4.872 25.987 ( -0.000 15.328 -17.541) 23.295 27.027 ( 0.000 -0.622 7.848) 7.872 27.049 ( -0.000 0.131 9.067) 9.068 27.308 ( 0.000 -0.834 -5.203) 5.269 27.380 ( 0.000 -0.327 -6.116) 6.125 38.213 ( 0.000 -0.017 0.693) 0.693 38.244 ( -0.000 0.792 -0.708) 1.062 38.293 ( -0.000 2.526 0.390) 2.555 38.362 ( -0.000 4.489 -3.782) 5.870 38.759 ( -0.000 0.486 0.796) 0.932 38.797 ( -0.000 0.676 -0.887) 1.115 51.869 ( 0.000 -4.559 2.344) 5.126 52.020 ( -0.000 1.618 -6.427) 6.627 53.119 ( 0.000 -6.931 4.707) 8.378 53.390 ( 0.000 -0.097 -7.991) 7.991 53.439 ( -0.000 0.330 -1.028) 1.079 53.563 ( -0.000 1.744 -5.340) 5.618 54.241 ( 0.000 -5.595 7.721) 9.535 54.392 ( 0.000 -10.814 1.676) 10.943 54.961 ( 0.000 -1.100 9.167) 9.233 55.282 ( -0.000 7.221 -5.824) 9.277 55.685 ( 0.000 -18.545 29.138) 34.539 56.424 ( 0.000 -10.209 -10.280) 14.489 58.031 ( 0.000 -0.074 0.325) 0.334 58.046 ( -0.000 0.516 -0.317) 0.606 58.206 ( -0.000 4.526 2.439) 5.141 58.399 ( -0.000 6.698 -7.634) 10.155 60.169 ( 0.000 -0.119 0.355) 0.374 60.185 ( -0.000 0.181 -0.382) 0.423 ======================= Grid point 233 (78/124) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 31.816 -0.000 22.148) 38.766 2.867 ( 22.849 -0.000 37.750) 44.126 3.709 ( 8.395 -0.000 -21.948) 23.498 3.794 ( 12.287 -0.000 -6.490) 13.896 4.169 ( -0.167 0.000 -4.130) 4.133 4.221 ( -12.041 0.000 -30.615) 32.897 4.727 ( 20.268 -0.000 41.705) 46.369 5.712 ( -5.649 0.000 -0.751) 5.699 5.793 ( 3.936 -0.000 4.959) 6.331 5.960 ( -14.977 0.000 -3.317) 15.340 6.248 ( -0.147 0.000 -4.616) 4.619 6.370 ( 20.634 -0.000 30.065) 36.464 6.623 ( 6.270 -0.000 4.445) 7.686 6.692 ( -17.069 0.000 -11.595) 20.635 6.899 ( -1.734 0.000 -12.123) 12.246 7.039 ( -5.563 0.000 9.622) 11.114 7.147 ( -5.104 0.000 -1.259) 5.257 7.459 ( 8.888 -0.000 -15.197) 17.605 7.886 ( -0.097 0.000 -12.381) 12.381 7.950 ( -0.572 0.000 -21.869) 21.876 8.526 ( 2.094 -0.000 8.523) 8.777 8.577 ( 7.307 -0.000 13.033) 14.941 9.116 ( 3.574 -0.000 -13.191) 13.667 9.378 ( 4.318 -0.000 -3.602) 5.623 9.517 ( -1.106 0.000 -0.384) 1.171 9.754 ( 6.677 -0.000 -4.396) 7.995 9.787 ( 7.994 -0.000 18.212) 19.890 9.800 ( 6.792 -0.000 12.381) 14.122 10.440 ( 11.822 -0.000 22.743) 25.632 10.812 ( 2.808 -0.000 5.883) 6.518 11.171 ( -4.104 0.000 -7.999) 8.990 11.307 ( -10.117 0.000 -5.511) 11.520 11.490 ( -3.892 0.000 -5.103) 6.418 11.670 ( -34.536 0.000 1.755) 34.581 12.134 ( -6.244 0.000 0.370) 6.255 12.218 ( -3.305 0.000 8.719) 9.324 12.282 ( -2.359 0.000 -8.691) 9.005 12.623 ( 2.128 -0.000 -8.789) 9.042 13.259 ( -8.196 0.000 5.667) 9.964 13.452 ( 2.840 -0.000 0.617) 2.907 13.541 ( -10.709 0.000 7.029) 12.809 13.955 ( -11.165 0.000 -17.331) 20.616 20.265 ( -6.410 0.000 7.135) 9.591 20.438 ( -13.402 0.000 -1.737) 13.514 20.589 ( 7.275 -0.000 11.016) 13.202 21.167 ( -0.921 0.000 6.560) 6.624 21.294 ( 2.929 -0.000 5.083) 5.866 21.302 ( -0.156 0.000 -5.711) 5.713 21.421 ( 8.404 -0.000 -20.403) 22.066 21.541 ( 8.429 -0.000 -8.438) 11.927 21.777 ( -0.165 0.000 0.334) 0.373 22.035 ( -2.273 0.000 -7.394) 7.736 22.307 ( -0.823 0.000 8.626) 8.666 22.781 ( -0.326 0.000 -8.526) 8.532 24.392 ( 1.084 -0.000 12.205) 12.253 24.660 ( -0.391 0.000 0.976) 1.051 24.912 ( 1.660 -0.000 -1.281) 2.097 24.986 ( 3.773 -0.000 -4.704) 6.031 25.542 ( 1.429 -0.000 0.898) 1.688 25.628 ( -1.098 0.000 -3.720) 3.878 25.690 ( 11.522 -0.000 7.027) 13.496 26.193 ( 16.056 -0.000 -19.557) 25.304 26.972 ( -2.538 0.000 9.030) 9.379 27.063 ( -0.106 0.000 7.019) 7.020 27.292 ( -1.471 0.000 -5.668) 5.856 27.326 ( -2.457 0.000 -5.236) 5.784 38.220 ( 0.696 -0.000 0.613) 0.927 38.250 ( 0.689 -0.000 -0.712) 0.991 38.289 ( 1.767 -0.000 1.045) 2.053 38.382 ( 3.941 -0.000 -4.368) 5.883 38.767 ( 0.744 -0.000 0.666) 0.998 38.799 ( 0.686 -0.000 -0.761) 1.024 51.896 ( -2.211 0.000 1.056) 2.451 51.945 ( -1.294 0.000 -0.362) 1.344 52.901 ( -13.517 0.000 2.740) 13.792 53.170 ( -5.115 0.000 -6.659) 8.397 53.461 ( -2.622 0.000 -0.658) 2.704 53.556 ( 1.657 -0.000 -2.656) 3.131 54.377 ( 0.817 -0.000 5.918) 5.974 54.516 ( -3.235 0.000 -0.292) 3.248 55.095 ( 1.040 -0.000 0.369) 1.103 55.099 ( 1.385 -0.000 0.132) 1.391 55.659 ( -14.488 0.000 28.652) 32.107 56.418 ( -8.080 0.000 -11.036) 13.678 58.078 ( 0.474 -0.000 0.171) 0.504 58.090 ( 0.200 -0.000 -0.378) 0.427 58.178 ( 3.821 -0.000 3.356) 5.085 58.393 ( 5.304 -0.000 -7.363) 9.075 60.175 ( 0.062 -0.000 0.067) 0.091 60.178 ( -0.036 0.000 -0.099) 0.105 ======================= Grid point 234 (79/124) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 26.172 2.151 22.316) 34.462 3.193 ( 28.306 -9.149 19.535) 35.589 3.660 ( -3.924 5.624 -11.460) 13.355 4.083 ( 10.755 -7.219 -17.511) 21.781 4.200 ( 6.832 -6.791 -19.540) 21.785 4.247 ( 3.917 -8.365 -1.293) 9.327 5.016 ( 15.029 -9.371 35.196) 39.401 5.601 ( -4.811 6.118 -3.902) 8.706 5.701 ( 5.177 10.799 6.854) 13.798 5.890 ( -14.645 -8.493 -4.256) 17.456 6.114 ( -2.152 10.761 -4.690) 11.935 6.505 ( 2.729 2.478 14.813) 15.264 6.573 ( 0.278 0.077 9.300) 9.304 6.732 ( -4.538 -8.860 -2.913) 10.373 6.913 ( -2.613 0.095 -10.545) 10.864 7.031 ( -2.292 -4.188 9.311) 10.464 7.088 ( -6.415 -1.211 2.883) 7.137 7.533 ( 5.118 3.850 -5.101) 8.188 7.872 ( -1.267 0.581 -18.426) 18.479 8.001 ( 9.638 -2.517 -23.835) 25.833 8.507 ( -0.255 2.707 11.995) 12.300 8.683 ( 7.087 -3.426 15.572) 17.448 9.222 ( -3.285 -9.861 -13.271) 16.856 9.393 ( -9.045 -4.643 17.541) 20.274 9.466 ( 4.423 4.931 -2.414) 7.050 9.789 ( 9.696 6.946 -2.623) 12.213 9.923 ( 2.572 -6.665 -2.542) 7.583 9.936 ( 10.385 -6.757 17.676) 21.585 10.539 ( 9.883 0.923 19.650) 22.015 10.841 ( 4.451 1.301 2.996) 5.521 10.936 ( -23.823 6.680 13.867) 28.363 11.254 ( -8.015 5.553 -9.447) 13.577 11.358 ( -6.910 -0.345 -13.735) 15.379 11.494 ( 0.441 -0.243 -7.980) 7.996 12.054 ( -6.308 1.750 0.500) 6.566 12.152 ( -2.264 2.623 6.640) 7.489 12.324 ( 1.550 -3.308 -9.946) 10.596 12.618 ( 1.120 2.590 -10.340) 10.719 13.079 ( -17.363 4.718 11.125) 21.154 13.479 ( 1.150 -0.298 1.952) 2.285 13.496 ( 0.263 -1.082 1.507) 1.874 13.785 ( -11.887 5.770 -19.838) 23.836 20.228 ( -6.236 -2.629 4.286) 8.011 20.312 ( -13.094 -0.730 -0.600) 13.128 20.631 ( 6.246 3.177 10.442) 12.576 21.092 ( 0.177 6.130 2.895) 6.782 21.207 ( 3.236 8.979 -1.541) 9.668 21.317 ( -0.743 -1.139 -5.958) 6.111 21.559 ( 2.354 -6.112 -3.775) 7.560 21.653 ( 6.258 -2.836 -8.026) 10.565 21.772 ( 0.759 1.000 -0.549) 1.370 22.033 ( -2.130 -2.366 -6.896) 7.596 22.280 ( -0.557 2.144 9.064) 9.331 22.788 ( 0.014 -0.855 -8.928) 8.969 24.441 ( 1.046 -4.165 10.246) 11.109 24.675 ( 1.212 -1.066 0.340) 1.649 24.946 ( 2.302 -1.482 -1.093) 2.948 25.052 ( 4.254 -2.609 -5.479) 7.411 25.523 ( 0.581 3.115 0.283) 3.181 25.611 ( -1.322 0.652 -3.542) 3.836 25.817 ( 9.555 -1.626 8.241) 12.722 26.330 ( 8.841 -0.431 -17.221) 19.363 26.951 ( -2.413 -0.578 9.323) 9.648 27.057 ( -0.073 0.341 6.706) 6.715 27.278 ( -1.381 -0.085 -5.544) 5.714 27.302 ( -2.486 -0.103 -4.774) 5.384 38.236 ( 0.844 -0.832 0.579) 1.319 38.253 ( 1.102 0.204 0.051) 1.122 38.322 ( 1.152 -1.521 0.582) 1.995 38.416 ( 2.376 0.067 -4.235) 4.857 38.777 ( 0.764 -0.201 0.668) 1.034 38.809 ( 0.695 -0.299 -0.772) 1.081 51.857 ( -1.719 2.088 1.123) 2.929 51.949 ( -1.097 -1.821 -2.638) 3.388 52.771 ( -12.219 -0.184 4.461) 13.010 53.128 ( -4.146 -0.587 -9.731) 10.594 53.442 ( -2.806 -0.898 0.897) 3.080 53.566 ( 0.779 0.344 -2.449) 2.593 54.348 ( 0.690 4.103 4.906) 6.433 54.457 ( -1.116 3.528 -0.277) 3.711 55.044 ( 1.357 2.615 4.270) 5.187 55.208 ( 1.331 -6.481 -3.249) 7.371 55.498 ( -8.474 4.238 28.157) 29.709 56.306 ( -7.065 3.757 -12.404) 14.761 58.085 ( 0.956 0.578 0.158) 1.128 58.090 ( 0.898 -0.644 -0.112) 1.111 58.230 ( 2.136 -1.773 3.488) 4.457 58.433 ( 1.784 -0.034 -6.003) 6.263 60.174 ( 0.054 0.110 0.076) 0.144 60.178 ( -0.113 -0.039 -0.108) 0.162 ======================= Grid point 235 (80/124) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 16.349 2.450 20.105) 26.029 3.501 ( 4.665 -0.902 -1.324) 4.933 3.706 ( 21.989 -12.771 5.383) 25.992 4.213 ( 10.784 0.525 -20.969) 23.585 4.427 ( 6.983 -12.492 9.540) 17.199 4.572 ( 17.340 -6.439 -19.294) 26.728 5.198 ( -3.973 -5.503 5.723) 8.879 5.411 ( 1.296 8.753 2.080) 9.089 5.681 ( -1.497 -0.922 8.074) 8.263 5.886 ( -0.524 4.847 -5.023) 7.000 6.020 ( -5.606 -10.829 2.760) 12.503 6.421 ( -6.772 1.440 8.209) 10.738 6.543 ( -0.339 7.906 12.899) 15.133 6.824 ( -3.771 -2.353 -2.472) 5.086 6.854 ( -4.292 -1.111 -1.809) 4.789 6.977 ( -4.249 1.141 -1.415) 4.621 7.156 ( -3.623 -5.300 8.361) 10.541 7.407 ( 1.604 9.095 1.956) 9.440 7.878 ( -1.525 -2.280 -17.150) 17.368 8.188 ( 12.790 -2.260 -11.466) 17.326 8.476 ( -0.991 -3.175 11.212) 11.695 8.804 ( 4.771 -3.325 13.344) 14.556 9.258 ( -0.226 5.673 7.371) 9.304 9.363 ( -8.501 -4.083 10.751) 14.301 9.527 ( -5.605 -9.319 0.753) 10.900 9.694 ( 7.074 11.591 -6.068) 14.873 10.012 ( -3.147 -3.172 -6.461) 7.856 10.224 ( 11.896 -11.596 11.746) 20.346 10.555 ( -16.690 8.942 12.470) 22.672 10.622 ( 2.845 -2.138 16.423) 16.805 10.878 ( 7.047 2.227 0.383) 7.400 11.076 ( -2.671 3.009 -7.212) 8.258 11.428 ( 1.988 -4.636 -16.009) 16.785 11.504 ( 1.367 0.095 -8.169) 8.284 11.963 ( -5.823 1.524 2.754) 6.619 12.094 ( -1.049 2.499 6.588) 7.124 12.330 ( -1.245 7.820 -1.383) 8.038 12.584 ( 0.187 -1.219 -11.191) 11.259 12.866 ( -9.762 1.312 1.016) 9.902 13.487 ( -4.616 2.924 -2.864) 6.169 13.516 ( 0.734 -0.705 -1.632) 1.924 13.572 ( -3.910 4.152 -15.806) 16.804 20.202 ( -11.321 -2.231 1.234) 11.605 20.229 ( -6.037 -3.027 0.164) 6.755 20.609 ( 4.483 5.205 7.904) 10.472 20.984 ( 3.405 8.399 -1.023) 9.121 21.096 ( 1.753 6.117 -1.220) 6.479 21.328 ( 0.117 -0.637 -6.711) 6.742 21.651 ( -1.938 -3.877 0.759) 4.400 21.719 ( 3.338 1.537 -7.473) 8.328 21.776 ( 1.297 -1.394 5.067) 5.413 22.073 ( -1.395 -4.183 -6.137) 7.557 22.231 ( -0.382 2.734 11.692) 12.014 22.806 ( 0.251 -0.864 -8.676) 8.722 24.542 ( 0.756 -6.154 7.461) 9.701 24.717 ( 1.952 -1.793 -0.269) 2.664 25.004 ( 2.323 -2.371 -0.557) 3.366 25.146 ( 3.989 -3.113 -6.140) 7.956 25.454 ( -0.580 4.721 0.014) 4.757 25.572 ( -1.868 2.216 -4.207) 5.109 25.911 ( 5.695 -0.144 8.139) 9.935 26.376 ( 3.397 1.744 -13.962) 14.475 26.947 ( -1.816 -1.366 9.476) 9.745 27.059 ( 0.312 -0.537 6.571) 6.600 27.266 ( -1.162 0.169 -4.098) 4.262 27.284 ( -1.919 -0.543 -4.920) 5.308 38.260 ( 1.164 -0.764 0.736) 1.575 38.272 ( 1.270 -0.960 0.406) 1.643 38.355 ( 0.402 -1.269 -0.073) 1.333 38.423 ( 0.615 0.832 -3.250) 3.410 38.788 ( 0.645 -0.265 0.691) 0.981 38.822 ( 0.582 -0.393 -0.808) 1.071 51.798 ( -0.959 3.035 2.136) 3.833 51.980 ( -0.624 -2.596 -6.546) 7.070 52.676 ( -9.498 -1.540 6.204) 11.448 53.111 ( -2.549 -1.286 -12.629) 12.948 53.436 ( -2.892 -1.625 1.700) 3.727 53.560 ( -0.130 0.693 -1.695) 1.836 54.263 ( 0.789 5.996 4.892) 7.778 54.385 ( 1.085 4.724 -1.790) 5.167 55.034 ( 1.477 0.310 8.437) 8.570 55.344 ( 1.368 -7.605 -5.705) 9.605 55.358 ( -4.390 4.559 25.912) 26.674 56.160 ( -5.254 5.867 -13.012) 15.209 58.093 ( 1.940 0.146 0.764) 2.091 58.121 ( 2.080 -1.156 -0.583) 2.450 58.269 ( -0.133 -1.528 2.934) 3.311 58.427 ( -1.110 1.037 -4.174) 4.442 60.172 ( -0.028 0.148 0.100) 0.181 60.177 ( -0.201 -0.013 -0.129) 0.239 ======================= Grid point 236 (81/124) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 7.959 8.073 19.675) 22.708 3.753 ( 15.121 -11.460 1.590) 19.039 4.137 ( 18.821 -10.518 -1.073) 21.588 4.298 ( 7.257 0.254 -15.574) 17.184 4.659 ( 12.312 4.746 5.780) 14.406 4.779 ( 15.142 -7.039 -4.806) 17.376 5.164 ( 1.136 3.271 -7.035) 7.841 5.472 ( -5.419 -11.132 0.811) 12.407 5.656 ( -5.826 -3.038 6.909) 9.534 5.861 ( 2.278 -3.835 -10.594) 11.494 6.094 ( -6.171 -1.907 11.748) 13.406 6.265 ( -11.178 13.067 8.265) 19.079 6.359 ( -5.700 5.359 8.204) 11.337 6.683 ( -3.081 5.019 2.552) 6.419 6.883 ( -11.725 0.999 -5.563) 13.016 6.943 ( 1.595 -3.060 -9.762) 10.354 7.121 ( -8.036 -1.341 5.973) 10.102 7.414 ( 1.483 -3.446 1.495) 4.038 7.960 ( 6.092 -7.006 -4.793) 10.448 8.208 ( 3.973 7.629 10.248) 13.380 8.636 ( 1.032 -8.549 11.571) 14.423 8.926 ( 6.746 -5.756 -1.398) 8.977 9.118 ( 2.424 8.743 11.536) 14.677 9.341 ( -4.381 -0.179 9.037) 10.045 9.439 ( 1.721 10.326 18.930) 21.631 9.745 ( -5.443 -11.875 -13.772) 18.982 9.937 ( -6.748 7.597 -3.265) 10.673 10.274 ( -11.939 2.117 7.592) 14.306 10.454 ( 3.993 -3.007 2.731) 5.697 10.801 ( 4.252 -11.252 7.690) 14.276 10.898 ( 3.210 1.408 -6.109) 7.043 11.099 ( 10.432 -0.466 -1.715) 10.582 11.485 ( -2.385 -2.288 -9.092) 9.674 11.556 ( 3.053 -3.340 -9.964) 10.944 11.846 ( -8.241 7.943 8.403) 14.199 12.004 ( -0.071 8.100 4.721) 9.376 12.131 ( -4.108 2.942 10.691) 11.825 12.651 ( 2.784 -2.200 -7.122) 7.957 12.847 ( -0.924 -3.536 -16.337) 16.741 13.284 ( -7.631 7.344 -20.857) 23.392 13.544 ( 1.224 -0.560 -0.858) 1.596 13.569 ( 1.046 -0.488 -1.071) 1.575 20.150 ( -9.244 -4.476 0.945) 10.314 20.239 ( -4.236 -3.705 -2.137) 6.020 20.553 ( 2.822 5.130 5.192) 7.826 20.871 ( 4.422 8.977 -5.906) 11.620 21.038 ( 2.020 2.866 2.952) 4.583 21.347 ( 2.393 -0.305 -7.486) 7.865 21.642 ( -3.242 1.386 -1.628) 3.883 21.712 ( -0.067 0.373 -1.605) 1.649 21.819 ( 0.489 -1.762 6.856) 7.096 22.140 ( -0.268 -4.054 -2.725) 4.892 22.186 ( -0.631 1.680 13.065) 13.188 22.822 ( 0.449 -0.640 -8.156) 8.193 24.658 ( 0.536 -6.157 5.110) 8.019 24.768 ( 1.876 -1.629 -0.524) 2.539 25.072 ( 2.051 -3.022 -0.022) 3.652 25.229 ( 3.208 -2.282 -5.814) 7.022 25.353 ( -1.408 5.583 -0.510) 5.780 25.496 ( -2.754 3.912 -5.222) 7.082 25.934 ( 2.428 1.789 7.694) 8.264 26.359 ( 0.963 2.026 -12.266) 12.470 26.959 ( -1.140 -1.586 9.368) 9.569 27.081 ( 0.461 -1.386 6.213) 6.382 27.252 ( -0.671 0.108 -2.108) 2.215 27.281 ( -1.125 -0.682 -5.101) 5.268 38.283 ( 1.424 -0.162 1.037) 1.769 38.304 ( 0.977 -1.364 0.378) 1.720 38.372 ( 0.216 -0.269 -0.770) 0.844 38.406 ( -0.764 0.553 -2.144) 2.342 38.797 ( 0.400 -0.111 0.724) 0.835 38.832 ( 0.378 -0.236 -0.852) 0.961 51.740 ( -0.233 2.784 3.563) 4.528 52.020 ( -0.177 -2.255 -10.155) 10.404 52.639 ( -6.280 -3.312 7.396) 10.252 53.123 ( -0.646 -2.028 -14.804) 14.956 53.440 ( -2.790 -2.134 1.848) 3.968 53.545 ( -0.737 0.359 -0.516) 0.969 54.171 ( 1.132 5.539 5.119) 7.627 54.316 ( 1.713 4.907 -3.253) 6.132 55.060 ( 1.492 -1.596 12.365) 12.556 55.243 ( -2.554 4.609 24.112) 24.681 55.502 ( 1.461 -8.753 -8.361) 12.192 56.004 ( -3.494 7.046 -12.738) 14.970 58.112 ( 2.561 0.613 1.339) 2.954 58.162 ( 3.346 0.017 -0.904) 3.466 58.288 ( -1.662 -2.005 1.756) 3.141 58.387 ( -2.966 0.646 -2.617) 4.008 60.169 ( -0.089 0.100 0.128) 0.185 60.175 ( -0.248 -0.062 -0.147) 0.295 ======================= Grid point 237 (82/124) ======================= q-point: ( 0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 11.646 3.697 21.543) 24.767 4.069 ( 15.353 -5.419 2.890) 16.536 4.300 ( 6.520 7.538 -12.585) 16.054 4.414 ( 16.061 -1.176 -5.755) 17.102 4.650 ( 7.890 6.252 4.222) 10.917 4.977 ( -5.065 -6.824 16.660) 18.703 5.189 ( 8.138 1.873 -18.975) 20.731 5.446 ( -2.312 8.885 5.850) 10.886 5.723 ( -0.845 -8.226 2.493) 8.637 5.868 ( -10.313 13.777 19.722) 26.175 6.039 ( -13.240 -5.835 2.348) 14.658 6.122 ( 1.330 -1.091 -16.273) 16.364 6.171 ( -2.912 -10.100 4.837) 11.571 6.676 ( 5.618 0.229 6.817) 8.836 6.695 ( -14.032 1.846 -14.062) 19.951 7.032 ( -4.312 -5.512 1.636) 7.187 7.088 ( -1.168 -1.495 -4.867) 5.224 7.401 ( -10.137 -0.624 -9.786) 14.104 8.038 ( 4.066 14.788 15.631) 21.899 8.237 ( 8.463 -11.680 -0.113) 14.424 8.695 ( -0.989 -1.090 21.489) 21.539 8.972 ( -1.774 2.202 2.544) 3.804 9.126 ( 6.785 6.311 27.643) 29.154 9.284 ( 6.502 -1.048 4.055) 7.734 9.478 ( 3.909 -10.399 2.758) 11.446 9.663 ( -6.342 13.542 1.289) 15.009 9.879 ( -6.320 -9.722 -9.445) 14.956 10.189 ( -8.938 -1.954 4.765) 10.316 10.498 ( -0.028 -1.070 2.109) 2.365 10.854 ( 0.646 3.539 -25.424) 25.677 10.988 ( 1.400 -3.633 9.693) 10.446 11.229 ( 7.294 2.689 4.028) 8.755 11.505 ( -1.268 -2.522 -8.720) 9.166 11.562 ( -3.766 6.905 11.349) 13.808 11.635 ( 1.475 -1.446 -4.711) 5.144 11.920 ( -0.640 2.036 -0.959) 2.340 12.118 ( -0.799 -1.681 13.511) 13.639 12.709 ( 2.088 -2.482 -4.797) 5.791 12.902 ( 0.963 -1.292 -20.513) 20.576 13.140 ( -3.582 2.046 -21.762) 22.150 13.556 ( 0.912 0.372 -0.364) 1.050 13.577 ( 0.080 0.335 -0.536) 0.637 20.184 ( -5.452 -7.898 0.263) 9.601 20.273 ( -2.462 -4.021 -3.291) 5.749 20.500 ( 1.063 2.720 2.789) 4.038 20.767 ( 3.075 7.172 -8.411) 11.474 21.030 ( 3.601 1.561 5.486) 6.745 21.388 ( 4.902 -0.225 -7.563) 9.015 21.571 ( -3.046 2.701 -0.826) 4.154 21.693 ( -3.546 0.048 -2.080) 4.111 21.840 ( -0.079 -0.542 8.774) 8.791 22.147 ( -0.259 1.261 22.120) 22.157 22.213 ( -0.147 -3.378 -7.501) 8.228 22.838 ( 0.588 -0.663 -7.975) 8.024 24.750 ( 0.192 -3.429 2.434) 4.210 24.798 ( 1.134 0.170 -0.524) 1.261 25.145 ( 1.949 -2.550 0.522) 3.251 25.238 ( -1.986 3.989 0.671) 4.506 25.291 ( 2.312 -0.063 -6.564) 6.960 25.401 ( -2.890 2.419 -5.528) 6.691 25.908 ( 0.550 2.677 7.793) 8.259 26.337 ( 0.198 1.190 -12.449) 12.507 26.976 ( -0.600 -1.303 9.051) 9.164 27.103 ( 0.003 -0.529 6.139) 6.161 27.257 ( 0.476 -0.826 -1.763) 2.004 27.284 ( -0.743 -0.822 -4.417) 4.553 38.283 ( 0.401 1.187 1.089) 1.660 38.332 ( 1.060 0.125 -0.573) 1.211 38.361 ( -0.378 0.341 -0.016) 0.510 38.411 ( -0.326 -1.495 -1.745) 2.321 38.799 ( 0.128 0.216 0.761) 0.801 38.836 ( 0.151 0.099 -0.903) 0.921 51.701 ( 0.150 1.544 4.664) 4.915 52.050 ( 0.066 -1.273 -12.798) 12.861 52.665 ( -3.202 -5.098 7.927) 9.953 53.168 ( 1.286 -2.807 -15.756) 16.055 53.450 ( -2.700 -2.006 1.355) 3.627 53.540 ( -0.681 -0.815 0.691) 1.267 54.099 ( 1.008 3.900 5.342) 6.690 54.251 ( 1.311 4.288 -3.635) 5.772 55.111 ( 1.227 -1.498 17.555) 17.662 55.150 ( -1.481 2.723 20.441) 20.675 55.674 ( 1.374 -9.501 -10.270) 14.058 55.849 ( -2.077 7.632 -11.957) 14.337 58.111 ( 1.604 1.994 1.598) 3.017 58.173 ( 3.072 2.590 -1.053) 4.154 58.305 ( -2.025 -1.662 1.057) 2.825 58.374 ( -2.085 -2.813 -1.934) 4.000 60.167 ( -0.104 0.051 0.188) 0.221 60.176 ( -0.182 -0.243 -0.201) 0.364 ======================= Grid point 238 (83/124) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 9.717 -2.375 19.675) 22.072 4.112 ( 11.659 17.519 3.814) 21.386 4.239 ( 6.635 11.804 2.136) 13.708 4.403 ( 5.069 11.251 2.651) 12.622 4.663 ( 0.585 -3.048 -0.957) 3.248 4.944 ( -18.914 10.424 -1.043) 21.621 5.011 ( 7.556 7.864 0.288) 10.909 5.347 ( 7.687 6.825 -6.905) 12.383 5.501 ( -16.349 10.894 2.882) 19.856 5.912 ( 1.684 -12.787 4.706) 13.729 5.970 ( -0.951 -0.868 11.670) 11.741 6.356 ( 1.525 -15.956 -6.016) 17.120 6.412 ( 2.071 -12.400 -6.690) 14.241 6.603 ( -10.401 -6.468 -13.700) 18.377 6.748 ( 6.066 -1.417 8.015) 10.151 7.017 ( -6.648 -2.257 7.797) 10.492 7.162 ( 4.738 -1.727 -9.241) 10.528 7.303 ( -9.804 -1.200 -8.970) 13.343 7.832 ( 2.714 9.996 13.229) 16.801 8.441 ( 1.966 -3.549 -11.090) 11.809 8.693 ( 0.286 1.827 27.558) 27.620 8.931 ( -0.149 -0.117 1.318) 1.331 9.023 ( 2.976 6.892 44.824) 45.448 9.369 ( 3.180 9.915 -15.746) 18.877 9.461 ( -3.338 -5.944 13.171) 14.830 9.728 ( 7.961 -5.451 -14.472) 17.393 9.953 ( -8.320 -6.822 -6.113) 12.375 10.156 ( -3.080 -4.519 13.020) 14.122 10.512 ( -1.028 -0.632 18.972) 19.011 10.777 ( 0.642 5.980 -31.370) 31.942 10.976 ( 0.009 5.353 12.056) 13.191 11.041 ( -1.028 12.489 -0.004) 12.531 11.515 ( -0.965 -0.430 -11.322) 11.371 11.620 ( 0.052 4.849 -6.677) 8.253 11.700 ( 3.459 -14.125 6.122) 15.779 11.930 ( -0.299 -4.035 -3.654) 5.452 12.138 ( -0.314 -1.022 14.543) 14.583 12.792 ( 2.983 -4.114 -5.664) 7.610 12.882 ( -1.351 2.940 -17.283) 17.583 13.168 ( -0.274 -7.596 -19.421) 20.855 13.543 ( 0.314 2.090 0.529) 2.179 13.567 ( -0.197 0.330 -0.686) 0.787 20.304 ( -1.831 -9.512 -0.836) 9.723 20.309 ( -0.625 -1.122 -1.637) 2.080 20.511 ( -0.366 -4.745 -0.530) 4.788 20.690 ( 1.318 4.097 -9.147) 10.109 21.045 ( 3.805 1.330 6.998) 8.076 21.443 ( 4.272 0.316 -3.145) 5.314 21.504 ( -0.345 2.034 -3.890) 4.404 21.637 ( -5.983 0.957 -3.740) 7.120 21.837 ( -0.160 0.763 10.076) 10.106 22.132 ( -0.179 0.054 24.718) 24.719 22.254 ( 0.119 -1.242 -7.762) 7.861 22.856 ( 0.499 -0.694 -8.242) 8.286 24.753 ( -0.209 2.975 0.523) 3.028 24.797 ( 0.347 0.597 -0.844) 1.091 25.112 ( -0.212 5.115 -0.832) 5.186 25.243 ( 0.140 3.191 -5.997) 6.795 25.259 ( -0.402 -3.420 1.392) 3.715 25.419 ( -0.184 -4.610 -4.048) 6.138 25.858 ( -0.258 3.231 8.173) 8.792 26.317 ( -0.101 1.434 -13.681) 13.757 26.991 ( -0.219 -0.926 8.610) 8.662 27.099 ( -0.093 0.762 7.064) 7.105 27.275 ( 0.269 -0.421 -4.537) 4.565 27.305 ( 0.082 -2.143 -2.388) 3.209 38.258 ( -0.175 1.632 1.098) 1.974 38.311 ( 0.085 1.851 -1.305) 2.266 38.370 ( 0.069 -0.459 0.834) 0.954 38.435 ( 0.115 -1.080 -2.093) 2.358 38.792 ( -0.034 0.545 0.798) 0.967 38.832 ( 0.003 0.450 -0.955) 1.056 51.693 ( 0.203 -0.505 4.954) 4.983 52.064 ( 0.094 -0.205 -14.079) 14.081 52.747 ( -0.878 -6.568 7.921) 10.327 53.243 ( 2.490 -3.489 -15.710) 16.284 53.451 ( -2.571 -1.117 1.436) 3.149 53.560 ( -0.124 -1.743 0.582) 1.841 54.061 ( 0.506 1.222 5.628) 5.781 54.198 ( 0.486 2.690 -2.585) 3.763 55.055 ( -0.602 3.952 20.295) 20.685 55.201 ( 0.639 -4.809 18.897) 19.510 55.696 ( -0.736 8.081 -10.856) 13.553 55.860 ( 0.760 -10.324 -11.786) 15.687 58.081 ( 0.300 2.210 1.356) 2.610 58.138 ( 1.149 3.394 -1.185) 3.774 58.311 ( -1.078 -0.956 2.144) 2.583 58.424 ( -0.234 -3.376 -2.935) 4.479 60.166 ( -0.075 -0.007 0.313) 0.322 60.180 ( -0.052 -0.343 -0.327) 0.477 ======================= Grid point 239 (84/124) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 0.000 -8.331 15.031) 17.185 3.768 ( -0.000 28.942 17.381) 33.760 3.847 ( -0.000 29.465 11.851) 31.760 4.308 ( -0.000 11.821 3.353) 12.287 4.476 ( -0.000 13.655 -14.821) 20.152 4.765 ( -0.000 4.119 -10.764) 11.525 4.948 ( -0.000 2.507 -17.221) 17.402 5.279 ( -0.000 4.201 28.397) 28.707 5.337 ( 0.000 -0.126 -18.113) 18.114 5.894 ( -0.000 8.132 18.635) 20.332 6.174 ( 0.000 -13.865 7.626) 15.824 6.534 ( 0.000 -6.082 -12.169) 13.604 6.689 ( 0.000 -6.466 -10.855) 12.635 6.694 ( 0.000 -15.552 -4.239) 16.120 6.829 ( 0.000 -4.046 8.090) 9.045 7.023 ( 0.000 -2.803 5.945) 6.573 7.226 ( -0.000 1.842 -7.288) 7.517 7.255 ( 0.000 -4.355 -5.514) 7.026 7.804 ( 0.000 -4.291 9.516) 10.439 8.362 ( -0.000 11.496 -15.501) 19.299 8.612 ( -0.000 7.650 31.669) 32.580 8.989 ( 0.000 -1.546 42.491) 42.519 9.013 ( 0.000 -7.169 -4.442) 8.434 9.222 ( -0.000 6.741 -11.408) 13.251 9.536 ( 0.000 -2.657 6.983) 7.471 9.728 ( -0.000 7.756 -20.415) 21.839 9.899 ( -0.000 6.233 -9.619) 11.462 10.413 ( 0.000 -18.179 25.313) 31.164 10.424 ( -0.000 5.123 27.352) 27.828 10.631 ( -0.000 13.267 -23.899) 27.335 10.861 ( -0.000 5.595 8.053) 9.806 11.007 ( 0.000 -10.636 -3.816) 11.300 11.495 ( -0.000 2.311 -13.710) 13.904 11.495 ( -0.000 8.379 -13.499) 15.889 11.984 ( 0.000 -15.417 1.386) 15.479 12.028 ( 0.000 -6.578 -1.535) 6.754 12.155 ( 0.000 -1.435 12.446) 12.528 12.773 ( -0.000 6.576 -15.385) 16.731 12.940 ( 0.000 -9.583 -1.108) 9.647 13.363 ( 0.000 -13.338 -15.980) 20.815 13.505 ( -0.000 1.365 1.355) 1.923 13.561 ( -0.000 0.280 -1.244) 1.275 20.303 ( -0.000 0.701 -0.320) 0.771 20.451 ( 0.000 -7.919 -2.355) 8.262 20.651 ( 0.000 -7.638 -2.768) 8.124 20.662 ( 0.000 -3.095 -7.532) 8.143 21.038 ( -0.000 2.411 8.063) 8.416 21.419 ( -0.000 2.413 4.477) 5.086 21.525 ( -0.000 0.669 -13.079) 13.096 21.552 ( -0.000 2.381 -1.287) 2.707 21.814 ( -0.000 1.574 9.554) 9.683 22.144 ( 0.000 -1.566 24.687) 24.736 22.256 ( -0.000 1.077 -8.613) 8.680 22.868 ( 0.000 -0.231 -8.574) 8.577 24.673 ( -0.000 5.596 1.269) 5.738 24.777 ( -0.000 1.562 -2.408) 2.870 25.031 ( -0.000 3.976 -0.743) 4.045 25.165 ( -0.000 3.931 -7.351) 8.337 25.341 ( 0.000 -4.162 3.454) 5.408 25.505 ( 0.000 -4.917 -3.641) 6.118 25.790 ( -0.000 4.618 8.119) 9.341 26.277 ( -0.000 3.402 -15.411) 15.782 27.004 ( 0.000 -0.715 8.205) 8.236 27.080 ( -0.000 1.266 8.135) 8.233 27.283 ( 0.000 -0.479 -4.930) 4.953 27.344 ( 0.000 -1.907 -3.647) 4.116 38.231 ( -0.000 1.192 1.092) 1.616 38.282 ( -0.000 1.489 -1.190) 1.906 38.365 ( -0.000 1.087 0.849) 1.379 38.444 ( -0.000 0.272 -2.903) 2.916 38.781 ( -0.000 0.699 0.829) 1.084 38.822 ( -0.000 0.677 -0.978) 1.189 51.724 ( 0.000 -2.830 4.435) 5.261 52.061 ( -0.000 0.608 -13.506) 13.519 52.866 ( 0.000 -7.362 7.359) 10.409 53.323 ( 0.000 -3.425 -15.002) 15.388 53.445 ( 0.000 -0.206 2.148) 2.158 53.585 ( 0.000 -0.919 -1.235) 1.539 54.073 ( 0.000 -2.445 6.046) 6.522 54.179 ( 0.000 -0.664 -0.060) 0.667 54.993 ( -0.000 2.768 17.368) 17.587 55.303 ( 0.000 -6.687 22.630) 23.598 55.552 ( -0.000 8.154 -9.582) 12.582 56.048 ( 0.000 -10.898 -12.545) 16.618 58.050 ( -0.000 1.398 0.967) 1.700 58.092 ( -0.000 2.406 -0.902) 2.569 58.308 ( -0.000 0.904 2.915) 3.052 58.468 ( 0.000 -1.480 -4.381) 4.624 60.166 ( 0.000 -0.059 0.419) 0.423 60.185 ( 0.000 -0.230 -0.439) 0.495 ======================= Grid point 244 (85/124) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( 23.681 -0.000 20.699) 31.452 3.354 ( 25.698 -0.000 8.675) 27.122 3.723 ( -1.016 0.000 -2.033) 2.272 4.037 ( 7.813 -0.000 -1.762) 8.009 4.181 ( 5.512 -0.000 11.971) 13.179 4.288 ( 13.869 -0.000 -17.059) 21.986 5.143 ( 21.305 -0.000 23.586) 31.784 5.603 ( -18.256 0.000 -4.876) 18.896 5.690 ( 4.967 -0.000 -10.870) 11.951 5.822 ( -5.203 0.000 11.671) 12.778 6.201 ( -3.339 0.000 1.197) 3.547 6.346 ( -13.523 0.000 0.243) 13.525 6.610 ( -6.011 0.000 -4.326) 7.406 6.753 ( 16.461 -0.000 17.421) 23.968 6.855 ( -3.003 0.000 -8.369) 8.891 6.964 ( -1.274 0.000 12.347) 12.413 7.026 ( -8.215 0.000 -4.045) 9.157 7.641 ( 8.022 -0.000 -6.206) 10.143 7.977 ( 7.273 -0.000 -13.506) 15.339 8.001 ( 5.279 -0.000 -30.322) 30.778 8.542 ( 0.702 -0.000 4.194) 4.252 8.726 ( 7.194 -0.000 19.461) 20.748 9.031 ( -12.462 0.000 -15.180) 19.640 9.234 ( -12.234 0.000 27.237) 29.859 9.582 ( 2.836 -0.000 -6.068) 6.698 9.842 ( 1.837 -0.000 -3.827) 4.245 9.975 ( 8.681 -0.000 0.589) 8.701 9.979 ( 11.172 -0.000 22.754) 25.349 10.588 ( -0.410 0.000 9.927) 9.935 10.748 ( -22.833 0.000 11.520) 25.575 10.952 ( 12.218 -0.000 8.934) 15.136 11.168 ( -14.070 0.000 -4.912) 14.902 11.350 ( 3.928 -0.000 -17.338) 17.778 11.499 ( 1.097 -0.000 -7.335) 7.416 12.012 ( -5.692 0.000 0.115) 5.693 12.146 ( -4.120 0.000 10.589) 11.362 12.327 ( 6.773 -0.000 -18.100) 19.326 12.657 ( 1.255 -0.000 -11.521) 11.590 12.921 ( -21.197 0.000 14.990) 25.962 13.485 ( 1.235 -0.000 1.255) 1.761 13.497 ( 1.077 -0.000 1.785) 2.085 13.709 ( -12.570 0.000 -22.655) 25.909 20.153 ( -4.481 0.000 2.984) 5.384 20.183 ( -11.587 0.000 0.505) 11.598 20.724 ( 5.831 -0.000 12.167) 13.492 21.112 ( -3.802 0.000 4.214) 5.675 21.293 ( -0.450 0.000 -4.940) 4.960 21.368 ( 3.779 -0.000 11.390) 12.000 21.484 ( -0.569 0.000 -11.719) 11.733 21.684 ( 5.300 -0.000 -6.907) 8.706 21.799 ( 2.185 -0.000 -8.397) 8.676 21.991 ( -2.016 0.000 -6.509) 6.814 22.296 ( -0.254 0.000 7.312) 7.316 22.784 ( 0.563 -0.000 -9.722) 9.738 24.414 ( 1.063 -0.000 12.245) 12.291 24.684 ( 2.106 -0.000 -0.058) 2.106 24.960 ( 2.863 -0.000 -1.397) 3.186 25.075 ( 4.899 -0.000 -6.179) 7.885 25.560 ( 0.520 -0.000 -0.006) 0.520 25.598 ( -1.901 0.000 -2.524) 3.160 25.897 ( 8.725 -0.000 8.805) 12.396 26.408 ( 6.533 -0.000 -15.928) 17.216 26.920 ( -2.517 0.000 9.639) 9.963 27.059 ( -0.325 0.000 6.076) 6.085 27.261 ( -1.549 0.000 -6.116) 6.310 27.276 ( -2.373 0.000 -4.052) 4.695 38.237 ( 0.955 -0.000 0.615) 1.136 38.265 ( 0.734 -0.000 -0.635) 0.971 38.320 ( 1.294 -0.000 1.697) 2.134 38.440 ( 1.973 -0.000 -4.291) 4.723 38.782 ( 0.743 -0.000 0.639) 0.980 38.813 ( 0.689 -0.000 -0.735) 1.007 51.860 ( -1.353 0.000 0.011) 1.353 51.920 ( -1.092 0.000 -1.586) 1.925 52.649 ( -11.329 0.000 5.726) 12.694 53.083 ( -3.494 0.000 -13.009) 13.470 53.408 ( -2.544 0.000 3.402) 4.248 53.577 ( 0.616 -0.000 -2.816) 2.883 54.394 ( 0.880 -0.000 3.777) 3.878 54.472 ( -1.266 0.000 0.242) 1.289 55.115 ( 0.979 -0.000 0.428) 1.068 55.128 ( 1.433 -0.000 -0.217) 1.450 55.454 ( -6.998 0.000 27.567) 28.442 56.269 ( -6.593 0.000 -12.885) 14.473 58.087 ( 0.420 -0.000 0.052) 0.423 58.094 ( 0.235 -0.000 -0.290) 0.374 58.241 ( 2.361 -0.000 4.232) 4.846 58.454 ( 1.418 -0.000 -5.652) 5.827 60.176 ( 0.042 -0.000 0.019) 0.046 60.177 ( -0.064 0.000 -0.054) 0.083 ======================= Grid point 245 (86/124) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( 19.984 4.143 11.793) 23.571 3.592 ( 4.808 5.875 13.079) 15.123 3.717 ( 16.189 -7.409 9.228) 20.053 4.235 ( 4.668 -13.012 10.659) 17.456 4.312 ( 7.543 -2.021 -3.886) 8.723 4.548 ( 18.684 -12.758 -4.804) 23.129 5.244 ( 4.519 5.983 -0.315) 7.505 5.545 ( -6.689 -4.327 6.717) 10.420 5.596 ( -7.862 7.448 2.004) 11.014 5.816 ( 9.275 -3.371 5.383) 11.241 6.084 ( -1.163 8.501 -2.411) 8.912 6.325 ( -5.109 -4.459 1.301) 6.905 6.556 ( -8.307 -3.077 -1.079) 8.924 6.754 ( 0.493 5.550 1.729) 5.833 6.868 ( -5.761 1.850 -1.463) 6.225 6.944 ( -5.290 -0.701 -6.055) 8.071 7.056 ( 5.649 -5.519 12.931) 15.152 7.611 ( 2.857 10.506 -3.781) 11.525 7.915 ( 4.879 5.366 -19.283) 20.602 8.194 ( 7.872 -8.302 -19.351) 22.481 8.505 ( 0.396 5.072 7.521) 9.081 8.799 ( 3.396 -1.770 17.020) 17.445 9.032 ( -13.113 -14.377 -15.280) 24.741 9.186 ( -10.213 -7.471 28.536) 31.216 9.531 ( 2.341 6.360 4.488) 8.128 9.878 ( -2.461 -0.884 -6.974) 7.449 9.981 ( 3.810 5.605 4.475) 8.121 10.172 ( 12.318 -8.292 18.664) 23.850 10.506 ( -14.785 4.611 7.299) 17.121 10.574 ( -4.900 -1.359 5.127) 7.222 11.010 ( 3.457 4.111 -0.421) 5.388 11.104 ( 5.876 0.341 -1.767) 6.145 11.384 ( -0.448 -2.002 -9.470) 9.690 11.525 ( 3.522 -0.195 -10.405) 10.987 11.940 ( -4.956 1.814 2.774) 5.963 12.094 ( -4.154 0.618 10.119) 10.956 12.423 ( 6.175 0.603 -14.376) 15.658 12.590 ( -5.438 4.462 -3.405) 7.815 12.760 ( -9.241 -2.306 1.395) 9.626 13.471 ( -7.301 1.840 -5.399) 9.265 13.511 ( 1.474 -0.973 -0.190) 1.777 13.585 ( -3.716 1.854 -17.062) 17.560 20.078 ( -9.327 -0.284 2.058) 9.556 20.135 ( -3.589 -2.036 0.476) 4.153 20.739 ( 4.392 3.964 11.071) 12.553 21.059 ( -2.464 1.582 4.566) 5.425 21.273 ( 2.575 9.626 0.152) 9.966 21.306 ( -0.192 -1.370 -5.650) 5.817 21.556 ( -1.632 -5.119 1.610) 5.609 21.742 ( 2.989 -1.388 -2.184) 3.954 21.805 ( 1.929 1.783 -10.549) 10.871 21.996 ( -1.520 -2.704 -6.580) 7.274 22.275 ( -0.015 2.197 8.392) 8.675 22.797 ( 0.725 -0.652 -9.769) 9.817 24.459 ( 0.691 -3.883 11.194) 11.868 24.714 ( 2.179 -0.982 -0.715) 2.495 24.998 ( 2.564 -1.091 -1.080) 2.989 25.143 ( 4.635 -2.094 -7.028) 8.676 25.522 ( -0.681 3.681 -0.267) 3.752 25.581 ( -1.548 0.648 -2.440) 2.961 25.971 ( 5.817 0.304 8.695) 10.466 26.442 ( 3.198 1.804 -13.555) 14.044 26.906 ( -1.991 -1.027 9.925) 10.175 27.055 ( -0.169 -0.072 5.898) 5.901 27.252 ( -1.201 -0.442 -5.911) 6.048 27.256 ( -1.934 -0.267 -3.596) 4.092 38.253 ( 0.811 -0.760 0.590) 1.258 38.276 ( 1.108 -0.447 -0.178) 1.208 38.338 ( 0.490 -0.774 1.294) 1.585 38.448 ( 1.034 0.876 -3.706) 3.946 38.791 ( 0.608 -0.150 0.646) 0.900 38.822 ( 0.564 -0.239 -0.743) 0.963 51.831 ( -0.917 1.874 0.385) 2.121 51.931 ( -0.656 -2.120 -3.717) 4.330 52.558 ( -8.771 -1.273 7.272) 11.465 53.063 ( -2.421 -1.091 -15.903) 16.123 53.390 ( -2.227 -0.678 4.806) 5.340 53.575 ( 0.182 0.810 -2.608) 2.737 54.361 ( 0.586 4.269 3.753) 5.714 54.449 ( 0.100 1.856 -0.844) 2.042 55.069 ( 1.056 2.435 4.130) 4.910 55.233 ( 1.098 -6.586 -3.401) 7.493 55.375 ( -4.302 2.367 26.501) 26.952 56.184 ( -4.969 2.901 -13.215) 14.413 58.103 ( 0.812 -0.644 0.044) 1.037 58.107 ( 0.761 -1.696 -0.157) 1.865 58.260 ( 0.866 -0.013 3.945) 4.039 58.449 ( 0.053 1.640 -4.601) 4.885 60.174 ( -0.051 0.158 0.032) 0.169 60.177 ( -0.044 0.049 -0.064) 0.092 ======================= Grid point 246 (87/124) ======================= q-point: ( 0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( 9.224 10.237 23.758) 27.465 3.735 ( 14.565 -8.546 7.044) 18.297 4.063 ( 13.643 -12.867 12.283) 22.418 4.373 ( 5.101 0.899 -11.136) 12.282 4.537 ( 2.749 -14.340 23.079) 27.310 4.926 ( 9.284 -9.587 -5.926) 14.602 5.183 ( 1.810 2.709 -16.241) 16.565 5.439 ( -11.013 -4.162 8.968) 14.800 5.515 ( 10.726 5.715 -1.223) 12.215 5.919 ( -3.247 7.154 -10.185) 12.863 6.010 ( 5.449 -3.384 14.129) 15.517 6.329 ( -2.746 0.476 1.841) 3.340 6.460 ( -7.054 8.754 7.668) 13.608 6.668 ( -7.494 -0.963 3.899) 8.502 6.762 ( -3.088 2.138 -6.858) 7.819 6.940 ( -1.897 -1.823 -10.860) 11.174 7.060 ( -6.032 4.140 4.645) 8.666 7.453 ( 0.851 7.489 -6.998) 10.285 7.931 ( 5.245 -2.000 -9.918) 11.396 8.370 ( 5.096 3.829 4.923) 8.054 8.479 ( 1.538 -9.180 7.719) 12.092 8.869 ( 0.021 -5.254 4.375) 6.837 9.163 ( -3.026 -7.439 1.755) 8.220 9.257 ( -4.405 -6.476 12.288) 14.571 9.462 ( -1.550 -0.721 5.022) 5.305 9.754 ( 0.033 12.344 11.163) 16.643 9.933 ( -3.842 -0.103 -0.047) 3.844 10.252 ( -9.520 8.227 3.169) 12.975 10.445 ( 6.281 -4.899 2.413) 8.323 10.619 ( -0.332 -10.279 8.334) 13.237 10.972 ( 2.356 2.942 -8.657) 9.442 11.188 ( 9.105 -0.547 -0.473) 9.133 11.416 ( -1.503 -2.696 -7.320) 7.944 11.560 ( 2.727 -0.111 -10.626) 10.971 11.857 ( -4.813 2.689 9.745) 11.197 12.054 ( -3.402 -0.564 9.408) 10.020 12.237 ( -5.600 12.894 8.675) 16.519 12.642 ( 4.565 -3.162 -10.270) 11.675 12.771 ( -0.318 -4.275 -16.506) 17.053 13.304 ( -9.608 5.056 -20.519) 23.215 13.542 ( 1.169 -0.871 -1.026) 1.783 13.574 ( 0.976 -0.237 -3.165) 3.321 20.014 ( -6.808 -1.874 2.725) 7.569 20.147 ( -2.584 -2.820 -2.059) 4.344 20.685 ( 2.877 6.127 8.392) 10.781 21.022 ( 0.831 2.091 4.504) 5.034 21.125 ( 0.798 8.681 -3.052) 9.236 21.346 ( 1.679 -2.226 -7.082) 7.611 21.591 ( -3.324 -1.812 3.390) 5.082 21.764 ( 1.426 2.841 -9.614) 10.126 21.797 ( 0.658 -1.049 3.596) 3.803 22.052 ( -0.757 -4.793 -6.699) 8.272 22.228 ( 0.004 2.960 12.145) 12.501 22.816 ( 0.608 -0.669 -9.035) 9.081 24.552 ( 0.254 -6.087 9.292) 11.111 24.758 ( 1.774 -1.663 -0.941) 2.608 25.046 ( 1.759 -2.054 -0.512) 2.753 25.227 ( 3.778 -2.342 -7.623) 8.825 25.434 ( -1.271 5.150 -0.356) 5.317 25.532 ( -1.906 3.042 -3.738) 5.183 25.994 ( 2.676 1.938 7.995) 8.651 26.416 ( 1.004 3.193 -11.732) 12.200 26.916 ( -1.163 -1.869 9.931) 10.172 27.064 ( 0.177 -0.969 5.964) 6.045 27.244 ( -0.898 -0.182 -2.569) 2.727 27.256 ( -0.970 -0.938 -5.653) 5.811 38.279 ( 0.715 -1.408 0.753) 1.749 38.301 ( 1.565 -0.648 0.453) 1.754 38.352 ( -0.653 -0.983 0.144) 1.189 38.431 ( 0.247 1.849 -2.820) 3.381 38.798 ( 0.385 -0.151 0.680) 0.796 38.831 ( 0.361 -0.289 -0.782) 0.909 51.785 ( -0.371 2.589 1.818) 3.185 51.972 ( -0.235 -2.866 -7.034) 7.599 52.523 ( -5.547 -2.990 8.413) 10.511 53.074 ( -1.183 -2.271 -18.005) 18.186 53.387 ( -1.821 -1.294 5.161) 5.623 53.555 ( -0.238 1.271 -1.752) 2.178 54.278 ( 0.642 5.605 4.394) 7.151 54.406 ( 0.848 3.714 -2.789) 4.721 55.058 ( 0.881 0.054 8.255) 8.302 55.291 ( -2.240 3.550 25.233) 25.580 55.369 ( 0.900 -7.945 -6.189) 10.111 56.076 ( -3.035 4.961 -13.068) 14.304 58.134 ( 2.050 -1.233 0.705) 2.494 58.160 ( 1.704 -2.990 -0.578) 3.490 58.254 ( -1.254 0.384 3.031) 3.302 58.400 ( -1.327 3.124 -3.432) 4.827 60.171 ( -0.110 0.165 0.079) 0.213 60.174 ( -0.078 0.126 -0.097) 0.177 ======================= Grid point 247 (88/124) ======================= q-point: ( 0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 7.863 7.005 28.300) 30.195 4.073 ( 14.133 -12.687 7.370) 20.372 4.363 ( 3.399 -0.563 -6.513) 7.368 4.408 ( 6.699 -8.782 6.563) 12.848 4.726 ( -9.238 -9.352 19.344) 23.388 4.972 ( 6.269 9.683 3.560) 12.072 5.210 ( -0.927 -5.627 -12.231) 13.495 5.459 ( 1.535 -1.445 2.238) 3.074 5.715 ( 19.015 -6.768 -3.202) 20.436 5.785 ( -14.219 -1.202 -6.775) 15.796 6.024 ( -1.459 3.972 16.161) 16.705 6.151 ( 0.875 11.251 5.261) 12.451 6.226 ( -2.326 10.675 -11.820) 16.096 6.573 ( -17.022 4.945 -14.139) 22.674 6.720 ( 3.759 -1.406 3.893) 5.591 6.921 ( -3.851 -1.354 6.724) 7.867 7.033 ( -0.521 -4.727 -10.775) 11.777 7.348 ( -3.977 3.574 -11.019) 12.248 8.087 ( 2.484 -9.778 -2.922) 10.503 8.298 ( 5.081 8.516 17.875) 20.442 8.635 ( -0.246 -5.417 20.576) 21.278 8.952 ( -2.699 -2.831 -7.889) 8.805 9.232 ( 5.335 3.457 3.125) 7.084 9.326 ( 4.286 -11.943 13.584) 18.588 9.501 ( 3.139 15.525 36.810) 40.073 9.585 ( -8.686 -12.770 -11.813) 19.444 9.851 ( -1.918 8.974 -6.942) 11.506 10.065 ( -7.595 -0.137 4.097) 8.631 10.494 ( 0.663 -0.003 -2.676) 2.757 10.851 ( 1.249 -10.156 -2.959) 10.651 10.946 ( 1.631 2.085 -7.390) 7.850 11.293 ( 6.187 -2.075 0.315) 6.533 11.446 ( -1.241 -2.533 -8.802) 9.243 11.584 ( -0.333 -0.659 -6.463) 6.505 11.715 ( -3.339 8.532 13.146) 16.024 12.007 ( 0.222 8.106 5.382) 9.733 12.067 ( -1.912 -2.598 12.585) 12.991 12.689 ( 0.630 -1.056 -4.518) 4.682 12.879 ( 3.048 -4.130 -23.004) 23.570 13.149 ( -5.007 3.823 -23.131) 23.973 13.560 ( 0.396 -0.341 -0.866) 1.011 13.587 ( 0.568 0.005 -0.994) 1.145 20.021 ( -3.423 -5.196 2.144) 6.581 20.182 ( -1.436 -3.700 -3.866) 5.541 20.597 ( 1.275 6.130 5.676) 8.451 20.941 ( 2.309 9.402 -6.328) 11.566 21.054 ( -0.188 -0.337 6.064) 6.076 21.413 ( 3.603 -2.357 -8.540) 9.564 21.559 ( -4.129 0.892 1.497) 4.481 21.711 ( -0.093 3.543 -5.259) 6.342 21.824 ( 0.085 -1.239 6.546) 6.663 22.135 ( -0.171 -5.051 -6.782) 8.458 22.179 ( -0.096 2.474 17.265) 17.441 22.831 ( 0.345 -0.610 -8.324) 8.354 24.663 ( 0.096 -6.259 6.754) 9.209 24.798 ( 0.910 -1.245 -0.759) 1.718 25.104 ( 0.920 -3.061 0.146) 3.200 25.291 ( 2.625 -0.865 -5.947) 6.558 25.327 ( -1.184 5.121 -1.891) 5.586 25.443 ( -2.047 4.821 -5.268) 7.428 25.965 ( 0.721 3.007 7.585) 8.191 26.370 ( 0.200 2.486 -11.374) 11.644 26.942 ( -0.470 -1.907 9.618) 9.817 27.087 ( 0.120 -1.282 5.970) 6.107 27.246 ( -0.025 -0.674 -1.474) 1.622 27.263 ( -0.571 -0.792 -5.349) 5.438 38.309 ( 0.976 0.492 1.263) 1.670 38.318 ( 0.258 -1.387 0.909) 1.679 38.371 ( -0.238 -1.867 -1.327) 2.303 38.394 ( -0.308 2.171 -2.035) 2.992 38.802 ( 0.145 0.035 0.728) 0.743 38.837 ( 0.144 -0.117 -0.840) 0.860 51.738 ( -0.010 2.475 3.466) 4.259 52.018 ( -0.019 -2.441 -10.263) 10.549 52.550 ( -2.394 -4.667 8.844) 10.282 53.117 ( -0.077 -3.395 -19.088) 19.388 53.399 ( -1.178 -1.711 4.664) 5.106 53.533 ( -0.325 0.691 -0.369) 0.848 54.189 ( 0.502 5.306 4.912) 7.248 54.341 ( 0.683 4.613 -3.927) 6.097 55.082 ( 0.592 -1.898 12.031) 12.195 55.208 ( -0.951 4.256 23.923) 24.317 55.523 ( 0.574 -9.002 -8.495) 12.390 55.955 ( -1.316 6.461 -12.538) 14.167 58.167 ( 2.695 1.554 2.097) 3.751 58.222 ( 1.051 -1.352 0.428) 1.765 58.253 ( -0.154 -2.984 -0.371) 3.011 58.324 ( -3.157 2.421 -2.316) 4.604 60.168 ( -0.060 0.084 0.094) 0.140 60.172 ( -0.097 0.015 -0.098) 0.138 ======================= Grid point 248 (89/124) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -0.000 3.095 26.933) 27.110 4.334 ( -0.000 2.657 -5.571) 6.172 4.382 ( 0.000 -8.284 6.370) 10.450 4.510 ( -0.000 5.552 6.047) 8.209 4.744 ( 0.000 -3.505 5.931) 6.889 4.823 ( -0.000 9.354 -0.564) 9.371 5.304 ( -0.000 1.210 18.229) 18.269 5.392 ( -0.000 7.848 7.062) 10.557 5.678 ( -0.000 6.301 -11.877) 13.445 5.852 ( -0.000 9.707 -19.059) 21.389 5.933 ( 0.000 -0.705 13.796) 13.814 6.063 ( 0.000 -14.841 8.292) 17.000 6.314 ( 0.000 -5.800 -12.353) 13.647 6.374 ( 0.000 -4.377 -20.119) 20.590 6.778 ( 0.000 -0.655 6.763) 6.795 6.931 ( 0.000 -2.776 8.733) 9.163 7.128 ( 0.000 -5.450 -14.740) 15.715 7.260 ( -0.000 3.072 -9.242) 9.739 8.070 ( -0.000 13.164 10.116) 16.602 8.334 ( 0.000 -8.714 1.313) 8.812 8.693 ( 0.000 -1.870 27.652) 27.715 8.940 ( -0.000 0.680 -2.528) 2.617 9.235 ( -0.000 14.404 45.014) 47.262 9.290 ( 0.000 -6.850 4.790) 8.359 9.582 ( -0.000 3.373 3.796) 5.078 9.670 ( 0.000 -5.324 -4.745) 7.132 9.723 ( 0.000 -7.632 -18.513) 20.025 10.078 ( 0.000 -3.442 7.262) 8.036 10.495 ( 0.000 -0.223 4.448) 4.453 10.865 ( -0.000 4.271 -29.580) 29.887 11.002 ( 0.000 -2.721 9.726) 10.099 11.283 ( -0.000 11.035 4.718) 12.001 11.483 ( 0.000 -2.385 -10.305) 10.577 11.546 ( 0.000 -2.898 7.617) 8.149 11.654 ( 0.000 -0.765 -2.945) 3.043 11.914 ( -0.000 2.717 -0.842) 2.844 12.110 ( 0.000 -2.318 15.477) 15.649 12.728 ( 0.000 -3.402 -5.322) 6.317 12.924 ( -0.000 0.781 -20.328) 20.343 13.094 ( 0.000 -0.689 -22.140) 22.151 13.565 ( -0.000 0.056 -0.484) 0.487 13.579 ( -0.000 1.159 -0.386) 1.222 20.128 ( 0.000 -8.840 0.672) 8.866 20.248 ( 0.000 -4.546 -4.104) 6.125 20.513 ( -0.000 3.702 3.184) 4.882 20.800 ( -0.000 7.646 -8.880) 11.719 21.068 ( 0.000 -0.440 7.291) 7.305 21.487 ( 0.000 -2.479 -12.170) 12.420 21.497 ( -0.000 2.304 3.034) 3.809 21.647 ( -0.000 3.334 -2.517) 4.177 21.839 ( 0.000 -0.429 8.739) 8.750 22.144 ( -0.000 1.429 22.336) 22.382 22.212 ( 0.000 -3.641 -7.387) 8.236 22.845 ( 0.000 -0.754 -8.113) 8.148 24.751 ( 0.000 -3.211 3.140) 4.491 24.810 ( -0.000 0.471 -0.508) 0.693 25.172 ( 0.000 -4.340 1.355) 4.547 25.210 ( -0.000 6.098 -0.748) 6.144 25.337 ( -0.000 5.597 -6.593) 8.648 25.349 ( 0.000 -3.030 -5.643) 6.405 25.913 ( -0.000 3.207 7.812) 8.445 26.339 ( -0.000 1.331 -12.296) 12.368 26.969 ( 0.000 -1.446 9.116) 9.230 27.102 ( 0.000 -0.342 6.289) 6.298 27.268 ( 0.000 -1.801 -1.108) 2.115 27.270 ( 0.000 -0.433 -5.181) 5.199 38.287 ( -0.000 1.742 1.194) 2.112 38.349 ( -0.000 2.383 -1.580) 2.859 38.351 ( 0.000 -1.672 0.874) 1.887 38.408 ( 0.000 -1.964 -1.673) 2.580 38.800 ( -0.000 0.320 0.771) 0.835 38.838 ( -0.000 0.182 -0.904) 0.922 51.703 ( -0.000 1.433 4.622) 4.839 52.051 ( 0.000 -1.339 -12.841) 12.911 52.632 ( 0.000 -5.970 8.649) 10.510 53.184 ( 0.000 -4.139 -18.842) 19.291 53.420 ( 0.000 -1.339 3.667) 3.904 53.533 ( 0.000 -0.930 0.864) 1.270 54.110 ( -0.000 3.901 5.293) 6.576 54.265 ( -0.000 4.399 -3.869) 5.858 55.127 ( -0.000 4.491 22.428) 22.873 55.132 ( 0.000 -3.480 15.459) 15.846 55.689 ( 0.000 -9.824 -10.376) 14.288 55.828 ( -0.000 7.522 -11.793) 13.988 58.131 ( -0.000 3.046 2.033) 3.662 58.217 ( -0.000 4.692 -1.876) 5.053 58.271 ( 0.000 -2.679 1.535) 3.088 58.350 ( 0.000 -4.786 -1.982) 5.180 60.166 ( -0.000 0.069 0.177) 0.190 60.174 ( 0.000 -0.283 -0.178) 0.334 ======================= Grid point 255 (90/124) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 2.833 -0.000 12.410) 12.729 3.769 ( 10.204 -0.000 9.554) 13.979 3.809 ( 16.982 -0.000 12.417) 21.037 4.135 ( 5.012 -0.000 10.566) 11.695 4.369 ( 8.514 -0.000 19.688) 21.450 4.608 ( 16.383 -0.000 -0.213) 16.385 5.235 ( -17.411 0.000 2.817) 17.638 5.486 ( 11.591 -0.000 -3.426) 12.087 5.562 ( -18.217 0.000 24.606) 30.615 5.955 ( 17.844 -0.000 -4.875) 18.498 6.154 ( 0.140 -0.000 2.121) 2.125 6.264 ( 3.615 -0.000 -5.595) 6.661 6.465 ( -5.240 0.000 -10.476) 11.713 6.734 ( -11.066 0.000 -2.200) 11.283 6.853 ( -6.361 0.000 -2.885) 6.985 6.868 ( -4.568 0.000 -12.172) 13.001 7.140 ( 17.716 -0.000 16.529) 24.229 7.747 ( 2.873 -0.000 -4.746) 5.548 8.111 ( 5.158 -0.000 -13.427) 14.384 8.112 ( 4.197 -0.000 -27.554) 27.872 8.597 ( 5.057 -0.000 -6.349) 8.117 8.629 ( -23.050 0.000 -14.528) 27.246 8.868 ( 4.106 -0.000 25.747) 26.072 9.001 ( -9.708 0.000 35.526) 36.829 9.598 ( -1.056 0.000 -1.536) 1.864 9.832 ( -2.004 0.000 2.086) 2.893 10.058 ( -1.503 0.000 11.226) 11.326 10.208 ( 10.471 -0.000 21.453) 23.872 10.448 ( -5.733 0.000 -3.269) 6.599 10.511 ( -4.061 0.000 -3.660) 5.467 11.062 ( 2.595 -0.000 -5.020) 5.651 11.200 ( 7.979 -0.000 3.140) 8.575 11.339 ( -3.268 0.000 -0.878) 3.384 11.570 ( 4.590 -0.000 -14.238) 14.960 11.911 ( -4.683 0.000 7.703) 9.015 12.043 ( -6.003 0.000 9.820) 11.510 12.505 ( 9.608 -0.000 -23.059) 24.980 12.556 ( -13.022 0.000 15.830) 20.498 12.672 ( 0.177 -0.000 -13.214) 13.215 13.397 ( -10.453 0.000 -14.547) 17.913 13.516 ( 1.410 -0.000 0.169) 1.420 13.580 ( -0.196 0.000 -10.778) 10.779 19.999 ( -6.555 0.000 3.149) 7.272 20.091 ( -1.829 0.000 -0.105) 1.832 20.813 ( 3.072 -0.000 12.261) 12.640 21.038 ( -3.140 0.000 5.154) 6.035 21.288 ( -0.037 0.000 -6.033) 6.033 21.430 ( 2.274 -0.000 13.375) 13.567 21.447 ( -2.287 0.000 -6.755) 7.132 21.756 ( 2.226 -0.000 0.066) 2.227 21.841 ( 1.615 -0.000 -16.935) 17.011 21.958 ( -1.272 0.000 -6.355) 6.481 22.297 ( 0.187 -0.000 6.684) 6.687 22.799 ( 0.729 -0.000 -10.583) 10.608 24.431 ( 0.650 -0.000 12.380) 12.397 24.725 ( 1.702 -0.000 -1.388) 2.197 25.013 ( 2.193 -0.000 -1.239) 2.519 25.168 ( 3.989 -0.000 -7.859) 8.813 25.556 ( -2.096 0.000 -0.804) 2.244 25.564 ( 0.023 -0.000 -0.490) 0.490 26.027 ( 4.288 -0.000 8.950) 9.924 26.487 ( 2.088 -0.000 -12.544) 12.717 26.878 ( -1.627 0.000 10.277) 10.405 27.051 ( -0.360 0.000 5.439) 5.451 27.234 ( -1.115 0.000 -5.534) 5.645 27.238 ( -1.324 0.000 -4.058) 4.269 38.254 ( 0.656 -0.000 0.477) 0.811 38.277 ( 0.488 -0.000 -0.603) 0.775 38.339 ( 0.646 -0.000 2.163) 2.258 38.466 ( 0.710 -0.000 -3.700) 3.767 38.795 ( 0.454 -0.000 0.624) 0.772 38.825 ( 0.425 -0.000 -0.713) 0.830 51.842 ( -0.560 0.000 -0.865) 1.031 51.904 ( -0.540 0.000 -2.886) 2.936 52.469 ( -6.372 0.000 8.517) 10.637 53.032 ( -1.700 0.000 -18.500) 18.578 53.366 ( -1.513 0.000 6.814) 6.980 53.585 ( 0.185 -0.000 -3.027) 3.033 54.409 ( 0.563 -0.000 2.598) 2.659 54.459 ( -0.235 0.000 0.181) 0.297 55.131 ( 0.586 -0.000 0.499) 0.769 55.152 ( 0.924 -0.000 -0.555) 1.078 55.358 ( -3.000 0.000 26.174) 26.346 56.166 ( -3.643 0.000 -13.374) 13.861 58.094 ( 0.281 -0.000 -0.018) 0.282 58.099 ( 0.172 -0.000 -0.225) 0.283 58.273 ( 0.962 -0.000 4.339) 4.444 58.467 ( 0.131 -0.000 -4.450) 4.452 60.176 ( -0.054 0.000 -0.015) 0.056 60.176 ( 0.017 -0.000 -0.024) 0.030 ======================= Grid point 256 (91/124) ======================= q-point: ( 0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.667 ( 2.043 0.523 21.488) 21.591 3.722 ( 4.792 3.004 7.511) 9.402 4.041 ( 14.488 -5.302 16.379) 22.501 4.314 ( 2.238 -11.194 2.239) 11.633 4.449 ( 5.187 -1.986 22.655) 23.326 4.812 ( 5.537 -6.959 0.766) 8.926 5.095 ( -12.061 0.057 7.332) 14.115 5.408 ( -3.031 -3.202 16.640) 17.214 5.597 ( 3.748 -1.666 -4.221) 5.886 6.007 ( -0.640 7.005 -5.246) 8.775 6.156 ( 10.508 4.068 5.741) 12.646 6.321 ( 3.675 0.241 -3.674) 5.202 6.395 ( -5.760 1.505 0.460) 5.971 6.706 ( -3.126 -4.397 -5.772) 7.901 6.740 ( -3.983 4.110 -12.013) 13.306 6.846 ( -4.651 -2.448 -11.205) 12.376 7.194 ( 5.356 11.385 6.744) 14.275 7.660 ( 2.109 11.889 -9.984) 15.668 8.005 ( 2.702 5.722 -16.312) 17.496 8.291 ( 3.411 -9.792 -12.575) 16.299 8.425 ( -9.805 -3.080 -1.861) 10.445 8.796 ( 0.577 -0.510 20.379) 20.394 8.907 ( -0.601 -16.549 -9.123) 18.907 9.044 ( -3.396 -7.763 32.496) 33.583 9.539 ( -1.360 4.991 0.552) 5.203 9.821 ( -1.087 -0.823 3.899) 4.131 9.977 ( -2.859 6.180 21.851) 22.888 10.343 ( -0.254 6.123 -6.835) 9.180 10.383 ( 4.883 -7.460 11.618) 14.645 10.499 ( -2.382 -1.788 -7.267) 7.853 11.058 ( 3.297 4.235 -3.077) 6.187 11.243 ( 2.992 -0.437 -0.807) 3.130 11.356 ( -0.914 -3.450 -1.117) 3.739 11.596 ( 2.211 1.081 -12.790) 13.024 11.854 ( -3.414 1.422 16.413) 16.825 11.996 ( -3.925 -0.613 5.855) 7.076 12.379 ( -4.114 8.526 11.348) 14.778 12.633 ( 5.952 -3.621 -16.750) 18.141 12.699 ( -0.788 -3.251 -16.736) 17.067 13.282 ( -7.155 2.551 -20.361) 21.731 13.536 ( 0.763 -0.900 -0.445) 1.261 13.580 ( 0.442 0.110 -5.797) 5.815 19.948 ( -3.422 -0.086 3.978) 5.248 20.092 ( -0.954 -1.532 -1.545) 2.376 20.799 ( 1.583 4.054 11.024) 11.852 21.017 ( -1.341 -0.452 5.968) 6.134 21.298 ( 0.376 8.630 -0.388) 8.646 21.312 ( 0.351 -1.893 -6.935) 7.197 21.526 ( -0.876 -3.535 6.535) 7.481 21.780 ( 0.927 -0.816 1.980) 2.334 21.832 ( 0.680 2.367 -16.200) 16.386 21.975 ( -0.583 -3.033 -6.496) 7.193 22.277 ( 0.121 2.302 8.097) 8.418 22.810 ( 0.424 -0.578 -10.261) 10.285 24.468 ( 0.252 -3.582 11.749) 12.286 24.747 ( 0.956 -1.046 -1.618) 2.151 25.037 ( 1.138 -0.793 -0.943) 1.677 25.219 ( 2.401 -1.987 -8.826) 9.360 25.500 ( -1.038 3.694 0.305) 3.849 25.559 ( -0.576 1.255 -1.700) 2.190 26.047 ( 1.865 1.346 8.554) 8.858 26.478 ( 0.735 2.588 -11.475) 11.786 26.877 ( -0.784 -1.335 10.393) 10.508 27.052 ( -0.103 -0.447 5.488) 5.508 27.229 ( -0.719 -0.423 -2.817) 2.938 27.234 ( -0.487 -0.621 -6.244) 6.294 38.265 ( 0.326 -0.725 0.560) 0.972 38.293 ( 0.543 -1.286 -0.671) 1.549 38.343 ( 0.032 0.155 2.035) 2.041 38.461 ( 0.269 1.150 -3.292) 3.497 38.799 ( 0.229 -0.113 0.638) 0.687 38.830 ( 0.215 -0.203 -0.726) 0.784 51.820 ( -0.272 1.783 -0.064) 1.805 51.923 ( -0.177 -2.326 -4.651) 5.203 52.437 ( -3.182 -1.758 9.343) 10.025 53.031 ( -0.789 -1.357 -20.009) 20.070 53.359 ( -0.833 -0.496 7.417) 7.480 53.576 ( 0.019 1.068 -2.763) 2.962 54.370 ( 0.247 4.234 3.258) 5.348 54.453 ( 0.168 1.126 -1.258) 1.696 55.084 ( 0.400 2.341 4.043) 4.689 55.248 ( 0.431 -6.640 -3.520) 7.527 55.320 ( -1.355 1.832 25.620) 25.721 56.116 ( -1.784 2.517 -13.312) 13.665 58.115 ( 0.331 -1.713 -0.046) 1.745 58.118 ( 0.336 -2.378 -0.189) 2.409 58.269 ( 0.148 1.228 4.067) 4.251 58.446 ( -0.164 2.411 -3.919) 4.604 60.173 ( -0.045 0.218 0.054) 0.229 60.176 ( -0.002 0.085 -0.087) 0.122 ======================= Grid point 257 (92/124) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( -0.000 8.178 24.453) 25.784 3.896 ( 0.000 -13.502 10.591) 17.160 4.249 ( 0.000 -10.345 14.421) 17.748 4.429 ( 0.000 -0.033 -4.558) 4.558 4.554 ( 0.000 -6.011 21.996) 22.802 4.930 ( 0.000 -6.319 24.729) 25.524 5.080 ( 0.000 -8.267 -16.544) 18.494 5.544 ( 0.000 -2.207 -13.012) 13.198 5.663 ( 0.000 -6.888 11.659) 13.542 5.780 ( -0.000 12.913 -9.160) 15.832 6.145 ( -0.000 5.362 8.600) 10.134 6.295 ( -0.000 2.997 14.676) 14.979 6.326 ( -0.000 5.194 -8.712) 10.142 6.654 ( -0.000 8.079 -23.369) 24.726 6.701 ( 0.000 -0.313 0.138) 0.342 6.918 ( 0.000 -7.151 -12.476) 14.380 6.971 ( -0.000 10.526 9.825) 14.398 7.453 ( -0.000 10.513 -13.114) 16.808 7.987 ( 0.000 -2.300 -9.401) 9.678 8.418 ( -0.000 1.216 3.135) 3.363 8.511 ( 0.000 -9.112 17.815) 20.010 8.828 ( 0.000 -6.904 -0.358) 6.914 9.156 ( 0.000 -8.313 29.389) 30.542 9.247 ( 0.000 -18.706 -15.087) 24.032 9.405 ( -0.000 8.791 -1.140) 8.864 9.783 ( -0.000 13.581 34.498) 37.075 9.860 ( 0.000 -2.967 2.355) 3.788 10.157 ( -0.000 11.727 -8.483) 14.474 10.497 ( 0.000 -0.354 -8.659) 8.666 10.633 ( 0.000 -14.310 8.723) 16.759 11.004 ( -0.000 3.273 -7.092) 7.811 11.286 ( 0.000 -2.053 -1.422) 2.498 11.402 ( 0.000 -2.157 -5.793) 6.181 11.585 ( -0.000 0.813 -10.408) 10.440 11.799 ( -0.000 3.482 18.418) 18.744 12.002 ( 0.000 -2.530 7.852) 8.250 12.187 ( -0.000 11.205 9.159) 14.472 12.683 ( 0.000 -0.420 -4.854) 4.872 12.802 ( 0.000 -6.596 -26.029) 26.852 13.187 ( -0.000 3.909 -22.908) 23.239 13.555 ( 0.000 -0.625 -1.261) 1.407 13.585 ( 0.000 -0.388 -2.362) 2.394 19.945 ( 0.000 -1.823 3.664) 4.092 20.122 ( 0.000 -2.516 -3.095) 3.989 20.715 ( -0.000 6.299 8.495) 10.575 21.029 ( 0.000 -1.331 6.867) 6.994 21.130 ( -0.000 10.326 -3.823) 11.011 21.371 ( 0.000 -3.760 -8.871) 9.635 21.550 ( 0.000 -0.152 5.736) 5.738 21.779 ( -0.000 3.834 -11.459) 12.083 21.803 ( 0.000 -1.241 4.192) 4.372 22.044 ( 0.000 -5.013 -6.808) 8.454 22.229 ( -0.000 3.065 12.260) 12.637 22.823 ( 0.000 -0.609 -9.199) 9.219 24.554 ( 0.000 -5.994 9.985) 11.646 24.777 ( 0.000 -1.654 -1.280) 2.091 25.065 ( 0.000 -1.898 -0.437) 1.948 25.272 ( 0.000 -2.385 -9.165) 9.470 25.416 ( -0.000 5.286 0.301) 5.294 25.511 ( -0.000 3.758 -3.397) 5.066 26.020 ( -0.000 2.641 7.881) 8.312 26.425 ( -0.000 3.535 -10.970) 11.526 26.904 ( 0.000 -2.053 10.133) 10.339 27.065 ( 0.000 -1.129 5.795) 5.904 27.235 ( 0.000 -0.549 -2.023) 2.096 27.246 ( 0.000 -0.903 -5.964) 6.032 38.286 ( 0.000 -1.570 0.786) 1.756 38.329 ( 0.000 -2.239 -1.147) 2.516 38.333 ( -0.000 0.811 1.847) 2.017 38.433 ( -0.000 2.102 -2.703) 3.424 38.802 ( 0.000 -0.105 0.679) 0.687 38.835 ( 0.000 -0.249 -0.774) 0.813 51.781 ( -0.000 2.417 1.698) 2.954 51.970 ( 0.000 -2.951 -7.338) 7.909 52.467 ( 0.000 -3.449 9.400) 10.013 53.062 ( 0.000 -2.640 -20.310) 20.481 53.368 ( 0.000 -1.117 6.688) 6.781 53.552 ( -0.000 1.485 -1.809) 2.341 54.285 ( -0.000 5.435 4.232) 6.889 54.415 ( -0.000 3.392 -3.105) 4.599 55.067 ( 0.000 -0.046 8.176) 8.176 55.269 ( -0.000 3.274 24.933) 25.147 55.378 ( 0.000 -8.028 -6.258) 10.179 56.045 ( -0.000 4.672 -13.005) 13.819 58.160 ( 0.000 -3.089 0.293) 3.103 58.180 ( 0.000 -4.327 -0.579) 4.366 58.235 ( -0.000 2.540 3.497) 4.323 58.385 ( -0.000 4.305 -3.263) 5.402 60.169 ( -0.000 0.176 0.094) 0.199 60.174 ( -0.000 0.184 -0.108) 0.214 ======================= Grid point 268 (93/124) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( 0.000 -0.000 18.523) 18.523 3.839 ( 0.000 -0.000 6.761) 6.761 4.092 ( 0.000 -0.000 18.232) 18.232 4.193 ( 0.000 -0.000 3.208) 3.208 4.455 ( 0.000 -0.000 31.545) 31.545 4.781 ( 0.000 -0.000 -10.362) 10.362 5.076 ( -0.000 0.000 22.609) 22.609 5.285 ( 0.000 -0.000 31.409) 31.409 5.609 ( 0.000 -0.000 -13.694) 13.694 6.070 ( 0.000 -0.000 -4.092) 4.092 6.222 ( 0.000 -0.000 15.286) 15.286 6.363 ( 0.000 -0.000 -6.491) 6.491 6.523 ( 0.000 -0.000 -4.178) 4.178 6.547 ( -0.000 0.000 -8.429) 8.429 6.693 ( 0.000 -0.000 -21.987) 21.987 6.831 ( 0.000 -0.000 -10.844) 10.844 7.397 ( 0.000 -0.000 5.910) 5.910 7.773 ( 0.000 -0.000 -6.628) 6.628 8.149 ( 0.000 -0.000 -23.712) 23.712 8.153 ( 0.000 -0.000 -20.815) 20.815 8.310 ( 0.000 -0.000 -1.718) 1.718 8.675 ( 0.000 -0.000 -14.797) 14.797 8.893 ( 0.000 -0.000 39.301) 39.301 8.915 ( 0.000 -0.000 27.666) 27.666 9.574 ( 0.000 -0.000 1.285) 1.285 9.805 ( 0.000 -0.000 4.838) 4.838 10.015 ( 0.000 -0.000 21.993) 21.993 10.325 ( 0.000 -0.000 17.486) 17.486 10.424 ( 0.000 -0.000 -14.545) 14.545 10.469 ( 0.000 -0.000 -11.103) 11.103 11.146 ( 0.000 -0.000 0.183) 0.183 11.243 ( 0.000 -0.000 -1.652) 1.652 11.297 ( 0.000 -0.000 2.763) 2.763 11.621 ( 0.000 -0.000 -13.592) 13.592 11.844 ( 0.000 -0.000 21.685) 21.685 11.974 ( 0.000 -0.000 1.610) 1.610 12.435 ( 0.000 -0.000 14.221) 14.221 12.644 ( -0.000 0.000 -29.459) 29.459 12.651 ( 0.000 -0.000 -8.712) 8.712 13.266 ( 0.000 -0.000 -20.410) 20.410 13.531 ( 0.000 -0.000 -0.104) 0.104 13.584 ( 0.000 -0.000 -6.850) 6.850 19.932 ( 0.000 -0.000 4.400) 4.400 20.074 ( 0.000 -0.000 -1.238) 1.238 20.844 ( 0.000 -0.000 12.038) 12.038 21.004 ( 0.000 -0.000 5.825) 5.825 21.289 ( 0.000 -0.000 -7.033) 7.033 21.420 ( 0.000 -0.000 -4.775) 4.775 21.453 ( 0.000 -0.000 13.923) 13.923 21.778 ( 0.000 -0.000 1.902) 1.902 21.857 ( 0.000 -0.000 -18.980) 18.980 21.944 ( 0.000 -0.000 -6.324) 6.324 22.299 ( 0.000 -0.000 6.443) 6.443 22.807 ( 0.000 -0.000 -10.878) 10.878 24.438 ( 0.000 -0.000 12.442) 12.442 24.743 ( 0.000 -0.000 -1.940) 1.940 25.037 ( 0.000 -0.000 -1.146) 1.146 25.212 ( 0.000 -0.000 -9.074) 9.074 25.531 ( 0.000 -0.000 0.460) 0.460 25.564 ( 0.000 -0.000 -0.670) 0.670 26.069 ( 0.000 -0.000 8.854) 8.854 26.506 ( 0.000 -0.000 -11.399) 11.399 26.861 ( 0.000 -0.000 10.581) 10.581 27.047 ( 0.000 -0.000 5.221) 5.221 27.221 ( 0.000 -0.000 -2.929) 2.929 27.226 ( 0.000 -0.000 -6.457) 6.457 38.261 ( 0.000 -0.000 0.396) 0.396 38.282 ( 0.000 -0.000 -0.598) 0.598 38.346 ( 0.000 -0.000 2.331) 2.331 38.472 ( 0.000 -0.000 -3.442) 3.442 38.799 ( 0.000 -0.000 0.620) 0.620 38.829 ( 0.000 -0.000 -0.705) 0.705 51.836 ( 0.000 -0.000 -1.173) 1.173 51.899 ( 0.000 -0.000 -3.530) 3.530 52.405 ( 0.000 -0.000 9.750) 9.750 53.015 ( 0.000 -0.000 -20.659) 20.659 53.351 ( 0.000 -0.000 8.184) 8.184 53.586 ( 0.000 -0.000 -3.120) 3.120 54.415 ( 0.000 -0.000 2.240) 2.240 54.457 ( 0.000 -0.000 0.104) 0.104 55.137 ( 0.000 -0.000 0.531) 0.531 55.161 ( 0.000 -0.000 -0.700) 0.700 55.329 ( 0.000 -0.000 25.706) 25.706 56.129 ( 0.000 -0.000 -13.409) 13.409 58.097 ( 0.000 -0.000 -0.044) 0.044 58.100 ( 0.000 -0.000 -0.200) 0.200 58.282 ( 0.000 -0.000 4.304) 4.304 58.467 ( 0.000 -0.000 -4.060) 4.060 60.176 ( 0.000 -0.000 0.001) 0.001 60.177 ( 0.000 -0.000 -0.042) 0.042 ======================= Grid point 315 (94/124) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 0.000 0.000 -27.859) 27.859 2.743 ( 0.000 0.000 27.859) 27.859 3.352 ( 0.000 0.000 -45.499) 45.499 3.352 ( 0.000 0.000 45.499) 45.499 4.211 ( 0.000 0.000 -25.085) 25.085 4.211 ( 0.000 0.000 25.085) 25.085 5.451 ( 0.000 0.000 -78.144) 78.144 5.451 ( 0.000 0.000 78.144) 78.144 5.703 ( 0.000 0.000 -5.119) 5.119 5.703 ( 0.000 0.000 5.119) 5.119 6.231 ( 0.000 0.000 -4.649) 4.649 6.231 ( 0.000 0.000 4.649) 4.649 6.605 ( 0.000 0.000 -32.489) 32.489 6.605 ( 0.000 0.000 32.489) 32.489 6.702 ( 0.000 0.000 -19.498) 19.498 6.702 ( 0.000 0.000 19.498) 19.498 7.509 ( 0.000 0.000 -13.230) 13.230 7.509 ( 0.000 0.000 13.230) 13.230 8.205 ( 0.000 0.000 -0.869) 0.869 8.205 ( 0.000 0.000 0.869) 0.869 8.254 ( 0.000 0.000 -7.574) 7.574 8.254 ( 0.000 0.000 7.574) 7.574 8.711 ( 0.000 0.000 -5.688) 5.688 8.711 ( 0.000 0.000 5.688) 5.688 9.654 ( 0.000 0.000 -1.919) 1.919 9.654 ( 0.000 0.000 1.919) 1.919 9.736 ( 0.000 0.000 -2.795) 2.795 9.736 ( 0.000 0.000 2.795) 2.795 10.646 ( 0.000 0.000 -20.409) 20.409 10.646 ( 0.000 0.000 20.409) 20.409 11.016 ( 0.000 0.000 -12.859) 12.859 11.016 ( 0.000 0.000 12.859) 12.859 12.381 ( 0.000 0.000 -5.602) 5.602 12.381 ( 0.000 0.000 5.602) 5.602 12.412 ( 0.000 0.000 -5.137) 5.137 12.412 ( 0.000 0.000 5.137) 5.137 12.518 ( 0.000 0.000 -17.036) 17.036 12.518 ( 0.000 0.000 17.036) 17.036 13.329 ( 0.000 0.000 -2.932) 2.932 13.329 ( 0.000 0.000 2.932) 2.932 14.035 ( 0.000 0.000 -2.010) 2.010 14.035 ( 0.000 0.000 2.010) 2.010 20.452 ( 0.000 0.000 -7.849) 7.849 20.452 ( 0.000 0.000 7.849) 7.849 20.912 ( 0.000 0.000 -19.950) 19.950 20.912 ( 0.000 0.000 19.950) 19.950 21.120 ( 0.000 0.000 -3.155) 3.155 21.120 ( 0.000 0.000 3.155) 3.155 21.280 ( 0.000 0.000 -2.689) 2.689 21.280 ( 0.000 0.000 2.689) 2.689 21.897 ( 0.000 0.000 -7.995) 7.995 21.897 ( 0.000 0.000 7.995) 7.995 22.596 ( 0.000 0.000 -12.656) 12.656 22.596 ( 0.000 0.000 12.656) 12.656 24.608 ( 0.000 0.000 -10.939) 10.939 24.608 ( 0.000 0.000 10.939) 10.939 24.956 ( 0.000 0.000 -3.240) 3.240 24.956 ( 0.000 0.000 3.240) 3.240 25.343 ( 0.000 0.000 -0.613) 0.613 25.343 ( 0.000 0.000 0.613) 0.613 25.569 ( 0.000 0.000 -2.864) 2.864 25.569 ( 0.000 0.000 2.864) 2.864 27.195 ( 0.000 0.000 -7.311) 7.311 27.195 ( 0.000 0.000 7.311) 7.311 27.233 ( 0.000 0.000 -8.383) 8.383 27.233 ( 0.000 0.000 8.383) 8.383 38.223 ( 0.000 0.000 -0.045) 0.045 38.223 ( 0.000 0.000 0.045) 0.045 38.236 ( 0.000 0.000 -0.470) 0.470 38.236 ( 0.000 0.000 0.470) 0.470 38.766 ( 0.000 0.000 -0.861) 0.861 38.766 ( 0.000 0.000 0.861) 0.861 51.982 ( 0.000 0.000 -0.367) 0.367 51.982 ( 0.000 0.000 0.367) 0.367 53.314 ( 0.000 0.000 -0.246) 0.246 53.314 ( 0.000 0.000 0.246) 0.246 53.427 ( 0.000 0.000 -2.405) 2.405 53.427 ( 0.000 0.000 2.405) 2.405 54.533 ( 0.000 0.000 -6.985) 6.985 54.533 ( 0.000 0.000 6.985) 6.985 55.073 ( 0.000 0.000 -0.059) 0.059 55.073 ( 0.000 0.000 0.059) 0.059 56.515 ( 0.000 0.000 -6.492) 6.492 56.515 ( 0.000 0.000 6.492) 6.492 58.038 ( 0.000 0.000 -0.016) 0.016 58.038 ( 0.000 0.000 0.016) 0.016 58.090 ( 0.000 0.000 -0.218) 0.218 58.090 ( 0.000 0.000 0.218) 0.218 60.176 ( 0.000 0.000 -0.153) 0.153 60.176 ( 0.000 0.000 0.153) 0.153 ======================= Grid point 317 (95/124) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 6.652 -13.691 -27.104) 31.086 2.910 ( 6.652 -13.691 27.104) 31.086 3.403 ( 3.949 -4.409 -42.803) 43.211 3.403 ( 3.949 -4.409 42.803) 43.211 4.117 ( -12.715 2.147 -24.723) 27.884 4.117 ( -12.715 2.147 24.723) 27.884 5.561 ( 2.722 3.503 -30.967) 31.283 5.561 ( 2.722 3.503 30.967) 31.283 5.649 ( 11.476 -0.335 -38.017) 39.712 5.649 ( 11.476 -0.335 38.017) 39.712 6.279 ( -4.620 -7.527 -5.611) 10.463 6.279 ( -4.620 -7.527 5.611) 10.463 6.653 ( -1.010 -1.937 -19.739) 19.860 6.653 ( -1.010 -1.937 19.739) 19.860 6.757 ( 5.787 -5.265 -7.023) 10.514 6.757 ( 5.787 -5.265 7.023) 10.514 7.431 ( -1.582 5.542 -14.137) 15.267 7.431 ( -1.582 5.542 14.137) 15.267 8.067 ( -13.918 0.762 -5.696) 15.058 8.067 ( -13.918 0.762 5.696) 15.058 8.485 ( 11.650 -10.928 -12.527) 20.299 8.485 ( 11.650 -10.928 12.527) 20.299 8.802 ( 5.843 -6.427 -6.568) 10.890 8.802 ( 5.843 -6.427 6.568) 10.890 9.662 ( -2.478 -1.423 -7.446) 7.975 9.662 ( -2.478 -1.423 7.446) 7.975 9.762 ( 6.571 -0.053 -4.895) 8.194 9.762 ( 6.571 -0.053 4.895) 8.194 10.675 ( 2.917 -1.717 -22.294) 22.549 10.675 ( 2.917 -1.717 22.294) 22.549 11.010 ( -0.093 0.451 -14.682) 14.689 11.010 ( -0.093 0.451 14.682) 14.689 12.203 ( -11.818 21.439 -10.830) 26.769 12.203 ( -11.818 21.439 10.830) 26.769 12.358 ( -4.667 1.258 -5.786) 7.539 12.358 ( -4.667 1.258 5.786) 7.539 12.412 ( -0.123 3.436 -5.743) 6.693 12.412 ( -0.123 3.436 5.743) 6.693 13.347 ( 0.918 -1.363 -4.209) 4.518 13.347 ( 0.918 -1.363 4.209) 4.518 13.927 ( -4.609 9.054 -4.475) 11.101 13.927 ( -4.609 9.054 4.475) 11.101 20.458 ( 3.532 1.764 -8.322) 9.211 20.458 ( 3.532 1.764 8.322) 9.211 20.905 ( -10.258 -2.671 -10.510) 14.927 20.905 ( -10.258 -2.671 10.510) 14.927 21.116 ( 7.251 3.126 -1.936) 8.130 21.116 ( 7.251 3.126 1.936) 8.130 21.343 ( 2.875 -5.263 -4.148) 7.292 21.343 ( 2.875 -5.263 4.148) 7.292 21.906 ( -0.379 -1.313 -8.789) 8.894 21.906 ( -0.379 -1.313 8.789) 8.894 22.593 ( -0.750 -0.049 -13.689) 13.709 22.593 ( -0.750 -0.049 13.689) 13.709 24.600 ( -0.114 0.172 -9.605) 9.607 24.600 ( -0.114 0.172 9.605) 9.607 24.948 ( -1.960 -1.177 -2.618) 3.476 24.948 ( -1.960 -1.177 2.618) 3.476 25.471 ( 6.679 -5.229 -2.470) 8.835 25.471 ( 6.679 -5.229 2.470) 8.835 25.595 ( 2.436 -4.242 -2.601) 5.540 25.595 ( 2.436 -4.242 2.601) 5.540 27.189 ( -0.551 0.394 -7.294) 7.326 27.189 ( -0.551 0.394 7.294) 7.326 27.229 ( -0.434 0.172 -8.300) 8.313 27.229 ( -0.434 0.172 8.300) 8.313 38.224 ( 0.097 -0.216 -0.235) 0.334 38.224 ( 0.097 -0.216 0.235) 0.334 38.266 ( 1.258 -2.265 -0.423) 2.625 38.266 ( 1.258 -2.265 0.423) 2.625 38.770 ( 0.220 -0.330 -0.894) 0.978 38.770 ( 0.220 -0.330 0.894) 0.978 51.962 ( -0.775 1.688 -1.429) 2.343 51.962 ( -0.775 1.688 1.429) 2.343 53.262 ( -5.730 1.795 -3.509) 6.954 53.262 ( -5.730 1.795 3.509) 6.954 53.452 ( 2.377 -0.793 -1.799) 3.085 53.452 ( 2.377 -0.793 1.799) 3.085 54.479 ( -0.918 5.329 -5.856) 7.971 54.479 ( -0.918 5.329 5.856) 7.971 55.092 ( 0.421 -1.997 -4.297) 4.757 55.092 ( 0.421 -1.997 4.297) 4.757 56.362 ( -5.987 11.681 -12.317) 18.000 56.362 ( -5.987 11.681 12.317) 18.000 58.044 ( 1.186 0.483 -0.125) 1.287 58.044 ( 1.186 0.483 0.125) 1.287 58.170 ( 2.318 -6.488 -2.536) 7.341 58.170 ( 2.318 -6.488 2.536) 7.341 60.176 ( 0.007 -0.039 -0.258) 0.261 60.176 ( 0.007 -0.039 0.258) 0.261 ======================= Grid point 319 (96/124) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 2.948 -15.044 -23.503) 28.061 3.234 ( 2.948 -15.044 23.503) 28.061 3.603 ( 0.801 -11.923 -28.464) 30.871 3.603 ( 0.801 -11.923 28.464) 30.871 3.975 ( -4.043 -2.003 -16.357) 16.968 3.975 ( -4.043 -2.003 16.357) 16.968 5.356 ( 2.592 15.246 -6.547) 16.793 5.356 ( 2.592 15.246 6.547) 16.793 5.885 ( 5.092 -6.923 -26.740) 28.087 5.885 ( 5.092 -6.923 26.740) 28.087 6.439 ( 1.864 -14.179 -13.069) 19.373 6.439 ( 1.864 -14.179 13.069) 19.373 6.613 ( -0.601 4.555 -14.244) 14.966 6.613 ( -0.601 4.555 14.244) 14.966 6.905 ( 0.657 -4.084 -5.233) 6.671 6.905 ( 0.657 -4.084 5.233) 6.671 7.354 ( 3.639 3.895 -13.356) 14.380 7.354 ( 3.639 3.895 13.356) 14.380 7.937 ( -11.423 -0.985 -7.286) 13.584 7.937 ( -11.423 -0.985 7.286) 13.584 8.764 ( 5.690 -9.363 -5.441) 12.233 8.764 ( 5.690 -9.363 5.441) 12.233 9.014 ( 7.354 -8.988 -5.294) 12.763 9.014 ( 7.354 -8.988 5.294) 12.763 9.651 ( -0.085 0.103 -7.270) 7.271 9.651 ( -0.085 0.103 7.270) 7.271 9.866 ( 7.942 -2.725 -13.133) 15.588 9.866 ( 7.942 -2.725 13.133) 15.588 10.767 ( 5.126 -4.588 -25.080) 26.007 10.767 ( 5.126 -4.588 25.080) 26.007 11.012 ( -0.038 -1.127 -18.317) 18.352 11.012 ( -0.038 -1.127 18.317) 18.352 11.614 ( -15.375 26.336 -10.350) 32.204 11.614 ( -15.375 26.336 10.350) 32.204 12.250 ( -4.421 5.153 -2.221) 7.144 12.250 ( -4.421 5.153 2.221) 7.144 12.383 ( -0.681 0.401 -6.718) 6.764 12.383 ( -0.681 0.401 6.718) 6.764 13.372 ( 0.416 0.855 -7.301) 7.362 13.372 ( 0.416 0.855 7.301) 7.362 13.675 ( -6.338 11.723 -5.398) 14.378 13.675 ( -6.338 11.723 5.398) 14.378 20.454 ( 3.307 2.677 -8.271) 9.302 20.454 ( 3.307 2.677 8.271) 9.302 20.792 ( -9.373 3.225 -0.800) 9.945 20.792 ( -9.373 3.225 0.800) 9.945 21.130 ( 0.814 0.850 -9.356) 9.430 21.130 ( 0.814 0.850 9.356) 9.430 21.493 ( 6.899 -5.068 -3.399) 9.210 21.493 ( 6.899 -5.068 3.399) 9.210 21.937 ( -0.556 -2.913 -10.265) 10.685 21.937 ( -0.556 -2.913 10.265) 10.685 22.585 ( -1.111 -0.155 -15.707) 15.747 22.585 ( -1.111 -0.155 15.707) 15.747 24.617 ( 0.549 -1.912 -6.688) 6.978 24.617 ( 0.549 -1.912 6.688) 6.978 24.970 ( 0.063 -2.356 -2.968) 3.790 24.970 ( 0.063 -2.356 2.968) 3.790 25.515 ( 0.344 1.238 -4.917) 5.083 25.515 ( 0.344 1.238 4.917) 5.083 25.800 ( 7.709 -8.612 -11.249) 16.129 25.800 ( 7.709 -8.612 11.249) 16.129 27.175 ( -0.651 0.359 -7.136) 7.174 27.175 ( -0.651 0.359 7.136) 7.174 27.221 ( -0.781 -0.044 -7.961) 7.999 27.221 ( -0.781 -0.044 7.961) 7.999 38.233 ( 0.528 -0.484 -0.649) 0.967 38.233 ( 0.528 -0.484 0.649) 0.967 38.324 ( 1.166 -2.687 -1.518) 3.299 38.324 ( 1.166 -2.687 1.518) 3.299 38.781 ( 0.378 -0.544 -0.961) 1.167 38.781 ( 0.378 -0.544 0.961) 1.167 51.916 ( -1.023 2.391 -3.720) 4.539 51.916 ( -1.023 2.391 3.720) 4.539 53.159 ( -6.739 2.527 -6.107) 9.439 53.159 ( -6.739 2.527 6.107) 9.439 53.489 ( 1.611 -1.060 -1.828) 2.658 53.489 ( 1.611 -1.060 1.828) 2.658 54.354 ( -0.789 7.344 -3.609) 8.221 54.354 ( -0.789 7.344 3.609) 8.221 55.149 ( 0.913 -3.788 -8.120) 9.006 55.149 ( 0.913 -3.788 8.120) 9.006 56.085 ( -5.756 12.107 -18.585) 22.916 56.085 ( -5.756 12.107 18.585) 22.916 58.048 ( 0.873 0.162 -0.358) 0.957 58.048 ( 0.873 0.162 0.358) 0.957 58.298 ( 1.862 -4.927 -4.692) 7.054 58.298 ( 1.862 -4.927 4.692) 7.054 60.177 ( -0.010 -0.027 -0.374) 0.375 60.177 ( -0.010 -0.027 0.374) 0.375 ======================= Grid point 321 (97/124) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( -6.440 -2.807 -11.595) 13.558 3.414 ( -6.440 -2.807 11.595) 13.558 3.641 ( -8.832 -9.490 -19.849) 23.708 3.641 ( -8.832 -9.490 19.849) 23.708 4.316 ( 14.710 -20.906 -6.553) 26.389 4.316 ( 14.710 -20.906 6.553) 26.389 5.166 ( 5.244 9.051 -4.151) 11.254 5.166 ( 5.244 9.051 4.151) 11.254 5.946 ( -5.340 -2.096 -2.597) 6.297 5.946 ( -5.340 -2.096 2.597) 6.297 6.491 ( -1.776 6.766 -9.334) 11.664 6.491 ( -1.776 6.766 9.334) 11.664 6.733 ( 9.971 -5.346 -18.060) 21.311 6.733 ( 9.971 -5.346 18.060) 21.311 6.895 ( -5.384 0.111 -8.799) 10.316 6.895 ( -5.384 0.111 8.799) 10.316 7.381 ( 8.987 -0.845 -14.253) 16.871 7.381 ( 8.987 -0.845 14.253) 16.871 7.873 ( -9.246 -2.991 -11.484) 15.043 7.873 ( -9.246 -2.991 11.484) 15.043 8.892 ( 1.155 -1.875 -8.994) 9.260 8.892 ( 1.155 -1.875 8.994) 9.260 9.194 ( 2.555 -5.518 -21.388) 22.236 9.194 ( 2.555 -5.518 21.388) 22.236 9.690 ( 3.055 -2.670 -9.400) 10.238 9.690 ( 3.055 -2.670 9.400) 10.238 9.971 ( 5.505 -0.329 -16.517) 17.413 9.971 ( 5.505 -0.329 16.517) 17.413 10.921 ( 1.702 -1.606 -14.548) 14.735 10.921 ( 1.702 -1.606 14.548) 14.735 10.993 ( -3.149 3.369 -13.610) 14.370 10.993 ( -3.149 3.369 13.610) 14.370 11.178 ( -1.415 3.517 -14.927) 15.401 11.178 ( -1.415 3.517 14.927) 15.401 12.108 ( -3.009 6.998 -1.995) 7.874 12.108 ( -3.009 6.998 1.995) 7.874 12.381 ( -1.369 -1.529 -10.697) 10.892 12.381 ( -1.369 -1.529 10.697) 10.892 13.218 ( -5.833 13.226 -14.464) 20.449 13.218 ( -5.833 13.226 14.464) 20.449 13.530 ( -0.756 0.578 -1.301) 1.612 13.530 ( -0.756 0.578 1.301) 1.612 20.436 ( 1.867 2.310 -7.863) 8.405 20.436 ( 1.867 2.310 7.863) 8.405 20.640 ( -6.743 4.416 -1.872) 8.275 20.640 ( -6.743 4.416 1.872) 8.275 21.105 ( -1.426 1.349 -11.236) 11.406 21.105 ( -1.426 1.349 11.236) 11.406 21.618 ( 5.188 -2.106 -3.749) 6.739 21.618 ( 5.188 -2.106 3.749) 6.739 21.991 ( -0.321 -3.524 -10.769) 11.336 21.991 ( -0.321 -3.524 10.769) 11.336 22.578 ( -0.961 -0.244 -17.192) 17.221 22.578 ( -0.961 -0.244 17.192) 17.221 24.672 ( 1.074 -3.178 -3.829) 5.090 24.672 ( 1.074 -3.178 3.829) 5.090 25.026 ( 1.570 -3.015 -3.553) 4.918 25.026 ( 1.570 -3.015 3.553) 4.918 25.473 ( -1.000 3.093 -4.799) 5.796 25.473 ( -1.000 3.093 4.799) 5.796 25.974 ( 4.747 -4.142 -12.126) 13.665 25.974 ( 4.747 -4.142 12.126) 13.665 27.166 ( -0.343 0.086 -7.120) 7.128 27.166 ( -0.343 0.086 7.120) 7.128 27.217 ( -0.865 -0.381 -7.203) 7.265 27.217 ( -0.865 -0.381 7.203) 7.265 38.251 ( 0.883 -0.768 -0.927) 1.493 38.251 ( 0.883 -0.768 0.927) 1.493 38.371 ( 0.370 -1.674 -1.841) 2.515 38.371 ( 0.370 -1.674 1.841) 2.515 38.795 ( 0.412 -0.568 -1.000) 1.221 38.795 ( 0.412 -0.568 1.000) 1.221 51.868 ( -0.734 1.979 -6.393) 6.732 51.868 ( -0.734 1.979 6.393) 6.732 53.054 ( -5.526 2.346 -7.880) 9.906 53.054 ( -5.526 2.346 7.880) 9.906 53.519 ( 0.679 -1.003 -1.765) 2.141 53.519 ( 0.679 -1.003 1.765) 2.141 54.231 ( -0.113 5.999 -2.641) 6.556 54.231 ( -0.113 5.999 2.641) 6.556 55.239 ( 1.388 -5.215 -11.323) 12.543 55.239 ( 1.388 -5.215 11.323) 12.543 55.847 ( -4.152 9.821 -19.787) 22.477 55.847 ( -4.152 9.821 19.787) 22.477 58.058 ( 0.906 -0.303 -0.465) 1.062 58.058 ( 0.906 -0.303 0.465) 1.062 58.368 ( 0.412 -2.108 -4.204) 4.721 58.368 ( 0.412 -2.108 4.204) 4.721 60.177 ( -0.034 0.014 -0.403) 0.404 60.177 ( -0.034 0.014 0.403) 0.404 ======================= Grid point 323 (98/124) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( -8.084 3.063 -16.658) 18.767 3.288 ( -8.084 3.063 16.658) 18.767 3.816 ( -1.250 -11.014 -9.336) 14.493 3.816 ( -1.250 -11.014 9.336) 14.493 4.660 ( 1.724 -5.730 -10.831) 12.374 4.660 ( 1.724 -5.730 10.831) 12.374 5.280 ( 15.512 -11.450 -9.553) 21.517 5.280 ( 15.512 -11.450 9.553) 21.517 5.904 ( -6.071 -0.683 -6.081) 8.620 5.904 ( -6.071 -0.683 6.081) 8.620 6.329 ( -3.438 9.461 -3.032) 10.513 6.329 ( -3.438 9.461 3.032) 10.513 6.691 ( -0.438 8.212 -7.520) 11.144 6.691 ( -0.438 8.212 7.520) 11.144 6.904 ( -1.329 -1.529 -6.496) 6.804 6.904 ( -1.329 -1.529 6.496) 6.804 7.522 ( 9.107 -0.718 -8.317) 12.354 7.522 ( 9.107 -0.718 8.317) 12.354 7.876 ( -3.207 -5.710 -18.744) 19.855 7.876 ( -3.207 -5.710 18.744) 19.855 8.906 ( -1.535 -1.615 -10.254) 10.493 8.906 ( -1.535 -1.615 10.254) 10.493 9.261 ( 0.100 -0.883 -24.132) 24.148 9.261 ( 0.100 -0.883 24.132) 24.148 9.767 ( 3.187 -1.843 -23.083) 23.375 9.767 ( 3.187 -1.843 23.083) 23.375 9.969 ( -0.868 2.482 -9.634) 9.986 9.969 ( -0.868 2.482 9.634) 9.986 10.679 ( -3.864 9.457 -14.907) 18.072 10.679 ( -3.864 9.457 14.907) 18.072 11.180 ( 4.234 -9.598 -11.001) 15.201 11.180 ( 4.234 -9.598 11.001) 15.201 11.276 ( 4.001 -6.928 -7.623) 11.051 11.276 ( 4.001 -6.928 7.623) 11.051 11.941 ( -2.545 9.219 -3.923) 10.337 11.941 ( -2.545 9.219 3.923) 10.337 12.406 ( -1.007 -2.422 -14.399) 14.636 12.406 ( -1.007 -2.422 14.399) 14.636 12.943 ( -4.818 10.010 -12.344) 16.607 12.943 ( -4.818 10.010 12.344) 16.607 13.540 ( 0.341 -0.776 -1.563) 1.778 13.540 ( 0.341 -0.776 1.563) 1.778 20.414 ( 0.197 1.313 -7.477) 7.594 20.414 ( 0.197 1.313 7.477) 7.594 20.524 ( -3.116 2.883 -2.545) 4.949 20.524 ( -3.116 2.883 2.545) 4.949 21.068 ( -1.081 1.107 -11.491) 11.595 21.068 ( -1.081 1.107 11.491) 11.595 21.675 ( 2.425 -0.490 -4.624) 5.244 21.675 ( 2.425 -0.490 4.624) 5.244 22.040 ( -0.157 -2.137 -10.462) 10.679 22.040 ( -0.157 -2.137 10.462) 10.679 22.575 ( -0.497 -0.204 -17.713) 17.722 22.575 ( -0.497 -0.204 17.713) 17.722 24.735 ( 0.930 -2.541 -1.665) 3.177 24.735 ( 0.930 -2.541 1.665) 3.177 25.100 ( 1.924 -3.238 -3.605) 5.214 25.100 ( 1.924 -3.238 3.605) 5.214 25.395 ( -1.608 3.994 -4.736) 6.401 25.395 ( -1.608 3.994 4.736) 6.401 26.049 ( 1.915 -1.218 -11.626) 11.846 26.049 ( 1.915 -1.218 11.626) 11.846 27.164 ( -0.062 -0.061 -7.105) 7.105 27.164 ( -0.062 -0.061 7.105) 7.105 27.216 ( -0.583 -0.321 -5.544) 5.584 27.216 ( -0.583 -0.321 5.544) 5.584 38.274 ( 0.827 -0.718 -1.003) 1.485 38.274 ( 0.827 -0.718 1.003) 1.485 38.389 ( -0.219 -0.521 -1.667) 1.760 38.389 ( -0.219 -0.521 1.667) 1.760 38.807 ( 0.275 -0.368 -0.997) 1.098 38.807 ( 0.275 -0.368 0.997) 1.098 51.837 ( -0.309 1.023 -8.443) 8.511 51.837 ( -0.309 1.023 8.443) 8.511 52.977 ( -3.048 1.402 -8.913) 9.524 52.977 ( -3.048 1.402 8.913) 9.524 53.536 ( 0.135 -0.589 -1.508) 1.624 53.536 ( 0.135 -0.589 1.508) 1.624 54.152 ( 0.188 3.176 -2.895) 4.302 54.152 ( 0.188 3.176 2.895) 4.302 55.355 ( 1.831 -6.283 -14.044) 15.494 55.355 ( 1.831 -6.283 14.044) 15.494 55.657 ( -3.032 8.219 -18.497) 20.467 55.657 ( -3.032 8.219 18.497) 20.467 58.073 ( 0.710 -0.432 -0.457) 0.948 58.073 ( 0.710 -0.432 0.457) 0.948 58.389 ( -0.247 -0.480 -2.879) 2.929 58.389 ( -0.247 -0.480 2.879) 2.929 60.176 ( -0.032 0.028 -0.369) 0.371 60.176 ( -0.032 0.028 0.369) 0.371 ======================= Grid point 325 (99/124) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 0.000 -0.000 -18.193) 18.193 3.217 ( 0.000 -0.000 18.193) 18.193 3.913 ( 0.000 -0.000 -0.471) 0.471 3.913 ( 0.000 -0.000 0.471) 0.471 4.688 ( 0.000 -0.000 -13.491) 13.491 4.688 ( 0.000 -0.000 13.491) 13.491 5.566 ( 0.000 -0.000 -13.270) 13.270 5.566 ( 0.000 -0.000 13.270) 13.270 5.873 ( 0.000 -0.000 -8.887) 8.887 5.873 ( -0.000 -0.000 8.887) 8.887 6.166 ( 0.000 -0.000 -3.615) 3.615 6.166 ( 0.000 -0.000 3.615) 3.615 6.606 ( 0.000 -0.000 -10.375) 10.375 6.606 ( 0.000 -0.000 10.375) 10.375 6.904 ( 0.000 -0.000 -8.951) 8.951 6.904 ( 0.000 -0.000 8.951) 8.951 7.557 ( 0.000 -0.000 -4.244) 4.244 7.557 ( 0.000 -0.000 4.244) 4.244 7.938 ( 0.000 -0.000 -1.798) 1.798 7.938 ( 0.000 -0.000 1.798) 1.798 8.922 ( 0.000 -0.000 -6.649) 6.649 8.922 ( 0.000 -0.000 6.649) 6.649 9.256 ( 0.000 -0.000 -23.050) 23.050 9.256 ( 0.000 -0.000 23.050) 23.050 9.802 ( 0.000 -0.000 -38.019) 38.019 9.802 ( -0.000 -0.000 38.019) 38.019 9.928 ( 0.000 -0.000 -6.541) 6.541 9.928 ( 0.000 -0.000 6.541) 6.541 10.582 ( -0.000 -0.000 -12.805) 12.805 10.582 ( 0.000 -0.000 12.805) 12.805 11.283 ( 0.000 -0.000 -10.477) 10.477 11.283 ( 0.000 -0.000 10.477) 10.477 11.409 ( 0.000 0.000 -12.190) 12.190 11.409 ( 0.000 -0.000 12.190) 12.190 11.805 ( 0.000 -0.000 -9.579) 9.579 11.805 ( 0.000 0.000 9.579) 9.579 12.427 ( 0.000 -0.000 -15.754) 15.754 12.427 ( 0.000 -0.000 15.754) 15.754 12.827 ( 0.000 -0.000 -9.187) 9.187 12.827 ( 0.000 -0.000 9.187) 9.187 13.549 ( 0.000 -0.000 -1.674) 1.674 13.549 ( 0.000 -0.000 1.674) 1.674 20.401 ( 0.000 -0.000 -7.235) 7.235 20.401 ( 0.000 -0.000 7.235) 7.235 20.485 ( 0.000 -0.000 -2.939) 2.939 20.485 ( 0.000 -0.000 2.939) 2.939 21.052 ( 0.000 -0.000 -11.472) 11.472 21.052 ( 0.000 -0.000 11.472) 11.472 21.691 ( 0.000 -0.000 -5.102) 5.102 21.691 ( 0.000 -0.000 5.102) 5.102 22.058 ( 0.000 -0.000 -10.344) 10.344 22.058 ( 0.000 -0.000 10.344) 10.344 22.574 ( 0.000 -0.000 -17.760) 17.760 22.574 ( 0.000 -0.000 17.760) 17.760 24.764 ( 0.000 -0.000 -0.015) 0.015 24.764 ( 0.000 -0.000 0.015) 0.015 25.149 ( 0.000 -0.000 -3.059) 3.059 25.149 ( 0.000 -0.000 3.059) 3.059 25.338 ( 0.000 -0.000 -4.572) 4.572 25.338 ( 0.000 -0.000 4.572) 4.572 26.067 ( 0.000 -0.000 -11.394) 11.394 26.067 ( 0.000 -0.000 11.394) 11.394 27.165 ( 0.000 -0.000 -7.165) 7.165 27.165 ( 0.000 -0.000 7.165) 7.165 27.216 ( 0.000 -0.000 -4.413) 4.413 27.216 ( 0.000 -0.000 4.413) 4.413 38.286 ( 0.000 -0.000 -0.994) 0.994 38.286 ( 0.000 -0.000 0.994) 0.994 38.391 ( 0.000 -0.000 -1.605) 1.605 38.391 ( 0.000 -0.000 1.605) 1.605 38.812 ( 0.000 -0.000 -0.988) 0.988 38.812 ( 0.000 -0.000 0.988) 0.988 51.826 ( 0.000 -0.000 -9.197) 9.197 51.826 ( 0.000 -0.000 9.197) 9.197 52.949 ( 0.000 -0.000 -9.257) 9.257 52.949 ( 0.000 -0.000 9.257) 9.257 53.542 ( 0.000 -0.000 -1.366) 1.366 53.542 ( 0.000 -0.000 1.366) 1.366 54.126 ( 0.000 -0.000 -3.092) 3.092 54.126 ( 0.000 -0.000 3.092) 3.092 55.474 ( 0.000 -0.000 -16.321) 16.321 55.474 ( 0.000 -0.000 16.321) 16.321 55.516 ( 0.000 0.000 -16.529) 16.529 55.516 ( 0.000 0.000 16.529) 16.529 58.081 ( 0.000 -0.000 -0.416) 0.416 58.081 ( 0.000 -0.000 0.416) 0.416 58.390 ( 0.000 -0.000 -2.080) 2.080 58.390 ( 0.000 -0.000 2.080) 2.080 60.176 ( 0.000 -0.000 -0.342) 0.342 60.176 ( 0.000 -0.000 0.342) 0.342 ======================= Grid point 339 (100/124) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 15.594 -0.000 -27.311) 31.450 2.911 ( 15.594 -0.000 27.311) 31.450 3.410 ( 4.577 -0.000 -39.514) 39.778 3.410 ( 4.577 -0.000 39.514) 39.778 3.981 ( -14.982 0.000 -20.791) 25.627 3.981 ( -14.982 0.000 20.791) 25.627 5.622 ( 11.113 -0.000 -61.765) 62.757 5.622 ( 11.113 -0.000 61.765) 62.757 5.821 ( 9.318 -0.000 -2.130) 9.558 5.821 ( 9.318 -0.000 2.130) 9.558 6.135 ( -7.566 0.000 -3.554) 8.359 6.135 ( -7.566 0.000 3.554) 8.359 6.682 ( 6.411 -0.000 -22.963) 23.841 6.682 ( 6.411 -0.000 22.963) 23.841 6.742 ( 4.213 -0.000 -20.949) 21.369 6.742 ( 4.213 -0.000 20.949) 21.369 7.432 ( -6.760 0.000 -10.922) 12.845 7.432 ( -6.760 0.000 10.922) 12.845 7.900 ( -14.519 0.000 -2.488) 14.731 7.900 ( -14.519 0.000 2.488) 14.731 8.547 ( 14.268 -0.000 -1.514) 14.348 8.547 ( 14.268 -0.000 1.514) 14.348 8.820 ( 9.132 -0.000 -6.323) 11.107 8.820 ( 9.132 -0.000 6.323) 11.107 9.635 ( -0.322 0.000 -0.982) 1.034 9.635 ( -0.322 0.000 0.982) 1.034 9.834 ( 7.907 -0.000 -2.670) 8.346 9.834 ( 7.907 -0.000 2.670) 8.346 10.701 ( 5.009 -0.000 -19.467) 20.101 10.701 ( 5.009 -0.000 19.467) 20.101 11.019 ( 0.876 -0.000 -14.532) 14.558 11.019 ( 0.876 -0.000 14.532) 14.558 12.209 ( -26.535 0.000 -13.588) 29.812 12.209 ( -26.535 0.000 13.588) 29.812 12.307 ( -6.225 0.000 -3.790) 7.288 12.307 ( -6.225 0.000 3.790) 7.288 12.435 ( -0.496 0.000 -7.556) 7.572 12.435 ( -0.496 0.000 7.556) 7.572 13.348 ( 1.784 -0.000 -3.748) 4.151 13.348 ( 1.784 -0.000 3.748) 4.151 13.936 ( -9.400 0.000 -5.102) 10.695 13.936 ( -9.400 0.000 5.102) 10.695 20.506 ( 0.661 -0.000 -8.526) 8.551 20.506 ( 0.661 -0.000 8.526) 8.551 20.814 ( -1.993 0.000 -16.247) 16.369 20.814 ( -1.993 0.000 16.247) 16.369 21.247 ( 6.046 -0.000 -1.455) 6.219 21.247 ( 6.046 -0.000 1.455) 6.219 21.281 ( 2.173 -0.000 -5.003) 5.454 21.281 ( 2.173 -0.000 5.003) 5.454 21.890 ( -0.693 0.000 -7.853) 7.884 21.890 ( -0.693 0.000 7.853) 7.884 22.582 ( -1.352 0.000 -12.822) 12.894 22.582 ( -1.352 0.000 12.822) 12.894 24.601 ( -0.463 0.000 -9.387) 9.398 24.601 ( -0.463 0.000 9.387) 9.398 24.908 ( -2.000 0.000 -1.065) 2.265 24.908 ( -2.000 0.000 1.065) 2.265 25.541 ( 12.004 -0.000 -6.736) 13.764 25.541 ( 12.004 -0.000 6.736) 13.764 25.579 ( 4.530 -0.000 -2.854) 5.354 25.579 ( 4.530 -0.000 2.854) 5.354 27.183 ( -1.223 0.000 -7.638) 7.735 27.183 ( -1.223 0.000 7.638) 7.735 27.225 ( -0.790 0.000 -7.849) 7.888 27.225 ( -0.790 0.000 7.849) 7.888 38.223 ( 0.303 -0.000 -0.629) 0.699 38.223 ( 0.303 -0.000 0.629) 0.699 38.266 ( 2.422 -0.000 -0.789) 2.548 38.266 ( 2.422 -0.000 0.789) 2.548 38.771 ( 0.435 -0.000 -0.854) 0.958 38.771 ( 0.435 -0.000 0.854) 0.958 51.965 ( -1.586 0.000 -0.748) 1.754 51.965 ( -1.586 0.000 0.748) 1.754 53.200 ( -8.921 0.000 -3.558) 9.604 53.200 ( -8.921 0.000 3.558) 9.604 53.472 ( 2.340 -0.000 -0.415) 2.377 53.472 ( 2.340 -0.000 0.415) 2.377 54.513 ( -1.772 0.000 -5.829) 6.092 54.513 ( -1.772 0.000 5.829) 6.092 55.080 ( 0.718 -0.000 -0.027) 0.719 55.080 ( 0.718 -0.000 0.027) 0.719 56.373 ( -12.048 0.000 -12.037) 17.030 56.373 ( -12.048 0.000 12.037) 17.030 58.074 ( 0.878 -0.000 -0.583) 1.054 58.074 ( 0.878 -0.000 0.583) 1.054 58.141 ( 6.176 -0.000 -2.578) 6.692 58.141 ( 6.176 -0.000 2.578) 6.692 60.176 ( 0.019 -0.000 -0.137) 0.139 60.176 ( 0.019 -0.000 0.137) 0.139 ======================= Grid point 341 (101/124) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 15.231 -6.572 -27.783) 32.359 3.145 ( 15.231 -6.572 27.783) 32.359 3.481 ( 1.408 -3.425 -30.357) 30.582 3.481 ( 1.408 -3.425 30.357) 30.582 3.898 ( -0.884 -2.845 -5.980) 6.681 3.898 ( -0.884 -2.845 5.980) 6.681 5.627 ( 0.971 9.733 -14.538) 17.522 5.627 ( 0.971 9.733 14.538) 17.522 5.891 ( 7.987 3.039 -28.191) 29.458 5.891 ( 7.987 3.039 28.191) 29.458 6.151 ( -4.533 -13.489 -14.447) 20.279 6.151 ( -4.533 -13.489 14.447) 20.279 6.722 ( 5.481 2.267 -9.283) 11.016 6.722 ( 5.481 2.267 9.283) 11.016 6.847 ( 3.512 -3.738 -8.141) 9.622 6.847 ( 3.512 -3.738 8.141) 9.622 7.394 ( -1.255 -2.379 -12.895) 13.173 7.394 ( -1.255 -2.379 12.895) 13.173 7.777 ( -12.323 -0.472 -6.791) 14.078 7.777 ( -12.323 -0.472 6.791) 14.078 8.727 ( 10.450 -5.779 -6.076) 13.398 8.727 ( 10.450 -5.779 6.076) 13.398 8.962 ( 8.736 -5.111 -7.563) 12.635 8.962 ( 8.736 -5.111 7.563) 12.635 9.647 ( 0.830 -0.849 -7.447) 7.541 9.647 ( 0.830 -0.849 7.447) 7.541 9.923 ( 8.974 -0.700 -3.757) 9.754 9.923 ( 8.974 -0.700 3.757) 9.754 10.768 ( 5.266 -1.766 -19.461) 20.238 10.768 ( 5.266 -1.766 19.461) 20.238 11.029 ( 3.190 0.979 -17.995) 18.302 11.029 ( 3.190 0.979 17.995) 18.302 11.768 ( -28.634 15.276 -10.408) 34.082 11.768 ( -28.634 15.276 10.408) 34.082 12.234 ( -7.060 0.712 -3.124) 7.753 12.234 ( -7.060 0.712 3.124) 7.753 12.409 ( -0.380 2.161 -8.287) 8.572 12.409 ( -0.380 2.161 8.287) 8.572 13.376 ( 1.560 -0.751 -5.469) 5.737 13.376 ( 1.560 -0.751 5.469) 5.737 13.759 ( -11.570 7.341 -7.478) 15.610 13.759 ( -11.570 7.341 7.478) 15.610 20.475 ( -6.030 -0.347 -6.274) 8.709 20.475 ( -6.030 -0.347 6.274) 8.709 20.799 ( 2.887 4.349 -14.202) 15.131 20.799 ( 2.887 4.349 14.202) 15.131 21.195 ( 1.336 3.971 -3.021) 5.166 21.195 ( 1.336 3.971 3.021) 5.166 21.447 ( 6.338 -7.549 -2.982) 10.298 21.447 ( 6.338 -7.549 2.982) 10.298 21.892 ( -0.905 -1.342 -8.343) 8.499 21.892 ( -0.905 -1.342 8.343) 8.499 22.568 ( -1.492 -0.186 -13.870) 13.952 22.568 ( -1.492 -0.186 13.870) 13.952 24.602 ( 0.446 -0.593 -7.496) 7.533 24.602 ( 0.446 -0.593 7.496) 7.533 24.924 ( 0.258 -2.559 -1.798) 3.138 24.924 ( 0.258 -2.559 1.798) 3.138 25.548 ( 0.814 1.769 -3.473) 3.981 25.548 ( 0.814 1.769 3.473) 3.981 25.778 ( 13.628 -5.660 -10.736) 18.249 25.778 ( 13.628 -5.660 10.736) 18.249 27.168 ( -1.518 0.064 -7.531) 7.683 27.168 ( -1.518 0.064 7.531) 7.683 27.214 ( -0.994 0.147 -7.144) 7.214 27.214 ( -0.994 0.147 7.144) 7.214 38.231 ( 0.633 -0.396 -0.324) 0.814 38.231 ( 0.633 -0.396 0.324) 0.814 38.305 ( 2.372 -1.440 -1.196) 3.022 38.305 ( 2.372 -1.440 1.196) 3.022 38.779 ( 0.584 -0.298 -0.873) 1.092 38.779 ( 0.584 -0.298 0.873) 1.092 51.935 ( -1.845 1.336 -1.949) 2.998 51.935 ( -1.845 1.336 1.949) 2.998 53.101 ( -9.478 0.487 -5.845) 11.146 53.101 ( -9.478 0.487 5.845) 11.146 53.493 ( 1.306 -0.297 -1.779) 2.226 53.493 ( 1.306 -0.297 1.779) 2.226 54.451 ( -1.519 4.696 -4.247) 6.511 54.451 ( -1.519 4.696 4.247) 6.511 55.107 ( 1.059 -2.129 -4.231) 4.853 55.107 ( 1.059 -2.129 4.231) 4.853 56.179 ( -10.675 7.395 -17.205) 21.556 56.179 ( -10.675 7.395 17.205) 21.556 58.069 ( 1.059 0.847 -0.127) 1.362 58.069 ( 1.059 0.847 0.127) 1.362 58.246 ( 4.438 -3.897 -4.490) 7.419 58.246 ( 4.438 -3.897 4.490) 7.419 60.176 ( 0.001 -0.016 -0.196) 0.197 60.176 ( 0.001 -0.016 0.196) 0.197 ======================= Grid point 343 (102/124) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( 7.293 -4.650 -19.010) 20.886 3.373 ( 7.293 -4.650 19.010) 20.886 3.505 ( 2.709 -0.315 -22.364) 22.530 3.505 ( 2.709 -0.315 22.364) 22.530 4.143 ( 14.082 -15.412 -6.369) 21.826 4.143 ( 14.082 -15.412 6.369) 21.826 5.409 ( 0.892 13.246 -2.098) 13.440 5.409 ( 0.892 13.246 2.098) 13.440 5.844 ( -6.345 0.305 -2.857) 6.965 5.844 ( -6.345 0.305 2.857) 6.965 6.432 ( -0.950 -13.028 -24.184) 27.486 6.432 ( -0.950 -13.028 24.184) 27.486 6.730 ( 2.786 0.064 -6.255) 6.848 6.730 ( 2.786 0.064 6.255) 6.848 6.887 ( 1.545 0.836 -8.511) 8.690 6.887 ( 1.545 0.836 8.511) 8.690 7.455 ( 5.333 -0.088 -18.886) 19.625 7.455 ( 5.333 -0.088 18.886) 19.625 7.699 ( -8.907 -4.707 -11.095) 14.986 7.699 ( -8.907 -4.707 11.095) 14.986 8.899 ( 4.831 -3.346 -14.975) 16.087 8.899 ( 4.831 -3.346 14.975) 16.087 9.118 ( 3.440 -4.785 -11.423) 12.854 9.118 ( 3.440 -4.785 11.423) 12.854 9.685 ( 3.002 -1.821 -9.743) 10.357 9.685 ( 3.002 -1.821 9.743) 10.357 10.025 ( 6.814 -0.697 -10.032) 12.147 10.025 ( 6.814 -0.697 10.032) 12.147 10.873 ( 4.413 -5.034 -18.768) 19.926 10.873 ( 4.413 -5.034 18.768) 19.926 11.043 ( 2.209 3.139 -20.045) 20.409 11.043 ( 2.209 3.139 20.045) 20.409 11.257 ( -16.552 12.142 -13.051) 24.325 11.257 ( -16.552 12.142 13.051) 24.325 12.149 ( -4.863 2.143 -2.909) 6.058 12.149 ( -4.863 2.143 2.909) 6.058 12.369 ( -0.645 1.436 -7.546) 7.708 12.369 ( -0.645 1.436 7.546) 7.708 13.336 ( -6.400 7.190 -14.259) 17.204 13.336 ( -6.400 7.190 14.259) 17.204 13.542 ( -4.415 3.402 -1.470) 5.765 13.542 ( -4.415 3.402 1.470) 5.765 20.415 ( -8.628 -1.296 -3.709) 9.480 20.415 ( -8.628 -1.296 3.709) 9.480 20.716 ( 3.396 8.009 -9.149) 12.625 20.716 ( 3.396 8.009 9.149) 12.625 21.150 ( 1.103 2.850 -7.586) 8.178 21.150 ( 1.103 2.850 7.586) 8.178 21.610 ( 4.195 -4.379 -1.842) 6.338 21.610 ( 4.195 -4.379 1.842) 6.338 21.924 ( -0.697 -3.315 -9.314) 9.911 21.924 ( -0.697 -3.315 9.314) 9.911 22.561 ( -1.129 -0.460 -15.690) 15.737 22.561 ( -1.129 -0.460 15.690) 15.737 24.637 ( 1.499 -2.278 -5.045) 5.735 24.637 ( 1.499 -2.278 5.045) 5.735 24.987 ( 1.691 -3.300 -3.124) 4.848 24.987 ( 1.691 -3.300 3.124) 4.848 25.512 ( -0.575 2.619 -4.073) 4.877 25.512 ( -0.575 2.619 4.073) 4.877 25.973 ( 8.506 -3.417 -12.244) 15.295 25.973 ( 8.506 -3.417 12.244) 15.295 27.156 ( -1.293 -0.364 -7.146) 7.272 27.156 ( -1.293 -0.364 7.146) 7.272 27.204 ( -0.892 -0.111 -6.307) 6.371 27.204 ( -0.892 -0.111 6.307) 6.371 38.249 ( 1.046 -0.683 -0.424) 1.319 38.249 ( 1.046 -0.683 0.424) 1.319 38.350 ( 1.271 -1.444 -1.550) 2.470 38.350 ( 1.271 -1.444 1.550) 2.470 38.791 ( 0.618 -0.449 -0.916) 1.193 38.791 ( 0.618 -0.449 0.916) 1.193 51.891 ( -1.378 1.707 -4.254) 4.786 51.891 ( -1.378 1.707 4.254) 4.786 53.005 ( -8.156 0.203 -8.037) 11.452 53.005 ( -8.156 0.203 8.037) 11.452 53.509 ( 0.281 -0.594 -2.335) 2.426 53.509 ( 0.281 -0.594 2.335) 2.426 54.341 ( -0.338 6.413 -2.983) 7.081 54.341 ( -0.338 6.413 2.983) 7.081 55.173 ( 1.401 -3.980 -7.997) 9.042 55.173 ( 1.401 -3.980 7.997) 9.042 55.952 ( -6.940 8.250 -19.845) 22.584 55.952 ( -6.940 8.250 19.845) 22.584 58.072 ( 1.560 0.290 -0.557) 1.682 58.072 ( 1.560 0.290 0.557) 1.682 58.332 ( 1.249 -2.598 -4.533) 5.372 58.332 ( 1.249 -2.598 4.533) 5.372 60.176 ( -0.061 0.001 -0.253) 0.260 60.176 ( -0.061 0.001 0.253) 0.260 ======================= Grid point 345 (103/124) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 7.077 6.473 -15.135) 17.918 3.382 ( 7.077 6.473 15.135) 17.918 3.688 ( 11.287 -8.216 -19.686) 24.134 3.688 ( 11.287 -8.216 19.686) 24.134 4.547 ( 9.037 -13.143 -6.330) 17.161 4.547 ( 9.037 -13.143 6.330) 17.161 5.294 ( 5.403 0.645 -6.551) 8.517 5.294 ( 5.403 0.645 6.551) 8.517 5.792 ( -7.540 -2.767 -5.021) 9.471 5.792 ( -7.540 -2.767 5.021) 9.471 6.439 ( -4.063 6.077 -8.370) 11.113 6.439 ( -4.063 6.077 8.370) 11.113 6.754 ( -4.661 -0.474 -3.196) 5.671 6.754 ( -4.661 -0.474 3.196) 5.671 6.866 ( -1.668 1.981 -14.237) 14.471 6.866 ( -1.668 1.981 14.237) 14.471 7.485 ( -5.625 -2.901 -6.118) 8.803 7.485 ( -5.625 -2.901 6.118) 8.803 7.820 ( 11.344 -7.740 -8.953) 16.393 7.820 ( 11.344 -7.740 8.953) 16.393 8.906 ( -1.391 2.723 -18.832) 19.079 8.906 ( -1.391 2.723 18.832) 19.079 9.212 ( 0.528 -4.241 -22.205) 22.613 9.212 ( 0.528 -4.241 22.205) 22.613 9.765 ( 3.494 -2.854 -11.215) 12.089 9.765 ( 3.494 -2.854 11.215) 12.089 10.030 ( 0.485 4.549 -18.102) 18.671 10.030 ( 0.485 4.549 18.102) 18.671 10.781 ( -9.793 9.701 -12.920) 18.893 10.781 ( -9.793 9.701 12.920) 18.893 11.080 ( 6.237 -8.361 -7.974) 13.130 11.080 ( 6.237 -8.361 7.974) 13.130 11.209 ( 4.060 -4.351 -7.770) 9.787 11.209 ( 4.060 -4.351 7.770) 9.787 12.053 ( -2.105 5.875 -1.940) 6.535 12.053 ( -2.105 5.875 1.940) 6.535 12.361 ( -0.535 -1.474 -11.087) 11.197 12.361 ( -0.535 -1.474 11.087) 11.197 13.059 ( -9.632 10.975 -16.096) 21.733 13.059 ( -9.632 10.975 16.096) 21.733 13.531 ( 0.770 -0.867 -1.108) 1.604 13.531 ( 0.770 -0.867 1.108) 1.604 20.355 ( -8.821 -2.124 -1.648) 9.222 20.355 ( -8.821 -2.124 1.648) 9.222 20.615 ( 3.750 7.352 -6.270) 10.364 20.615 ( 3.750 7.352 6.270) 10.364 21.116 ( 2.033 2.738 -9.495) 10.089 21.116 ( 2.033 2.738 9.495) 10.089 21.678 ( 0.882 -1.096 -2.779) 3.115 21.678 ( 0.882 -1.096 2.779) 3.115 21.984 ( -0.336 -3.814 -9.512) 10.254 21.984 ( -0.336 -3.814 9.512) 10.254 22.562 ( -0.534 -0.604 -17.029) 17.048 22.562 ( -0.534 -0.604 17.029) 17.048 24.701 ( 1.838 -2.864 -2.774) 4.391 24.701 ( 1.838 -2.864 2.774) 4.391 25.065 ( 2.330 -3.314 -3.826) 5.572 25.065 ( 2.330 -3.314 3.826) 5.572 25.443 ( -1.956 3.858 -4.600) 6.314 25.443 ( -1.956 3.858 4.600) 6.314 26.063 ( 3.895 -0.381 -11.569) 12.213 26.063 ( 3.895 -0.381 11.569) 12.213 27.154 ( -0.866 -0.639 -7.259) 7.339 27.154 ( -0.866 -0.639 7.259) 7.339 27.202 ( -0.523 -0.537 -5.473) 5.524 27.202 ( -0.523 -0.537 5.473) 5.524 38.274 ( 1.341 -0.681 -0.789) 1.698 38.274 ( 1.341 -0.681 0.789) 1.698 38.376 ( 0.056 -0.779 -1.419) 1.620 38.376 ( 0.056 -0.779 1.419) 1.620 38.805 ( 0.502 -0.373 -0.947) 1.135 38.805 ( 0.502 -0.373 0.947) 1.135 51.854 ( -0.614 1.350 -6.778) 6.939 51.854 ( -0.614 1.350 6.778) 6.939 52.939 ( -5.691 -0.625 -9.572) 11.153 52.939 ( -5.691 -0.625 9.572) 11.153 53.520 ( -0.546 -0.838 -2.271) 2.481 53.520 ( -0.546 -0.838 2.271) 2.481 54.237 ( 0.725 5.648 -2.967) 6.421 54.237 ( 0.725 5.648 2.967) 6.421 55.270 ( 1.670 -5.454 -11.251) 12.614 55.270 ( 1.670 -5.454 11.251) 12.614 55.759 ( -4.362 7.657 -19.547) 21.441 55.759 ( -4.362 7.657 19.547) 21.441 58.087 ( 2.078 0.192 -0.831) 2.246 58.087 ( 2.078 0.192 0.831) 2.246 58.365 ( -0.867 -1.305 -3.356) 3.703 58.365 ( -0.867 -1.305 3.356) 3.703 60.175 ( -0.125 -0.000 -0.269) 0.297 60.175 ( -0.125 -0.000 0.269) 0.297 ======================= Grid point 347 (104/124) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( 15.680 7.394 -23.978) 29.588 3.370 ( 15.680 7.394 23.978) 29.588 3.928 ( 11.755 -4.996 -10.360) 16.446 3.928 ( 11.755 -4.996 10.360) 16.446 4.705 ( 3.987 -0.468 -11.423) 12.108 4.705 ( 3.987 -0.468 11.423) 12.108 5.470 ( 0.155 -9.663 -17.904) 20.346 5.470 ( 0.155 -9.663 17.904) 20.346 5.806 ( -1.874 -5.046 -7.331) 9.094 5.806 ( -1.874 -5.046 7.331) 9.094 6.241 ( -4.215 8.731 -5.482) 11.138 6.241 ( -4.215 8.731 5.482) 11.138 6.628 ( -6.357 5.952 -9.776) 13.092 6.628 ( -6.357 5.952 9.776) 13.092 6.846 ( -4.035 -3.597 -11.185) 12.423 6.846 ( -4.035 -3.597 11.185) 12.423 7.440 ( -11.838 -2.866 -9.130) 15.222 7.440 ( -11.838 -2.866 9.130) 15.222 8.051 ( 14.053 0.351 -4.572) 14.783 8.051 ( 14.053 0.351 4.572) 14.783 8.887 ( 0.449 -3.038 -8.831) 9.350 8.887 ( 0.449 -3.038 8.831) 9.350 9.255 ( -0.378 -0.417 -21.201) 21.208 9.255 ( -0.378 -0.417 21.201) 21.208 9.822 ( -0.228 -0.563 -18.613) 18.623 9.822 ( -0.228 -0.563 18.613) 18.623 9.938 ( 0.738 3.597 -19.403) 19.747 9.938 ( 0.738 3.597 19.403) 19.747 10.589 ( -5.674 3.571 -13.517) 15.089 10.589 ( -5.674 3.571 13.517) 15.089 11.242 ( 1.417 -4.556 -12.912) 13.765 11.242 ( 1.417 -4.556 12.912) 13.765 11.369 ( 5.326 -6.924 -12.951) 15.622 11.369 ( 5.326 -6.924 12.951) 15.622 11.886 ( -2.990 9.550 -5.980) 11.658 11.886 ( -2.990 9.550 5.980) 11.658 12.406 ( 1.283 -2.754 -15.599) 15.893 12.406 ( 1.283 -2.754 15.599) 15.893 12.846 ( -4.586 4.371 -11.434) 13.072 12.846 ( -4.586 4.371 11.434) 13.072 13.551 ( 0.676 -0.271 -1.285) 1.477 13.551 ( 0.676 -0.271 1.285) 1.477 20.325 ( -6.656 -3.635 -1.765) 7.787 20.325 ( -6.656 -3.635 1.765) 7.787 20.544 ( 3.210 4.758 -4.671) 7.400 20.544 ( 3.210 4.758 4.671) 7.400 21.100 ( 3.693 2.328 -10.230) 11.122 21.100 ( 3.693 2.328 10.230) 11.122 21.681 ( -1.686 -0.013 -4.295) 4.614 21.681 ( -1.686 -0.013 4.295) 4.614 22.036 ( -0.193 -2.327 -9.870) 10.142 22.036 ( -0.193 -2.327 9.870) 10.142 22.569 ( -0.046 -0.509 -17.685) 17.693 22.569 ( -0.046 -0.509 17.685) 17.693 24.758 ( 1.335 -1.437 -0.964) 2.186 24.758 ( 1.335 -1.437 0.964) 2.186 25.141 ( 2.175 -2.290 -3.584) 4.777 25.141 ( 2.175 -2.290 3.584) 4.777 25.352 ( -2.619 3.197 -4.804) 6.337 25.352 ( -2.619 3.197 4.804) 6.337 26.081 ( 1.224 0.894 -11.151) 11.254 26.081 ( 1.224 0.894 11.151) 11.254 27.158 ( -0.589 -0.530 -7.264) 7.307 27.158 ( -0.589 -0.530 7.264) 7.307 27.210 ( -0.028 -0.623 -4.339) 4.384 27.210 ( -0.028 -0.623 4.339) 4.384 38.292 ( 0.943 0.121 -1.042) 1.411 38.292 ( 0.943 0.121 1.042) 1.411 38.384 ( -0.308 -0.580 -1.450) 1.592 38.384 ( -0.308 -0.580 1.450) 1.592 38.813 ( 0.253 -0.076 -0.971) 1.006 38.813 ( 0.253 -0.076 0.971) 1.006 51.833 ( -0.063 0.705 -8.597) 8.626 51.833 ( -0.063 0.705 8.597) 8.626 52.918 ( -2.753 -1.895 -10.366) 10.891 52.918 ( -2.753 -1.895 10.366) 10.891 53.527 ( -0.945 -0.908 -2.127) 2.498 53.527 ( -0.945 -0.908 2.127) 2.498 54.165 ( 1.079 3.647 -3.192) 4.965 54.165 ( 1.079 3.647 3.192) 4.965 55.392 ( 1.863 -6.593 -14.128) 15.702 55.392 ( 1.863 -6.593 14.128) 15.702 55.597 ( -2.853 7.073 -18.050) 19.595 55.597 ( -2.853 7.073 18.050) 19.595 58.100 ( 1.926 0.869 -0.922) 2.305 58.100 ( 1.926 0.869 0.922) 2.305 58.372 ( -1.449 -1.133 -2.155) 2.833 58.372 ( -1.449 -1.133 2.155) 2.833 60.174 ( -0.139 -0.050 -0.283) 0.319 60.174 ( -0.139 -0.050 0.283) 0.319 ======================= Grid point 349 (105/124) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( 19.744 4.316 -25.844) 32.808 3.445 ( 19.744 4.316 25.844) 32.808 4.048 ( 12.572 6.207 -3.053) 14.349 4.048 ( 12.572 6.207 3.053) 14.349 4.734 ( 5.567 1.952 -14.267) 15.438 4.734 ( 5.567 1.952 14.267) 15.438 5.333 ( -19.339 12.863 -7.503) 24.408 5.333 ( -19.339 12.863 7.503) 24.408 5.910 ( 1.786 -4.449 -10.808) 11.824 5.910 ( 1.786 -4.449 10.808) 11.824 6.227 ( 4.318 -6.028 -9.130) 11.762 6.227 ( 4.318 -6.028 9.130) 11.762 6.523 ( -9.978 -5.250 -14.638) 18.477 6.523 ( -9.978 -5.250 14.638) 18.477 6.896 ( 0.812 -3.511 -11.471) 12.024 6.896 ( 0.812 -3.511 11.471) 12.024 7.370 ( -12.582 -3.107 -8.314) 15.397 7.370 ( -12.582 -3.107 8.314) 15.397 8.060 ( 6.691 7.966 -16.166) 19.224 8.060 ( 6.691 7.966 16.166) 19.224 8.962 ( 4.147 0.342 -10.622) 11.408 8.962 ( 4.147 0.342 10.622) 11.408 9.253 ( -0.074 -0.728 -23.067) 23.079 9.253 ( -0.074 -0.728 23.067) 23.079 9.780 ( -2.463 1.906 -24.272) 24.471 9.780 ( -2.463 1.906 24.272) 24.471 9.951 ( 2.041 -0.749 -22.869) 22.972 9.951 ( 2.041 -0.749 22.869) 22.972 10.556 ( -2.161 -5.260 -13.433) 14.587 10.556 ( -2.161 -5.260 13.433) 14.587 11.266 ( -1.249 1.872 -12.013) 12.222 11.266 ( -1.249 1.872 12.013) 12.222 11.388 ( -2.076 9.526 -15.261) 18.109 11.388 ( -2.076 9.526 15.261) 18.109 11.813 ( 0.766 -5.976 -8.575) 10.480 11.813 ( 0.766 -5.976 8.575) 10.480 12.449 ( 1.897 0.453 -17.166) 17.276 12.449 ( 1.897 0.453 17.166) 17.276 12.833 ( 0.521 -5.323 -9.695) 11.073 12.833 ( 0.521 -5.323 9.695) 11.073 13.552 ( 0.205 0.629 -1.257) 1.420 13.552 ( 0.205 0.629 1.257) 1.420 20.347 ( -3.546 -4.230 -2.838) 6.206 20.347 ( -3.546 -4.230 2.838) 6.206 20.522 ( 2.148 0.364 -2.286) 3.158 20.522 ( 2.148 0.364 2.286) 3.158 21.112 ( 5.520 1.552 -10.856) 12.278 21.112 ( 5.520 1.552 10.856) 12.278 21.650 ( -3.852 0.400 -4.916) 6.259 21.650 ( -3.852 0.400 4.916) 6.259 22.058 ( -0.014 -0.206 -10.593) 10.595 22.058 ( -0.014 -0.206 10.593) 10.595 22.578 ( 0.300 -0.316 -18.099) 18.104 22.578 ( 0.300 -0.316 18.099) 18.104 24.767 ( 0.304 1.407 -0.721) 1.610 24.767 ( 0.304 1.407 0.721) 1.610 25.144 ( -0.487 3.264 -3.166) 4.573 25.144 ( -0.487 3.264 3.166) 4.573 25.336 ( -0.232 -3.450 -4.482) 5.661 25.336 ( -0.232 -3.450 4.482) 5.661 26.064 ( -0.310 1.648 -11.459) 11.581 26.064 ( -0.310 1.648 11.459) 11.581 27.160 ( -0.399 -0.334 -7.059) 7.078 27.160 ( -0.399 -0.334 7.059) 7.078 27.221 ( 0.409 -0.370 -4.738) 4.770 27.221 ( 0.409 -0.370 4.738) 4.770 38.285 ( -0.081 1.083 -1.162) 1.591 38.285 ( -0.081 1.083 1.162) 1.591 38.393 ( 0.143 -0.400 -1.624) 1.678 38.393 ( 0.143 -0.400 1.624) 1.678 38.812 ( -0.021 0.310 -1.007) 1.054 38.812 ( -0.021 0.310 1.007) 1.054 51.828 ( 0.185 -0.162 -9.119) 9.122 51.828 ( 0.185 -0.162 9.119) 9.122 52.950 ( 0.104 -3.349 -10.502) 11.023 52.950 ( 0.104 -3.349 10.502) 11.023 53.531 ( -0.946 -0.547 -2.408) 2.645 53.531 ( -0.946 -0.547 2.408) 2.645 54.135 ( 0.820 0.860 -3.069) 3.291 54.135 ( 0.820 0.860 3.069) 3.291 55.448 ( -1.620 6.274 -16.160) 17.410 55.448 ( -1.620 6.274 16.160) 17.410 55.543 ( 1.723 -7.438 -16.686) 18.349 55.543 ( 1.723 -7.438 16.686) 18.349 58.092 ( 0.950 1.610 -0.872) 2.062 58.092 ( 0.950 1.610 0.872) 2.062 58.380 ( -0.861 -1.123 -2.374) 2.763 58.380 ( -0.861 -1.123 2.374) 2.763 60.175 ( -0.095 -0.108 -0.352) 0.381 60.175 ( -0.095 -0.108 0.352) 0.381 ======================= Grid point 351 (106/124) ======================= q-point: (-0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 18.515 2.161 -18.738) 26.431 3.593 ( 18.515 2.161 18.738) 26.431 3.965 ( 11.658 15.352 -10.636) 22.016 3.965 ( 11.658 15.352 10.636) 22.016 4.579 ( -9.040 23.561 -6.379) 26.030 4.579 ( -9.040 23.561 6.379) 26.030 5.004 ( -7.367 -3.011 -3.471) 8.683 5.004 ( -7.367 -3.011 3.471) 8.683 5.969 ( -1.675 -1.664 -12.585) 12.805 5.969 ( -1.675 -1.664 12.585) 12.805 6.376 ( 2.047 -7.539 -8.941) 11.873 6.376 ( 2.047 -7.539 8.941) 11.873 6.591 ( -8.823 -9.179 -13.422) 18.500 6.591 ( -8.823 -9.179 13.422) 18.500 6.964 ( 5.427 -0.497 -8.503) 10.100 6.964 ( 5.427 -0.497 8.503) 10.100 7.291 ( -10.252 -0.950 -8.624) 13.431 7.291 ( -10.252 -0.950 8.624) 13.431 7.997 ( 4.770 4.500 -17.557) 18.742 7.997 ( 4.770 4.500 17.557) 18.742 8.958 ( 3.994 3.134 -6.405) 8.173 8.958 ( 3.994 3.134 6.405) 8.173 9.239 ( -2.143 2.949 -25.079) 25.342 9.239 ( -2.143 2.949 25.079) 25.342 9.720 ( -1.610 2.983 -11.974) 12.445 9.720 ( -1.610 2.983 11.974) 12.445 9.942 ( -2.833 1.531 -27.310) 27.499 9.942 ( -2.833 1.531 27.310) 27.499 10.757 ( 3.708 -16.430 -15.817) 23.105 10.757 ( 3.708 -16.430 15.817) 23.105 11.103 ( -2.956 13.034 -23.399) 26.947 11.103 ( -2.956 13.034 23.399) 26.947 11.208 ( -2.755 5.482 -14.279) 15.541 11.208 ( -2.755 5.482 14.279) 15.541 11.984 ( 1.626 -9.640 -2.261) 10.034 11.984 ( 1.626 -9.640 2.261) 10.034 12.433 ( 1.320 2.516 -15.307) 15.569 12.433 ( 1.320 2.516 15.307) 15.569 13.023 ( 2.930 -13.435 -12.308) 18.455 13.023 ( 2.930 -13.435 12.308) 18.455 13.538 ( 0.060 0.859 -1.482) 1.714 13.538 ( 0.060 0.859 1.482) 1.714 20.376 ( -2.013 -2.009 -5.872) 6.524 20.376 ( -2.013 -2.009 5.872) 6.524 20.593 ( 2.251 -5.980 -1.694) 6.611 20.593 ( 2.251 -5.980 1.694) 6.611 21.151 ( 6.611 1.247 -11.738) 13.529 21.151 ( 6.611 1.247 11.738) 13.529 21.589 ( -5.828 1.234 -4.602) 7.528 21.589 ( -5.828 1.234 4.602) 7.528 22.042 ( 0.065 1.986 -11.352) 11.525 22.042 ( 0.065 1.986 11.352) 11.525 22.586 ( 0.550 -0.181 -18.260) 18.269 22.586 ( 0.550 -0.181 18.260) 18.269 24.723 ( -0.313 3.348 -2.533) 4.210 24.723 ( -0.313 3.348 2.533) 4.210 25.067 ( -1.264 3.670 -3.481) 5.214 25.067 ( -1.264 3.670 3.481) 5.214 25.416 ( 0.619 -4.510 -4.479) 6.387 25.416 ( 0.619 -4.510 4.479) 6.387 26.012 ( -1.597 3.576 -12.033) 12.654 26.012 ( -1.597 3.576 12.033) 12.654 27.163 ( -0.151 -0.339 -7.002) 7.011 27.163 ( -0.151 -0.339 7.002) 7.011 27.229 ( 0.583 0.052 -6.499) 6.526 27.229 ( 0.583 0.052 6.499) 6.526 38.261 ( -0.465 1.174 -1.202) 1.744 38.261 ( -0.465 1.174 1.202) 1.744 38.393 ( 0.096 0.792 -1.879) 2.041 38.393 ( 0.096 0.792 1.879) 2.041 38.802 ( -0.178 0.595 -1.047) 1.217 38.802 ( -0.178 0.595 1.047) 1.217 51.843 ( 0.318 -1.312 -8.169) 8.280 51.843 ( 0.318 -1.312 8.169) 8.280 53.031 ( 2.198 -4.513 -10.064) 11.247 53.031 ( 2.198 -4.513 10.064) 11.247 53.524 ( -0.868 0.382 -3.072) 3.215 53.524 ( -0.868 0.382 3.072) 3.215 54.156 ( 0.423 -2.667 -2.589) 3.741 54.156 ( 0.423 -2.667 2.589) 3.741 55.324 ( -1.132 6.077 -14.009) 15.312 55.324 ( -1.132 6.077 14.009) 15.312 55.709 ( 2.009 -9.395 -18.781) 21.096 55.709 ( 2.009 -9.395 18.781) 21.096 58.069 ( 0.125 1.484 -0.788) 1.685 58.069 ( 0.125 1.484 0.788) 1.685 58.385 ( -0.411 0.146 -3.699) 3.725 58.385 ( -0.411 0.146 3.699) 3.725 60.176 ( -0.037 -0.108 -0.456) 0.470 60.176 ( -0.037 -0.108 0.456) 0.470 ======================= Grid point 353 (107/124) ======================= q-point: (-0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 12.005 18.641 -11.177) 24.830 3.589 ( 12.005 18.641 11.177) 24.830 3.843 ( -2.274 14.765 -2.798) 15.199 3.843 ( -2.274 14.765 2.798) 15.199 4.053 ( -3.486 10.030 -17.846) 20.766 4.053 ( -3.486 10.030 17.846) 20.766 5.127 ( 0.882 -10.356 -9.180) 13.867 5.127 ( 0.882 -10.356 9.180) 13.867 5.923 ( -5.815 2.814 -19.195) 20.253 5.923 ( -5.815 2.814 19.195) 20.253 6.504 ( -0.651 -0.764 -4.557) 4.666 6.504 ( -0.651 -0.764 4.557) 4.666 6.600 ( -0.965 -3.125 -5.800) 6.659 6.600 ( -0.965 -3.125 5.800) 6.659 6.992 ( 3.594 4.530 -9.734) 11.322 6.992 ( 3.594 4.530 9.734) 11.322 7.242 ( -4.708 -3.670 -8.929) 10.741 7.242 ( -4.708 -3.670 8.929) 10.741 8.002 ( 2.924 -0.199 -5.404) 6.148 8.002 ( 2.924 -0.199 5.404) 6.148 8.933 ( 5.913 7.181 -4.984) 10.553 8.933 ( 5.913 7.181 4.984) 10.553 9.088 ( -7.706 8.332 -17.328) 20.714 9.088 ( -7.706 8.332 17.328) 20.714 9.658 ( -0.410 1.805 -2.025) 2.743 9.658 ( -0.410 1.805 2.025) 2.743 9.862 ( -3.806 3.395 -30.076) 30.506 9.862 ( -3.806 3.395 30.076) 30.506 10.841 ( -2.824 8.609 -25.433) 26.999 10.841 ( -2.824 8.609 25.433) 26.999 11.067 ( 1.781 3.553 -18.441) 18.865 11.067 ( 1.781 3.553 18.441) 18.865 11.243 ( 3.103 -24.423 -8.946) 26.194 11.243 ( 3.103 -24.423 8.946) 26.194 12.153 ( 1.270 -8.380 -2.208) 8.758 12.153 ( 1.270 -8.380 2.208) 8.758 12.406 ( 0.842 1.636 -11.969) 12.110 12.406 ( 0.842 1.636 11.969) 12.110 13.286 ( 1.340 -11.189 -12.168) 16.585 13.286 ( 1.340 -11.189 12.168) 16.585 13.553 ( 1.036 -4.275 -1.515) 4.653 13.553 ( 1.036 -4.275 1.515) 4.653 20.386 ( -1.714 -1.694 -7.290) 7.678 20.386 ( -1.714 -1.694 7.290) 7.678 20.750 ( 2.864 -8.516 -3.802) 9.756 20.750 ( 2.864 -8.516 3.802) 9.756 21.181 ( 5.049 2.805 -13.120) 14.335 21.181 ( 5.049 2.805 13.120) 14.335 21.493 ( -5.971 2.832 -3.896) 7.671 21.493 ( -5.971 2.832 3.896) 7.671 21.996 ( 0.128 3.221 -11.636) 12.074 21.996 ( 0.128 3.221 11.636) 12.074 22.594 ( 0.497 -0.077 -17.581) 17.589 22.594 ( 0.497 -0.077 17.581) 17.589 24.659 ( -0.255 3.331 -4.932) 5.957 24.659 ( -0.255 3.331 4.932) 5.957 25.005 ( -0.542 2.386 -3.368) 4.163 25.005 ( -0.542 2.386 3.368) 4.163 25.485 ( 0.247 -2.642 -4.861) 5.538 25.485 ( 0.247 -2.642 4.861) 5.538 25.898 ( -2.314 7.585 -12.171) 14.526 25.898 ( -2.314 7.585 12.171) 14.526 27.170 ( 0.073 -0.552 -7.076) 7.097 27.170 ( 0.073 -0.552 7.076) 7.097 27.231 ( 0.419 0.270 -7.922) 7.938 27.231 ( 0.419 0.270 7.922) 7.938 38.240 ( -0.299 0.795 -1.095) 1.386 38.240 ( -0.299 0.795 1.095) 1.386 38.364 ( -0.219 2.396 -2.045) 3.157 38.364 ( -0.219 2.396 2.045) 3.157 38.789 ( -0.157 0.680 -1.045) 1.257 38.789 ( -0.157 0.680 1.045) 1.257 51.879 ( 0.339 -2.394 -6.026) 6.493 51.879 ( 0.339 -2.394 6.026) 6.493 53.140 ( 2.616 -4.932 -8.990) 10.582 53.140 ( 2.616 -4.932 8.990) 10.582 53.500 ( -0.838 1.427 -3.616) 3.977 53.500 ( -0.838 1.427 3.616) 3.977 54.237 ( 0.263 -6.207 -2.505) 6.699 54.237 ( 0.263 -6.207 2.505) 6.699 55.219 ( -0.544 5.095 -11.416) 12.514 55.219 ( -0.544 5.095 11.416) 12.514 55.910 ( 1.796 -11.748 -19.695) 23.003 55.910 ( 1.796 -11.748 19.695) 23.003 58.048 ( -0.153 0.809 -0.623) 1.033 58.048 ( -0.153 0.809 0.623) 1.033 58.357 ( -0.465 2.854 -4.812) 5.614 58.357 ( -0.465 2.854 4.812) 5.614 60.177 ( -0.005 -0.040 -0.501) 0.502 60.177 ( -0.005 -0.040 0.501) 0.502 ======================= Grid point 355 (108/124) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( -0.000 25.424 -25.426) 35.957 3.235 ( -0.000 25.424 25.426) 35.957 3.507 ( -0.000 11.157 -37.994) 39.598 3.507 ( -0.000 11.157 37.994) 39.598 4.116 ( 0.000 -5.081 -25.873) 26.367 4.116 ( 0.000 -5.081 25.873) 26.367 5.340 ( 0.000 -13.727 -8.250) 16.015 5.340 ( 0.000 -13.727 8.250) 16.015 5.762 ( -0.000 11.153 -46.710) 48.023 5.762 ( -0.000 11.153 46.710) 48.023 6.412 ( -0.000 6.150 -2.751) 6.737 6.412 ( -0.000 6.150 2.751) 6.737 6.695 ( 0.000 -3.244 -13.065) 13.462 6.695 ( 0.000 -3.244 13.065) 13.462 6.855 ( -0.000 11.182 -16.045) 19.557 6.855 ( -0.000 11.182 16.045) 19.557 7.319 ( 0.000 -6.718 -11.860) 13.630 7.319 ( 0.000 -6.718 11.860) 13.630 8.061 ( 0.000 -4.486 -4.158) 6.116 8.061 ( 0.000 -4.486 4.158) 6.116 8.728 ( -0.000 18.719 -24.016) 30.449 8.728 ( -0.000 18.719 24.016) 30.449 8.901 ( -0.000 7.623 -8.910) 11.726 8.901 ( -0.000 7.623 8.910) 11.726 9.671 ( 0.000 -2.625 -1.816) 3.192 9.671 ( 0.000 -2.625 1.816) 3.192 9.764 ( -0.000 4.964 -21.770) 22.329 9.764 ( -0.000 4.964 21.770) 22.329 10.711 ( -0.000 4.532 -26.228) 26.616 10.711 ( -0.000 4.532 26.228) 26.616 11.017 ( -0.000 1.585 -17.495) 17.567 11.017 ( -0.000 1.585 17.495) 17.567 11.778 ( 0.000 -31.285 -9.983) 32.840 11.778 ( 0.000 -31.285 9.983) 32.840 12.298 ( 0.000 -7.409 -4.196) 8.514 12.298 ( 0.000 -7.409 4.196) 8.514 12.391 ( -0.000 0.726 -8.864) 8.893 12.391 ( -0.000 0.726 8.864) 8.893 13.364 ( -0.000 0.283 -6.328) 6.335 13.364 ( -0.000 0.283 6.328) 6.335 13.742 ( 0.000 -13.576 -5.205) 14.539 13.742 ( 0.000 -13.576 5.205) 14.539 20.408 ( 0.000 -1.964 -7.815) 8.059 20.408 ( 0.000 -1.964 7.815) 8.059 20.920 ( 0.000 -8.485 -5.609) 10.171 20.920 ( 0.000 -8.485 5.609) 10.171 21.120 ( -0.000 7.050 -15.245) 16.796 21.120 ( -0.000 7.050 15.245) 16.796 21.401 ( -0.000 3.803 -3.975) 5.501 21.401 ( -0.000 3.803 3.975) 5.501 21.943 ( -0.000 2.744 -10.619) 10.968 21.943 ( -0.000 2.744 10.619) 10.968 22.597 ( -0.000 0.011 -15.803) 15.803 22.597 ( -0.000 0.011 15.803) 15.803 24.612 ( -0.000 1.722 -7.672) 7.863 24.612 ( -0.000 1.722 7.672) 7.863 24.973 ( -0.000 1.146 -3.293) 3.486 24.973 ( -0.000 1.146 3.293) 3.486 25.507 ( -0.000 0.472 -5.379) 5.399 25.507 ( -0.000 0.472 5.379) 5.399 25.716 ( -0.000 10.772 -10.159) 14.807 25.716 ( -0.000 10.772 10.159) 14.807 27.182 ( 0.000 -0.661 -7.169) 7.200 27.182 ( 0.000 -0.661 7.169) 7.200 27.230 ( -0.000 0.048 -8.492) 8.493 27.230 ( -0.000 0.048 8.492) 8.493 38.228 ( -0.000 0.383 -0.809) 0.895 38.228 ( -0.000 0.383 0.809) 0.895 38.311 ( -0.000 3.281 -1.554) 3.630 38.311 ( -0.000 3.281 1.554) 3.630 38.777 ( -0.000 0.579 -0.979) 1.138 38.777 ( -0.000 0.579 0.979) 1.138 51.927 ( 0.000 -2.659 -3.454) 4.359 51.927 ( 0.000 -2.659 3.454) 4.359 53.237 ( 0.000 -4.166 -6.870) 8.035 53.237 ( 0.000 -4.166 6.870) 8.035 53.464 ( -0.000 1.814 -3.505) 3.947 53.464 ( -0.000 1.814 3.505) 3.947 54.364 ( 0.000 -7.771 -4.073) 8.774 54.364 ( 0.000 -7.771 4.073) 8.774 55.140 ( -0.000 3.717 -8.195) 8.998 55.140 ( -0.000 3.717 8.195) 8.998 56.148 ( 0.000 -14.384 -17.557) 22.697 56.148 ( 0.000 -14.384 17.557) 22.697 58.039 ( -0.000 0.227 -0.371) 0.435 58.039 ( -0.000 0.227 0.371) 0.435 58.276 ( -0.000 6.073 -4.618) 7.629 58.276 ( -0.000 6.073 4.618) 7.629 60.177 ( -0.000 0.031 -0.426) 0.427 60.177 ( -0.000 0.031 0.426) 0.427 ======================= Grid point 361 (109/124) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 14.712 -0.000 -24.242) 28.357 3.253 ( 14.712 -0.000 24.242) 28.357 3.506 ( 8.907 -0.000 -16.275) 18.553 3.506 ( 8.907 -0.000 16.275) 18.553 3.904 ( 8.689 -0.000 -9.753) 13.062 3.904 ( 8.689 -0.000 9.753) 13.062 5.745 ( -3.698 0.000 -17.531) 17.917 5.745 ( -3.698 0.000 17.531) 17.917 5.835 ( -2.644 0.000 -31.705) 31.815 5.835 ( -2.644 0.000 31.705) 31.815 6.125 ( 4.501 -0.000 -2.947) 5.380 6.125 ( 4.501 -0.000 2.947) 5.380 6.727 ( -2.267 0.000 -6.268) 6.665 6.727 ( -2.267 0.000 6.268) 6.665 6.908 ( 9.671 -0.000 -21.644) 23.706 6.908 ( 9.671 -0.000 21.644) 23.706 7.312 ( -2.677 0.000 -11.082) 11.401 7.312 ( -2.677 0.000 11.082) 11.401 7.708 ( -4.232 0.000 -2.003) 4.682 7.708 ( -4.232 0.000 2.003) 4.682 8.747 ( 4.097 -0.000 -10.029) 10.834 8.747 ( 4.097 -0.000 10.029) 10.834 9.020 ( 10.706 -0.000 -17.436) 20.461 9.020 ( 10.706 -0.000 17.436) 20.461 9.649 ( 1.361 -0.000 -6.459) 6.601 9.649 ( 1.361 -0.000 6.459) 6.601 10.008 ( 8.761 -0.000 -1.131) 8.834 10.008 ( 8.761 -0.000 1.131) 8.834 10.800 ( 4.107 -0.000 -16.896) 17.388 10.800 ( 4.107 -0.000 16.896) 17.388 11.093 ( 7.171 -0.000 -18.778) 20.101 11.093 ( 7.171 -0.000 18.778) 20.101 11.577 ( -33.128 0.000 -8.391) 34.174 11.577 ( -33.128 0.000 8.391) 34.174 12.165 ( -7.203 0.000 -3.016) 7.809 12.165 ( -7.203 0.000 3.016) 7.809 12.424 ( -0.731 0.000 -10.800) 10.825 12.424 ( -0.731 0.000 10.800) 10.825 13.384 ( 1.006 -0.000 -6.428) 6.506 13.384 ( 1.006 -0.000 6.428) 6.506 13.691 ( -14.258 0.000 -8.642) 16.672 13.691 ( -14.258 0.000 8.642) 16.672 20.377 ( -10.240 0.000 -4.293) 11.104 20.377 ( -10.240 0.000 4.293) 11.104 20.923 ( 8.730 -0.000 -20.878) 22.630 20.923 ( 8.730 -0.000 20.878) 22.630 21.247 ( -1.468 0.000 -3.546) 3.838 21.247 ( -1.468 0.000 3.546) 3.838 21.420 ( 7.013 -0.000 -5.972) 9.211 21.420 ( 7.013 -0.000 5.972) 9.211 21.872 ( -0.987 0.000 -7.296) 7.363 21.872 ( -0.987 0.000 7.296) 7.363 22.552 ( -1.438 0.000 -13.286) 13.363 22.552 ( -1.438 0.000 13.286) 13.363 24.601 ( 0.566 -0.000 -7.277) 7.299 24.601 ( 0.566 -0.000 7.277) 7.299 24.911 ( 1.969 -0.000 -1.791) 2.662 24.911 ( 1.969 -0.000 1.791) 2.662 25.570 ( 0.043 -0.000 -2.022) 2.023 25.570 ( 0.043 -0.000 2.022) 2.023 25.878 ( 14.837 -0.000 -12.029) 19.101 25.878 ( 14.837 -0.000 12.029) 19.101 27.150 ( -1.983 0.000 -8.225) 8.461 27.150 ( -1.983 0.000 8.225) 8.461 27.204 ( -1.222 0.000 -6.703) 6.814 27.204 ( -1.222 0.000 6.703) 6.814 38.234 ( 0.761 -0.000 -0.806) 1.109 38.234 ( 0.761 -0.000 0.806) 1.109 38.320 ( 2.733 -0.000 -2.100) 3.447 38.320 ( 2.733 -0.000 2.100) 3.447 38.783 ( 0.714 -0.000 -0.831) 1.095 38.783 ( 0.714 -0.000 0.831) 1.095 51.925 ( -2.271 0.000 -1.467) 2.703 51.925 ( -2.271 0.000 1.467) 2.703 53.004 ( -10.079 0.000 -7.429) 12.521 53.004 ( -10.079 0.000 7.429) 12.521 53.501 ( 0.624 -0.000 -2.782) 2.851 53.501 ( 0.624 -0.000 2.782) 2.851 54.477 ( -1.572 0.000 -3.607) 3.934 54.477 ( -1.572 0.000 3.607) 3.934 55.099 ( 1.135 -0.000 -0.091) 1.139 55.099 ( 1.135 -0.000 0.091) 1.139 56.126 ( -11.518 0.000 -18.261) 21.591 56.126 ( -11.518 0.000 18.261) 21.591 58.083 ( 0.321 -0.000 -0.298) 0.438 58.083 ( 0.321 -0.000 0.298) 0.438 58.265 ( 5.256 -0.000 -5.295) 7.460 58.265 ( 5.256 -0.000 5.295) 7.460 60.176 ( 0.012 -0.000 -0.096) 0.097 60.176 ( 0.012 -0.000 0.096) 0.097 ======================= Grid point 363 (110/124) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 11.019 -1.632 -11.462) 15.983 3.396 ( 11.019 -1.632 11.462) 15.983 3.636 ( 16.166 0.182 -14.436) 21.674 3.636 ( 16.166 0.182 14.436) 21.674 4.091 ( 16.528 -7.031 -10.444) 20.777 4.091 ( 16.528 -7.031 10.444) 20.777 5.530 ( -9.817 7.851 -8.837) 15.365 5.530 ( -9.817 7.851 8.837) 15.365 5.920 ( -0.794 6.731 -8.699) 11.028 5.920 ( -0.794 6.731 8.699) 11.028 6.169 ( 1.969 -13.015 -33.472) 35.967 6.169 ( 1.969 -13.015 33.472) 35.967 6.701 ( -5.924 -0.620 -5.059) 7.815 6.701 ( -5.924 -0.620 5.059) 7.815 6.961 ( 4.381 2.298 -12.810) 13.732 6.961 ( 4.381 2.298 12.810) 13.732 7.399 ( 1.430 -7.197 -19.804) 21.119 7.399 ( 1.430 -7.197 19.804) 21.119 7.658 ( 1.569 2.747 -10.945) 11.393 7.658 ( 1.569 2.747 10.945) 11.393 8.815 ( -2.261 -6.391 -17.093) 18.388 8.815 ( -2.261 -6.391 17.093) 18.388 9.138 ( 8.693 -1.013 -21.277) 23.007 9.138 ( 8.693 -1.013 21.277) 23.007 9.677 ( 1.421 -1.650 -10.753) 10.971 9.677 ( 1.421 -1.650 10.753) 10.971 10.087 ( 6.701 0.128 -7.572) 10.112 10.087 ( 6.701 0.128 7.572) 10.112 10.853 ( 3.679 -1.852 -19.083) 19.522 10.853 ( 3.679 -1.852 19.083) 19.522 11.128 ( -4.939 4.473 -13.790) 15.315 11.128 ( -4.939 4.473 13.790) 15.315 11.230 ( -12.255 4.410 -13.966) 19.097 11.230 ( -12.255 4.410 13.966) 19.097 12.107 ( -4.881 -0.588 -5.144) 7.116 12.107 ( -4.881 -0.588 5.144) 7.116 12.398 ( -0.643 1.918 -11.186) 11.368 12.398 ( -0.643 1.918 11.186) 11.368 13.350 ( -8.362 3.157 -14.977) 17.441 13.350 ( -8.362 3.157 14.977) 17.441 13.537 ( -6.275 1.967 -2.979) 7.219 13.537 ( -6.275 1.967 2.979) 7.219 20.288 ( -10.058 -1.348 -1.923) 10.329 20.288 ( -10.058 -1.348 1.923) 10.329 20.926 ( 6.983 8.186 -16.922) 20.053 20.926 ( 6.983 8.186 16.922) 20.053 21.200 ( -0.495 2.315 -4.087) 4.722 21.200 ( -0.495 2.315 4.087) 4.722 21.555 ( 4.211 -6.008 -2.594) 7.782 21.555 ( 4.211 -6.008 2.594) 7.782 21.874 ( -0.827 -1.478 -7.403) 7.594 21.874 ( -0.827 -1.478 7.403) 7.594 22.542 ( -0.972 -0.374 -14.332) 14.369 22.542 ( -0.972 -0.374 14.332) 14.369 24.621 ( 1.355 -1.323 -6.249) 6.530 24.621 ( 1.355 -1.323 6.249) 6.530 24.957 ( 2.728 -2.292 -2.792) 4.526 24.957 ( 2.728 -2.292 2.792) 4.526 25.550 ( -0.319 2.042 -2.354) 3.133 25.550 ( -0.319 2.042 2.354) 3.133 26.026 ( 10.369 -1.438 -12.664) 16.430 26.026 ( 10.369 -1.438 12.664) 16.430 27.132 ( -1.893 -0.341 -8.006) 8.233 27.132 ( -1.893 -0.341 8.006) 8.233 27.192 ( -1.143 -0.085 -5.799) 5.911 27.192 ( -1.143 -0.085 5.799) 5.911 38.248 ( 0.943 -0.580 -0.538) 1.231 38.248 ( 0.943 -0.580 0.538) 1.231 38.350 ( 1.996 -0.517 -2.273) 3.069 38.350 ( 1.996 -0.517 2.273) 3.069 38.792 ( 0.729 -0.246 -0.839) 1.139 38.792 ( 0.729 -0.246 0.839) 1.139 51.896 ( -1.927 0.773 -2.504) 3.252 51.896 ( -1.927 0.773 2.504) 3.252 52.913 ( -8.935 -0.608 -9.506) 13.060 52.913 ( -8.935 -0.608 9.506) 13.060 53.505 ( -0.003 -0.081 -3.533) 3.534 53.505 ( -0.003 -0.081 3.533) 3.534 54.428 ( -0.719 3.891 -2.753) 4.820 54.428 ( -0.719 3.891 2.753) 4.820 55.131 ( 1.257 -2.300 -4.189) 4.941 55.131 ( 1.257 -2.300 4.189) 4.941 55.983 ( -8.502 4.230 -19.835) 21.991 55.983 ( -8.502 4.230 19.835) 21.991 58.087 ( 0.882 -0.126 -0.116) 0.899 58.087 ( 0.882 -0.126 0.116) 0.899 58.318 ( 2.604 -0.994 -5.166) 5.870 58.318 ( 2.604 -0.994 5.166) 5.870 60.176 ( -0.029 0.035 -0.107) 0.116 60.176 ( -0.029 0.035 0.107) 0.116 ======================= Grid point 365 (111/124) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 13.836 -0.994 -0.977) 13.906 3.541 ( 13.836 -0.994 0.977) 13.906 3.805 ( 20.342 1.286 -15.604) 25.670 3.805 ( 20.342 1.286 15.604) 25.670 4.435 ( 15.912 -12.150 -5.274) 20.703 4.435 ( 15.912 -12.150 5.274) 20.703 5.330 ( -8.495 3.604 -9.107) 12.965 5.330 ( -8.495 3.604 9.107) 12.965 5.759 ( -1.827 6.202 -5.319) 8.372 5.759 ( -1.827 6.202 5.319) 8.372 6.406 ( -2.311 -7.428 -19.516) 21.010 6.406 ( -2.311 -7.428 19.516) 21.010 6.652 ( -5.203 -2.360 -2.325) 6.168 6.652 ( -5.203 -2.360 2.325) 6.168 6.913 ( -3.509 4.622 -7.811) 9.731 6.913 ( -3.509 4.622 7.811) 9.731 7.397 ( -8.171 1.898 -12.003) 14.644 7.397 ( -8.171 1.898 12.003) 14.644 7.798 ( 14.245 -9.113 -16.806) 23.841 7.798 ( 14.245 -9.113 16.806) 23.841 8.882 ( -4.912 -4.001 -24.025) 24.846 8.882 ( -4.912 -4.001 24.025) 24.846 9.194 ( 3.621 0.815 -20.536) 20.868 9.194 ( 3.621 0.815 20.536) 20.868 9.734 ( 0.950 -3.164 -13.005) 13.418 9.734 ( 0.950 -3.164 13.005) 13.418 10.113 ( 2.631 2.887 -19.445) 19.834 10.113 ( 2.631 2.887 19.445) 19.834 10.801 ( -14.928 6.137 -9.770) 18.867 10.801 ( -14.928 6.137 9.770) 18.867 11.007 ( 5.149 -5.373 -15.106) 16.840 11.007 ( 5.149 -5.373 15.106) 16.840 11.234 ( 6.363 0.714 -15.137) 16.435 11.234 ( 6.363 0.714 15.137) 16.435 12.091 ( -0.416 0.139 -8.466) 8.477 12.091 ( -0.416 0.139 8.466) 8.477 12.357 ( -0.638 1.562 -9.661) 9.807 12.357 ( -0.638 1.562 9.661) 9.807 13.109 ( -14.134 8.199 -19.143) 25.168 13.109 ( -14.134 8.199 19.143) 25.168 13.524 ( 0.990 -0.948 -0.613) 1.501 13.524 ( 0.990 -0.948 0.613) 1.501 20.222 ( -9.013 -2.072 -0.795) 9.282 20.222 ( -9.013 -2.072 0.795) 9.282 20.820 ( 5.444 10.187 -11.615) 16.381 20.820 ( 5.444 10.187 11.615) 16.381 21.171 ( 0.981 1.409 -7.177) 7.380 21.171 ( 0.981 1.409 7.177) 7.380 21.654 ( 0.488 -2.424 -0.492) 2.521 21.654 ( 0.488 -2.424 0.492) 2.521 21.913 ( -0.328 -3.639 -7.898) 8.702 21.913 ( -0.328 -3.639 7.898) 8.702 22.546 ( -0.350 -0.718 -16.041) 16.061 22.546 ( -0.350 -0.718 16.041) 16.061 24.672 ( 1.869 -2.634 -4.515) 5.551 24.672 ( 1.869 -2.634 4.515) 5.551 25.033 ( 2.740 -3.129 -3.924) 5.718 25.033 ( 2.740 -3.129 3.924) 5.718 25.493 ( -1.345 3.716 -3.370) 5.193 25.493 ( -1.345 3.716 3.370) 5.193 26.112 ( 5.287 0.568 -11.729) 12.878 26.112 ( 5.287 0.568 11.729) 12.878 27.128 ( -1.379 -0.983 -7.619) 7.805 27.128 ( -1.379 -0.983 7.619) 7.805 27.188 ( -0.719 -0.489 -4.871) 4.948 27.188 ( -0.719 -0.489 4.871) 4.948 38.273 ( 1.259 -1.006 -0.411) 1.663 38.273 ( 1.259 -1.006 0.411) 1.663 38.370 ( 0.686 -0.189 -1.750) 1.889 38.370 ( 0.686 -0.189 1.750) 1.889 38.804 ( 0.616 -0.323 -0.874) 1.118 38.804 ( 0.616 -0.323 0.874) 1.118 51.866 ( -1.056 0.895 -4.625) 4.827 51.866 ( -1.056 0.895 4.625) 4.827 52.854 ( -6.765 -1.663 -11.242) 13.226 52.854 ( -6.765 -1.663 11.242) 13.226 53.504 ( -0.591 -0.230 -3.602) 3.658 53.504 ( -0.591 -0.230 3.602) 3.658 54.343 ( 0.399 5.468 -2.849) 6.179 54.343 ( 0.399 5.468 2.849) 6.179 55.201 ( 1.347 -4.221 -7.943) 9.095 55.201 ( 1.347 -4.221 7.943) 9.095 55.828 ( -5.317 5.673 -19.971) 21.431 55.828 ( -5.317 5.673 19.971) 21.431 58.108 ( 2.020 -0.544 -0.702) 2.206 58.108 ( 2.020 -0.544 0.702) 2.206 58.341 ( -0.318 -0.341 -4.077) 4.103 58.341 ( -0.318 -0.341 4.077) 4.103 60.175 ( -0.111 0.067 -0.133) 0.186 60.175 ( -0.111 0.067 0.133) 0.186 ======================= Grid point 367 (112/124) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.685 ( 19.172 4.233 -22.376) 29.768 3.685 ( 19.172 4.233 22.376) 29.768 4.003 ( 19.058 -1.824 -7.625) 20.608 4.003 ( 19.058 -1.824 7.625) 20.608 4.739 ( 11.873 -4.969 -9.192) 15.816 4.739 ( 11.873 -4.969 9.192) 15.816 5.290 ( -5.325 -7.116 -14.722) 17.197 5.290 ( -5.325 -7.116 14.722) 17.197 5.712 ( -0.902 -2.649 -2.970) 4.081 5.712 ( -0.902 -2.649 2.970) 4.081 6.333 ( -5.462 6.948 -4.087) 9.737 6.333 ( -5.462 6.948 4.087) 9.737 6.645 ( -12.936 4.343 -10.535) 17.239 6.645 ( -12.936 4.343 10.535) 17.239 6.758 ( -2.286 0.054 -3.284) 4.001 6.758 ( -2.286 0.054 3.284) 4.001 7.292 ( -10.044 -0.789 -9.679) 13.971 7.292 ( -10.044 -0.789 9.679) 13.971 8.123 ( 12.968 -8.660 -16.054) 22.381 8.123 ( 12.968 -8.660 16.054) 22.381 8.865 ( 0.409 0.020 -18.244) 18.249 8.865 ( 0.409 0.020 18.244) 18.249 9.228 ( 0.241 -2.291 -19.482) 19.618 9.228 ( 0.241 -2.291 19.482) 19.618 9.770 ( -3.775 -1.518 -12.053) 12.721 9.770 ( -3.775 -1.518 12.053) 12.721 10.060 ( 4.298 5.346 -28.967) 29.768 10.060 ( 4.298 5.346 28.967) 29.768 10.578 ( -10.512 4.430 -14.283) 18.280 10.578 ( -10.512 4.430 14.283) 18.280 11.169 ( 2.346 -5.932 -14.827) 16.141 11.169 ( 2.346 -5.932 14.827) 16.141 11.321 ( 6.329 -4.267 -10.881) 13.292 11.321 ( 6.329 -4.267 10.881) 13.292 12.028 ( -0.676 8.177 -5.632) 9.951 12.028 ( -0.676 8.177 5.632) 9.951 12.368 ( 1.484 -3.036 -14.210) 14.607 12.368 ( 1.484 -3.036 14.210) 14.607 12.866 ( -9.077 5.272 -15.654) 18.847 12.866 ( -9.077 5.272 15.654) 18.847 13.551 ( 1.047 -0.672 -0.821) 1.491 13.551 ( 1.047 -0.672 0.821) 1.491 20.188 ( -7.029 -3.484 -2.570) 8.255 20.188 ( -7.029 -3.484 2.570) 8.255 20.702 ( 4.110 8.798 -8.826) 13.122 20.702 ( 4.110 8.798 8.826) 13.122 21.169 ( 2.911 1.105 -8.741) 9.279 21.169 ( 2.911 1.105 8.741) 9.279 21.662 ( -2.148 0.087 -2.744) 3.486 21.662 ( -2.148 0.087 2.744) 3.486 21.979 ( -0.215 -3.852 -8.552) 9.382 21.979 ( -0.215 -3.852 8.552) 9.382 22.558 ( 0.050 -0.768 -17.337) 17.354 22.558 ( 0.050 -0.768 17.337) 17.354 24.739 ( 1.782 -2.603 -2.628) 4.106 24.739 ( 1.782 -2.603 2.628) 4.106 25.115 ( 2.533 -3.239 -4.374) 6.003 25.115 ( 2.533 -3.239 4.374) 6.003 25.397 ( -2.531 4.889 -4.088) 6.857 25.397 ( -2.531 4.889 4.088) 6.857 26.122 ( 2.018 1.963 -10.785) 11.147 26.122 ( 2.018 1.963 10.785) 11.147 27.136 ( -0.863 -1.109 -7.592) 7.721 27.136 ( -0.863 -1.109 7.592) 7.721 27.195 ( -0.227 -0.902 -4.215) 4.316 27.195 ( -0.227 -0.902 4.215) 4.316 38.303 ( 1.519 -0.593 -0.673) 1.764 38.303 ( 1.519 -0.593 0.673) 1.764 38.372 ( -0.471 -0.106 -0.941) 1.057 38.372 ( -0.471 -0.106 0.941) 1.057 38.814 ( 0.395 -0.167 -0.920) 1.015 38.814 ( 0.395 -0.167 0.920) 1.015 51.845 ( -0.271 0.766 -6.944) 6.991 51.845 ( -0.271 0.766 6.944) 6.991 52.839 ( -4.168 -2.942 -12.279) 13.297 52.839 ( -4.168 -2.942 12.279) 13.297 53.503 ( -0.955 -0.591 -3.236) 3.425 53.503 ( -0.955 -0.591 3.236) 3.425 54.256 ( 1.046 5.204 -3.261) 6.230 54.256 ( 1.046 5.204 3.261) 6.230 55.301 ( 1.342 -5.745 -11.249) 12.702 55.301 ( 1.342 -5.745 11.249) 12.702 55.683 ( -3.131 6.224 -19.038) 20.273 55.683 ( -3.131 6.224 19.038) 20.273 58.139 ( 3.088 0.272 -1.295) 3.360 58.139 ( 3.088 0.272 1.295) 3.360 58.333 ( -2.331 -0.669 -2.618) 3.568 58.333 ( -2.331 -0.669 2.618) 3.568 60.172 ( -0.163 0.019 -0.160) 0.229 60.172 ( -0.163 0.019 0.160) 0.229 ======================= Grid point 369 (113/124) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( 18.355 7.662 -31.444) 37.207 3.764 ( 18.355 7.662 31.444) 37.207 4.231 ( 18.068 -1.955 -9.071) 20.312 4.231 ( 18.068 -1.955 9.071) 20.312 4.850 ( 6.831 1.758 -13.897) 15.585 4.850 ( 6.831 1.758 13.897) 15.585 5.326 ( -5.859 2.809 -13.500) 14.983 5.326 ( -5.859 2.809 13.500) 14.983 5.814 ( 0.614 -7.185 -9.312) 11.777 5.814 ( 0.614 -7.185 9.312) 11.777 6.197 ( -2.866 0.282 -5.266) 6.002 6.197 ( -2.866 0.282 5.266) 6.002 6.341 ( -20.268 3.802 -19.928) 28.677 6.341 ( -20.268 3.802 19.928) 28.677 6.834 ( 3.113 -4.799 -10.256) 11.744 6.834 ( 3.113 -4.799 10.256) 11.744 7.215 ( -9.781 -1.584 -7.932) 12.692 7.215 ( -9.781 -1.584 7.932) 12.692 8.232 ( 3.436 4.675 -6.588) 8.778 8.232 ( 3.436 4.675 6.588) 8.778 8.981 ( 8.863 -5.149 -15.185) 18.321 8.981 ( 8.863 -5.149 15.185) 18.321 9.249 ( -0.331 -0.323 -20.454) 20.459 9.249 ( -0.331 -0.323 20.454) 20.459 9.725 ( -7.185 -1.542 -9.362) 11.901 9.725 ( -7.185 -1.542 9.362) 11.901 10.038 ( 7.036 4.992 -32.963) 34.073 10.038 ( 7.036 4.992 32.963) 34.073 10.453 ( -7.438 -1.343 -12.453) 14.567 10.453 ( -7.438 -1.343 12.453) 14.567 11.247 ( -0.372 -2.488 -13.799) 14.026 11.247 ( -0.372 -2.488 13.799) 14.026 11.460 ( 3.162 -2.986 -11.607) 12.395 11.460 ( 3.162 -2.986 11.607) 12.395 11.828 ( -2.375 9.388 -10.165) 14.040 11.828 ( -2.375 9.388 10.165) 14.040 12.454 ( 2.962 -2.652 -18.963) 19.376 12.454 ( 2.962 -2.652 18.963) 19.376 12.768 ( -3.128 -1.083 -10.362) 10.878 12.768 ( -3.128 -1.083 10.362) 10.878 13.563 ( 0.533 0.230 -0.700) 0.910 13.563 ( 0.533 0.230 0.700) 0.910 20.212 ( -4.223 -5.822 -2.542) 7.628 20.212 ( -4.223 -5.822 2.542) 7.628 20.603 ( 2.324 6.108 -6.993) 9.571 20.603 ( 2.324 6.108 6.993) 9.571 21.191 ( 4.835 0.749 -9.840) 10.989 21.191 ( 4.835 0.749 9.840) 10.989 21.621 ( -3.755 0.948 -4.035) 5.593 21.621 ( -3.755 0.948 4.035) 5.593 22.033 ( -0.103 -2.473 -9.777) 10.085 22.033 ( -0.103 -2.473 9.777) 10.085 22.571 ( 0.178 -0.641 -18.138) 18.151 22.571 ( 0.178 -0.641 18.138) 18.151 24.783 ( 1.049 -0.514 -1.021) 1.551 24.783 ( 1.049 -0.514 1.021) 1.551 25.186 ( 2.363 -0.769 -3.619) 4.390 25.186 ( 2.363 -0.769 3.619) 4.390 25.295 ( -3.043 2.010 -4.547) 5.829 25.295 ( -3.043 2.010 4.547) 5.829 26.097 ( 0.468 2.143 -10.854) 11.073 26.097 ( 0.468 2.143 10.854) 11.073 27.146 ( -0.489 -0.794 -7.427) 7.486 27.146 ( -0.489 -0.794 7.427) 7.486 27.212 ( 0.111 -0.966 -4.128) 4.241 27.212 ( 0.111 -0.966 4.128) 4.241 38.309 ( 0.676 1.280 -1.366) 1.990 38.309 ( 0.676 1.280 1.366) 1.990 38.378 ( -0.264 -1.188 -1.402) 1.856 38.378 ( -0.264 -1.188 1.402) 1.856 38.817 ( 0.145 0.165 -0.977) 1.001 38.817 ( 0.145 0.165 0.977) 1.001 51.833 ( 0.083 0.474 -8.583) 8.596 51.833 ( 0.083 0.474 8.583) 8.596 52.873 ( -1.645 -4.356 -12.644) 13.474 52.873 ( -1.645 -4.356 12.644) 13.474 53.507 ( -0.925 -0.920 -3.130) 3.391 53.507 ( -0.925 -0.920 3.130) 3.391 54.188 ( 0.991 3.793 -3.373) 5.171 54.188 ( 0.991 3.793 3.373) 5.171 55.424 ( 1.227 -6.955 -14.215) 15.873 55.424 ( 1.227 -6.955 14.215) 15.873 55.550 ( -1.754 6.391 -17.641) 18.845 55.550 ( -1.754 6.391 17.641) 18.845 58.145 ( 2.372 2.418 -1.629) 3.758 58.145 ( 2.372 2.418 1.629) 3.758 58.335 ( -2.063 -2.316 -1.843) 3.608 58.335 ( -2.063 -2.316 1.843) 3.608 60.171 ( -0.137 -0.093 -0.225) 0.280 60.171 ( -0.137 -0.093 0.225) 0.280 ======================= Grid point 371 (114/124) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( 11.754 4.217 -27.264) 29.988 3.808 ( 11.754 4.217 27.264) 29.988 4.349 ( 16.445 11.319 -6.539) 21.008 4.349 ( 16.445 11.319 6.539) 21.008 4.810 ( -12.977 2.867 -12.843) 18.481 4.810 ( -12.977 2.867 12.843) 18.481 5.042 ( 4.920 21.056 -7.876) 23.013 5.042 ( 4.920 21.056 7.876) 23.013 5.881 ( -5.771 -3.277 -21.345) 22.353 5.881 ( -5.771 -3.277 21.345) 22.353 6.226 ( -7.069 -11.367 -19.720) 23.834 6.226 ( -7.069 -11.367 19.720) 23.834 6.331 ( -1.000 -10.088 -10.256) 14.420 6.331 ( -1.000 -10.088 10.256) 14.420 6.968 ( 5.541 -5.135 -10.579) 12.999 6.968 ( 5.541 -5.135 10.579) 12.999 7.158 ( -8.373 -2.367 -6.372) 10.785 7.158 ( -8.373 -2.367 6.372) 10.785 8.133 ( 1.164 7.338 -16.861) 18.425 8.133 ( 1.164 7.338 16.861) 18.425 9.053 ( 3.240 3.419 -12.350) 13.218 9.053 ( 3.240 3.419 12.350) 13.218 9.267 ( 1.396 0.356 -25.402) 25.442 9.267 ( 1.396 0.356 25.402) 25.442 9.714 ( -3.096 -2.418 -12.921) 13.505 9.714 ( -3.096 -2.418 12.921) 13.505 9.988 ( 1.158 5.493 -40.837) 41.221 9.988 ( 1.158 5.493 40.837) 41.221 10.519 ( -1.057 -11.582 -15.610) 19.467 10.519 ( -1.057 -11.582 15.610) 19.467 11.247 ( -0.510 2.030 -13.629) 13.789 11.247 ( -0.510 2.030 13.629) 13.789 11.345 ( -1.559 14.507 -20.663) 25.295 11.345 ( -1.559 14.507 20.663) 25.295 11.828 ( 0.522 -8.394 -5.942) 10.297 11.828 ( 0.522 -8.394 5.942) 10.297 12.483 ( 1.127 1.534 -18.932) 19.027 12.483 ( 1.127 1.534 18.932) 19.027 12.842 ( 0.278 -8.806 -9.860) 13.223 12.842 ( 0.278 -8.806 9.860) 13.223 13.555 ( 0.130 0.967 -0.658) 1.177 13.555 ( 0.130 0.967 0.658) 1.177 20.294 ( -1.499 -6.053 -1.022) 6.319 20.294 ( -1.499 -6.053 1.022) 6.319 20.551 ( 0.703 0.923 -4.415) 4.564 20.551 ( 0.703 0.923 4.415) 4.564 21.233 ( 5.036 0.477 -11.167) 12.259 21.233 ( 5.036 0.477 11.167) 12.259 21.560 ( -4.079 1.551 -4.144) 6.018 21.560 ( -4.079 1.551 4.144) 6.018 22.057 ( -0.004 -0.300 -11.003) 11.007 22.057 ( -0.004 -0.300 11.003) 11.007 22.583 ( 0.186 -0.531 -18.655) 18.664 22.583 ( 0.186 -0.531 18.655) 18.664 24.773 ( 0.212 2.267 -1.265) 2.605 24.773 ( 0.212 2.267 1.265) 2.605 25.134 ( -0.339 5.089 -3.325) 6.088 25.134 ( -0.339 5.089 3.325) 6.088 25.332 ( -0.133 -5.362 -4.337) 6.898 25.332 ( -0.133 -5.362 4.337) 6.898 26.058 ( -0.193 2.705 -11.558) 11.872 26.058 ( -0.193 2.705 11.558) 11.872 27.153 ( -0.196 -0.515 -7.208) 7.229 27.153 ( -0.196 -0.515 7.208) 7.229 27.228 ( 0.204 -0.639 -5.312) 5.354 27.228 ( 0.204 -0.639 5.312) 5.354 38.283 ( -0.048 1.699 -1.389) 2.195 38.283 ( -0.048 1.699 1.389) 2.195 38.396 ( 0.086 -0.590 -1.653) 1.757 38.396 ( 0.086 -0.590 1.653) 1.757 38.811 ( -0.013 0.500 -1.037) 1.152 38.811 ( -0.013 0.500 1.037) 1.152 51.832 ( 0.115 -0.264 -8.989) 8.994 51.832 ( 0.115 -0.264 8.989) 8.994 52.952 ( 0.066 -5.532 -12.403) 13.581 52.952 ( 0.066 -5.532 12.403) 13.581 53.514 ( -0.563 -0.648 -3.728) 3.825 53.514 ( -0.563 -0.648 3.728) 3.825 54.150 ( 0.482 1.258 -3.029) 3.316 54.150 ( 0.482 1.258 3.029) 3.316 55.424 ( -0.653 6.446 -16.012) 17.273 55.424 ( -0.653 6.446 16.012) 17.273 55.569 ( 0.717 -8.347 -16.811) 18.783 55.569 ( 0.717 -8.347 16.811) 18.783 58.111 ( 0.671 2.839 -1.481) 3.272 58.111 ( 0.671 2.839 1.481) 3.272 58.363 ( -0.616 -2.051 -2.929) 3.628 58.363 ( -0.616 -2.051 2.929) 3.628 60.173 ( -0.059 -0.172 -0.370) 0.412 60.173 ( -0.059 -0.172 0.370) 0.412 ======================= Grid point 373 (115/124) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.841 ( -0.000 0.344 -17.289) 17.293 3.841 ( -0.000 0.344 17.289) 17.293 4.127 ( -0.000 21.508 -16.753) 27.263 4.127 ( -0.000 21.508 16.753) 27.263 4.384 ( -0.000 28.062 -11.423) 30.298 4.384 ( -0.000 28.062 11.423) 30.298 4.996 ( 0.000 -5.523 -12.528) 13.691 4.996 ( 0.000 -5.523 12.528) 13.691 5.891 ( 0.000 -1.908 -25.775) 25.845 5.891 ( 0.000 -1.908 25.775) 25.845 6.427 ( 0.000 -12.022 -14.158) 18.574 6.427 ( 0.000 -12.022 14.158) 18.574 6.469 ( 0.000 -6.008 -13.442) 14.724 6.469 ( 0.000 -6.008 13.442) 14.724 7.073 ( 0.000 -0.240 -9.756) 9.759 7.073 ( 0.000 -0.240 9.756) 9.759 7.144 ( 0.000 -3.243 -5.691) 6.551 7.144 ( 0.000 -3.243 5.691) 6.551 8.040 ( -0.000 3.668 -14.634) 15.086 8.040 ( -0.000 3.668 14.634) 15.086 9.021 ( -0.000 1.403 -5.771) 5.939 9.021 ( -0.000 1.403 5.771) 5.939 9.202 ( -0.000 7.481 -26.311) 27.354 9.202 ( -0.000 7.481 26.311) 27.354 9.703 ( -0.000 2.450 -9.215) 9.535 9.703 ( -0.000 2.450 9.215) 9.535 9.905 ( -0.000 3.848 -41.215) 41.394 9.905 ( -0.000 3.848 41.215) 41.394 10.798 ( 0.000 -18.778 -16.090) 24.729 10.798 ( 0.000 -18.778 16.090) 24.729 11.076 ( -0.000 12.543 -28.510) 31.147 11.076 ( -0.000 12.543 28.510) 31.147 11.176 ( -0.000 5.610 -17.148) 18.043 11.176 ( -0.000 5.610 17.148) 18.043 12.000 ( 0.000 -9.890 -0.956) 9.936 12.000 ( 0.000 -9.890 0.956) 9.936 12.448 ( -0.000 2.567 -16.011) 16.216 12.448 ( -0.000 2.567 16.011) 16.216 13.052 ( 0.000 -14.372 -11.994) 18.720 13.052 ( 0.000 -14.372 11.994) 18.720 13.539 ( -0.000 0.726 -1.548) 1.710 13.539 ( -0.000 0.726 1.548) 1.710 20.354 ( 0.000 -1.782 -5.102) 5.405 20.354 ( 0.000 -1.782 5.102) 5.405 20.613 ( 0.000 -7.305 -0.940) 7.365 20.613 ( 0.000 -7.305 0.940) 7.365 21.251 ( -0.000 1.226 -12.720) 12.779 21.251 ( -0.000 1.226 12.720) 12.779 21.501 ( -0.000 2.200 -3.535) 4.163 21.501 ( -0.000 2.200 3.535) 4.163 22.043 ( -0.000 1.931 -11.783) 11.940 22.043 ( -0.000 1.931 11.783) 11.940 22.592 ( 0.000 -0.364 -18.605) 18.609 22.592 ( 0.000 -0.364 18.605) 18.609 24.720 ( -0.000 3.619 -2.958) 4.674 24.720 ( -0.000 3.619 2.958) 4.674 25.054 ( -0.000 3.771 -3.366) 5.055 25.054 ( -0.000 3.771 3.366) 5.055 25.422 ( 0.000 -4.685 -4.330) 6.380 25.422 ( 0.000 -4.685 4.330) 6.380 25.994 ( -0.000 4.671 -12.170) 13.036 25.994 ( -0.000 4.671 12.170) 13.036 27.161 ( 0.000 -0.486 -7.080) 7.096 27.161 ( 0.000 -0.486 7.080) 7.096 27.235 ( 0.000 -0.071 -6.853) 6.854 27.235 ( 0.000 -0.071 6.853) 6.854 38.256 ( -0.000 1.314 -1.320) 1.863 38.256 ( -0.000 1.314 1.320) 1.863 38.393 ( -0.000 0.957 -1.961) 2.182 38.393 ( -0.000 0.957 1.961) 2.182 38.801 ( -0.000 0.679 -1.073) 1.270 38.801 ( -0.000 0.679 1.073) 1.270 51.847 ( 0.000 -1.431 -8.024) 8.151 51.847 ( 0.000 -1.431 8.024) 8.151 53.055 ( 0.000 -5.915 -11.362) 12.810 53.055 ( 0.000 -5.915 11.362) 12.810 53.513 ( -0.000 0.456 -4.306) 4.330 53.513 ( -0.000 0.456 4.306) 4.330 54.161 ( 0.000 -2.485 -2.455) 3.493 54.161 ( 0.000 -2.485 2.455) 3.493 55.313 ( -0.000 6.009 -14.004) 15.239 55.313 ( -0.000 6.009 14.004) 15.239 55.730 ( 0.000 -9.920 -18.864) 21.314 55.730 ( 0.000 -9.920 18.864) 21.314 58.071 ( -0.000 1.914 -1.079) 2.197 58.071 ( -0.000 1.914 1.079) 2.197 58.380 ( -0.000 0.046 -4.101) 4.101 58.380 ( -0.000 0.046 4.101) 4.101 60.175 ( 0.000 -0.142 -0.495) 0.515 60.175 ( 0.000 -0.142 0.495) 0.515 ======================= Grid point 383 (116/124) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( 15.803 -0.000 -5.435) 16.712 3.528 ( 15.803 -0.000 5.435) 16.712 3.776 ( 14.591 -0.000 -10.927) 18.229 3.776 ( 14.591 -0.000 10.927) 18.229 4.229 ( 20.996 -0.000 -6.921) 22.108 4.229 ( 20.996 -0.000 6.921) 22.108 5.544 ( -9.138 0.000 -1.309) 9.231 5.544 ( -9.138 0.000 1.309) 9.231 5.888 ( 4.120 -0.000 -28.968) 29.259 5.888 ( 4.120 -0.000 28.968) 29.259 6.102 ( -7.241 0.000 -1.232) 7.345 6.102 ( -7.241 0.000 1.232) 7.345 6.640 ( -4.354 0.000 -7.721) 8.864 6.640 ( -4.354 0.000 7.721) 8.864 6.993 ( -3.092 0.000 -5.482) 6.294 6.993 ( -3.092 0.000 5.482) 6.294 7.384 ( 8.457 -0.000 -25.630) 26.990 7.384 ( 8.457 -0.000 25.630) 26.990 7.721 ( 4.693 -0.000 -9.728) 10.801 7.721 ( 4.693 -0.000 9.728) 10.801 8.693 ( -8.428 0.000 -11.621) 14.356 8.693 ( -8.428 0.000 11.621) 14.356 9.224 ( 9.063 -0.000 -23.083) 24.799 9.224 ( 9.063 -0.000 23.083) 24.799 9.666 ( -0.216 0.000 -14.197) 14.199 9.666 ( -0.216 0.000 14.197) 14.199 10.150 ( 4.997 -0.000 -8.432) 9.802 10.150 ( 4.997 -0.000 8.432) 9.802 10.853 ( -5.823 0.000 -19.355) 20.212 10.853 ( -5.823 0.000 19.355) 20.212 11.011 ( -11.651 0.000 -6.602) 13.392 11.011 ( -11.651 0.000 6.602) 13.392 11.283 ( 7.257 -0.000 -16.815) 18.314 11.283 ( 7.257 -0.000 16.815) 18.314 12.058 ( -2.631 0.000 -6.442) 6.959 12.058 ( -2.631 0.000 6.442) 6.959 12.409 ( -0.714 0.000 -13.628) 13.647 12.409 ( -0.714 0.000 13.628) 13.647 13.262 ( -15.605 0.000 -19.508) 24.981 13.262 ( -15.605 0.000 19.508) 24.981 13.510 ( -1.019 0.000 -0.891) 1.354 13.510 ( -1.019 0.000 0.891) 1.354 20.185 ( -8.325 0.000 -0.480) 8.339 20.185 ( -8.325 0.000 0.480) 8.339 21.068 ( 5.331 -0.000 -20.166) 20.858 21.068 ( 5.331 -0.000 20.166) 20.858 21.210 ( -2.181 0.000 -6.193) 6.566 21.210 ( -2.181 0.000 6.193) 6.566 21.538 ( 4.837 -0.000 -5.981) 7.692 21.538 ( 4.837 -0.000 5.981) 7.692 21.854 ( -0.787 0.000 -6.112) 6.162 21.854 ( -0.787 0.000 6.112) 6.162 22.531 ( -0.595 0.000 -13.946) 13.959 22.531 ( -0.595 0.000 13.946) 13.959 24.621 ( 1.277 -0.000 -6.991) 7.107 24.621 ( 1.277 -0.000 6.991) 7.107 24.969 ( 3.469 -0.000 -3.050) 4.619 24.969 ( 3.469 -0.000 3.050) 4.619 25.566 ( -0.435 0.000 -0.780) 0.893 25.566 ( -0.435 0.000 0.780) 0.893 26.115 ( 8.861 -0.000 -12.762) 15.537 26.115 ( 8.861 -0.000 12.762) 15.537 27.110 ( -1.948 0.000 -8.709) 8.924 27.110 ( -1.948 0.000 8.709) 8.924 27.179 ( -1.290 0.000 -5.565) 5.712 27.179 ( -1.290 0.000 5.565) 5.712 38.251 ( 0.831 -0.000 -0.718) 1.098 38.251 ( 0.831 -0.000 0.718) 1.098 38.367 ( 1.905 -0.000 -2.959) 3.519 38.367 ( 1.905 -0.000 2.959) 3.519 38.797 ( 0.717 -0.000 -0.801) 1.075 38.797 ( 0.717 -0.000 0.801) 1.075 51.882 ( -1.922 0.000 -1.847) 2.666 51.882 ( -1.922 0.000 1.847) 2.666 52.821 ( -7.986 0.000 -11.266) 13.809 52.821 ( -7.986 0.000 11.266) 13.809 53.504 ( -0.179 0.000 -4.493) 4.497 53.504 ( -0.179 0.000 4.493) 4.497 54.455 ( -0.599 0.000 -1.986) 2.074 54.455 ( -0.599 0.000 1.986) 2.074 55.122 ( 1.121 -0.000 -0.292) 1.158 55.122 ( 1.121 -0.000 0.292) 1.158 55.937 ( -7.472 0.000 -20.132) 21.474 55.937 ( -7.472 0.000 20.132) 21.474 58.089 ( 0.325 -0.000 -0.187) 0.375 58.089 ( 0.325 -0.000 0.187) 0.375 58.340 ( 2.413 -0.000 -5.466) 5.975 58.340 ( 2.413 -0.000 5.466) 5.975 60.176 ( -0.012 0.000 -0.042) 0.044 60.176 ( -0.012 0.000 0.042) 0.044 ======================= Grid point 385 (117/124) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.668 ( 13.175 -0.035 -7.818) 15.320 3.668 ( 13.175 -0.035 7.818) 15.320 3.978 ( 18.514 -3.694 -17.310) 25.614 3.978 ( 18.514 -3.694 17.310) 25.614 4.476 ( 18.966 -5.396 -0.881) 19.738 4.476 ( 18.966 -5.396 0.881) 19.738 5.350 ( -4.752 9.941 -11.600) 15.999 5.350 ( -4.752 9.941 11.600) 15.999 5.882 ( -4.478 8.209 -13.226) 16.198 5.882 ( -4.478 8.209 13.226) 16.198 6.171 ( 0.221 -15.751 -20.844) 26.127 6.171 ( 0.221 -15.751 20.844) 26.127 6.600 ( -3.238 0.590 -8.683) 9.286 6.600 ( -3.238 0.590 8.683) 9.286 6.912 ( -9.317 1.764 -2.174) 9.728 6.912 ( -9.317 1.764 2.174) 9.728 7.421 ( 0.509 5.650 -19.769) 20.567 7.421 ( 0.509 5.650 19.769) 20.567 7.801 ( 9.453 -4.111 -15.114) 18.295 7.801 ( 9.453 -4.111 15.114) 18.295 8.692 ( -7.679 -9.327 -13.218) 17.907 8.692 ( -7.679 -9.327 13.218) 17.907 9.276 ( 4.582 3.038 -22.678) 23.335 9.276 ( 4.582 3.038 22.678) 23.335 9.682 ( -0.834 -2.632 -17.327) 17.545 9.682 ( -0.834 -2.632 17.327) 17.545 10.178 ( 2.910 1.388 -13.098) 13.489 10.178 ( 2.910 1.388 13.098) 13.489 10.693 ( -17.171 0.933 -4.431) 17.758 10.693 ( -17.171 0.933 4.431) 17.758 11.028 ( 8.276 -0.391 -15.567) 17.635 11.028 ( 8.276 -0.391 15.567) 17.635 11.322 ( 4.615 2.022 -13.428) 14.343 11.322 ( 4.615 2.022 13.428) 14.343 12.072 ( 1.699 -2.216 -11.991) 12.312 12.072 ( 1.699 -2.216 11.991) 12.312 12.384 ( -0.973 1.938 -13.892) 14.060 12.384 ( -0.973 1.938 13.892) 14.060 13.059 ( -16.587 3.879 -21.457) 27.397 13.059 ( -16.587 3.879 21.457) 27.397 13.520 ( 1.140 -0.729 -0.593) 1.477 13.520 ( 1.140 -0.729 0.593) 1.477 20.119 ( -6.575 -0.835 -1.711) 6.845 20.119 ( -6.575 -0.835 1.711) 6.845 21.036 ( 4.025 8.085 -16.033) 18.402 21.036 ( 4.025 8.085 16.033) 18.402 21.182 ( -1.191 0.179 -5.206) 5.343 21.182 ( -1.191 0.179 5.206) 5.343 21.615 ( 1.976 -2.950 -3.482) 4.973 21.615 ( 1.976 -2.950 3.482) 4.973 21.862 ( -0.396 -1.828 -5.960) 6.247 21.862 ( -0.396 -1.828 5.960) 6.247 22.532 ( -0.138 -0.538 -14.969) 14.980 22.532 ( -0.138 -0.538 14.969) 14.980 24.649 ( 1.361 -1.756 -6.502) 6.871 24.649 ( 1.361 -1.756 6.502) 6.871 25.019 ( 3.144 -1.776 -3.934) 5.340 25.019 ( 3.144 -1.776 3.934) 5.340 25.538 ( -0.828 2.529 -1.681) 3.148 25.538 ( -0.828 2.529 1.681) 3.148 26.180 ( 5.319 0.960 -11.935) 13.101 26.180 ( 5.319 0.960 11.935) 13.101 27.098 ( -1.471 -0.713 -8.567) 8.722 27.098 ( -1.471 -0.713 8.567) 8.722 27.171 ( -1.008 -0.445 -4.897) 5.019 27.171 ( -1.008 -0.445 4.897) 5.019 38.266 ( 0.835 -0.834 -0.657) 1.351 38.266 ( 0.835 -0.834 0.657) 1.351 38.381 ( 1.117 0.235 -2.831) 3.052 38.381 ( 1.117 0.235 2.831) 3.052 38.806 ( 0.589 -0.192 -0.809) 1.018 38.806 ( 0.589 -0.192 0.809) 1.018 51.863 ( -1.292 0.225 -2.714) 3.014 51.863 ( -1.292 0.225 2.714) 3.014 52.761 ( -6.063 -1.290 -12.821) 14.241 52.761 ( -6.063 -1.290 12.821) 14.241 53.499 ( -0.388 0.171 -4.823) 4.841 53.499 ( -0.388 0.171 4.823) 4.841 54.422 ( -0.017 3.244 -2.117) 3.873 54.422 ( -0.017 3.244 2.117) 3.873 55.154 ( 1.001 -2.436 -4.196) 4.954 55.154 ( 1.001 -2.436 4.196) 4.954 55.848 ( -5.081 2.774 -20.125) 20.941 55.848 ( -5.081 2.774 20.125) 20.941 58.104 ( 0.749 -1.240 -0.085) 1.451 58.104 ( 0.749 -1.240 0.085) 1.451 58.351 ( 0.805 0.833 -4.875) 5.011 58.351 ( 0.805 0.833 4.875) 5.011 60.175 ( -0.048 0.100 -0.056) 0.124 60.175 ( -0.048 0.100 0.056) 0.124 ======================= Grid point 387 (118/124) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 10.240 -3.489 -7.184) 12.986 3.816 ( 10.240 -3.489 7.184) 12.986 4.219 ( 20.828 -0.684 -8.877) 22.652 4.219 ( 20.828 -0.684 8.877) 22.652 4.756 ( 9.066 -7.716 -8.088) 14.393 4.756 ( 9.066 -7.716 8.088) 14.393 5.204 ( 3.774 3.242 -19.459) 20.085 5.204 ( 3.774 3.242 19.459) 20.085 5.713 ( -3.849 4.265 -10.976) 12.389 5.713 ( -3.849 4.265 10.976) 12.389 6.345 ( -3.095 -1.725 -9.339) 9.989 6.345 ( -3.095 -1.725 9.339) 9.989 6.559 ( -7.298 0.924 -2.472) 7.760 6.559 ( -7.298 0.924 2.472) 7.760 6.762 ( -7.666 2.410 -5.514) 9.746 6.762 ( -7.666 2.410 5.514) 9.746 7.255 ( -5.385 6.772 -11.792) 14.626 7.255 ( -5.385 6.772 11.792) 14.626 8.034 ( 6.982 -11.316 -19.396) 23.516 8.034 ( 6.982 -11.316 19.396) 23.516 8.827 ( 1.675 -8.444 -19.469) 21.287 8.827 ( 1.675 -8.444 19.469) 21.287 9.219 ( -1.503 3.532 -20.269) 20.630 9.219 ( -1.503 3.532 20.269) 20.630 9.716 ( -1.909 -1.532 -17.876) 18.042 9.716 ( -1.909 -1.532 17.876) 18.042 10.166 ( 3.057 2.531 -19.030) 19.439 10.166 ( 3.057 2.531 19.030) 19.439 10.531 ( -11.107 2.206 -15.230) 18.979 10.531 ( -11.107 2.206 15.230) 18.979 11.124 ( 4.981 -2.102 -17.536) 18.350 11.124 ( 4.981 -2.102 17.536) 18.350 11.339 ( 3.744 -0.345 -10.641) 11.286 11.339 ( 3.744 -0.345 10.641) 11.286 12.134 ( 4.231 1.508 -14.543) 15.221 12.134 ( 4.231 1.508 14.543) 15.221 12.338 ( -1.588 -0.108 -11.793) 11.900 12.338 ( -1.588 -0.108 11.793) 11.900 12.843 ( -11.220 3.945 -18.922) 22.350 12.843 ( -11.220 3.945 18.922) 22.350 13.547 ( 0.991 -0.973 -0.846) 1.626 13.547 ( 0.991 -0.973 0.846) 1.626 20.083 ( -4.766 -1.698 -3.765) 6.307 20.083 ( -4.766 -1.698 3.765) 6.307 20.908 ( 3.200 10.202 -12.196) 16.219 20.908 ( 3.200 10.202 12.196) 16.219 21.185 ( 0.428 -0.945 -7.794) 7.863 21.185 ( 0.428 -0.945 7.794) 7.863 21.646 ( -0.831 -0.120 -2.921) 3.039 21.646 ( -0.831 -0.120 2.921) 3.039 21.910 ( -0.087 -3.690 -6.648) 7.604 21.910 ( -0.087 -3.690 6.648) 7.604 22.545 ( 0.136 -0.834 -16.549) 16.570 22.545 ( 0.136 -0.834 16.549) 16.570 24.705 ( 1.250 -2.955 -5.012) 5.951 24.705 ( 1.250 -2.955 5.012) 5.951 25.086 ( 2.286 -2.736 -4.981) 6.125 25.086 ( 2.286 -2.736 4.981) 6.125 25.464 ( -1.392 4.749 -2.819) 5.695 25.464 ( -1.392 4.749 2.819) 5.695 26.184 ( 2.201 2.628 -10.755) 11.288 26.184 ( 2.201 2.628 10.755) 11.288 27.105 ( -0.801 -1.346 -8.300) 8.447 27.105 ( -0.801 -1.346 8.300) 8.447 27.175 ( -0.489 -0.960 -4.366) 4.497 27.175 ( -0.489 -0.960 4.366) 4.497 38.296 ( 0.940 -1.510 -0.778) 1.942 38.296 ( 0.940 -1.510 0.778) 1.942 38.378 ( 0.129 0.864 -2.216) 2.382 38.378 ( 0.129 0.864 2.216) 2.382 38.814 ( 0.376 -0.216 -0.852) 0.956 38.814 ( 0.376 -0.216 0.852) 0.956 51.850 ( -0.501 0.261 -4.736) 4.770 51.850 ( -0.501 0.261 4.736) 4.770 52.747 ( -3.774 -2.735 -13.771) 14.539 52.747 ( -3.774 -2.735 13.771) 14.539 53.491 ( -0.541 0.119 -4.442) 4.477 53.491 ( -0.541 0.119 4.442) 4.477 54.353 ( 0.483 4.791 -2.914) 5.628 54.353 ( 0.483 4.791 2.914) 5.628 55.223 ( 0.823 -4.417 -7.952) 9.133 55.223 ( 0.823 -4.417 7.952) 9.133 55.746 ( -2.809 4.443 -19.566) 20.260 55.746 ( -2.809 4.443 19.566) 20.260 58.148 ( 1.801 -2.277 -0.647) 2.975 58.148 ( 1.801 -2.277 0.647) 2.975 58.325 ( -1.085 1.905 -3.819) 4.404 58.325 ( -1.085 1.905 3.819) 4.404 60.172 ( -0.092 0.141 -0.101) 0.197 60.172 ( -0.092 0.141 0.101) 0.197 ======================= Grid point 389 (119/124) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 6.044 -1.099 -22.058) 22.897 3.951 ( 6.044 -1.099 22.058) 22.897 4.421 ( 22.079 0.953 -13.285) 25.785 4.421 ( 22.079 0.953 13.285) 25.785 4.810 ( -12.560 -2.344 -10.771) 16.711 4.810 ( -12.560 -2.344 10.771) 16.711 5.388 ( 21.441 -6.190 -21.616) 31.069 5.388 ( 21.441 -6.190 21.616) 31.069 5.693 ( -2.766 -5.512 -6.787) 9.170 5.693 ( -2.766 -5.512 6.787) 9.170 6.163 ( -18.668 12.183 -8.970) 24.029 6.163 ( -18.668 12.183 8.970) 24.029 6.326 ( -6.384 7.720 -6.887) 12.157 6.326 ( -6.384 7.720 6.887) 12.157 6.794 ( 2.822 -4.211 -5.257) 7.303 6.794 ( 2.822 -4.211 5.257) 7.303 7.134 ( -5.127 1.545 -9.741) 11.116 7.134 ( -5.127 1.545 9.741) 11.116 8.246 ( 1.081 -6.081 -15.354) 16.550 8.246 ( 1.081 -6.081 15.354) 16.550 8.998 ( 11.003 -4.069 -19.090) 22.406 8.998 ( 11.003 -4.069 19.090) 22.406 9.183 ( -5.662 -4.093 -20.077) 21.258 9.183 ( -5.662 -4.093 20.077) 21.258 9.670 ( -4.075 2.667 -10.479) 11.556 9.670 ( -4.075 2.667 10.479) 11.556 10.189 ( 7.736 1.264 -20.669) 22.105 10.189 ( 7.736 1.264 20.669) 22.105 10.375 ( -9.483 3.618 -20.573) 22.940 10.375 ( -9.483 3.618 20.573) 22.940 11.192 ( 0.389 -3.120 -14.656) 14.990 11.192 ( 0.389 -3.120 14.656) 14.990 11.416 ( 2.571 -4.074 -8.640) 9.892 11.416 ( 2.571 -4.074 8.640) 9.892 12.016 ( -0.482 12.141 -9.107) 15.185 12.016 ( -0.482 12.141 9.107) 15.185 12.411 ( 2.011 -5.517 -20.542) 21.364 12.411 ( 2.011 -5.517 20.542) 21.364 12.726 ( -4.265 0.624 -12.222) 12.960 12.726 ( -4.265 0.624 12.222) 12.960 13.567 ( 0.446 -0.411 -0.935) 1.115 13.567 ( 0.446 -0.411 0.935) 1.115 20.092 ( -2.475 -3.762 -4.503) 6.368 20.092 ( -2.475 -3.762 4.503) 6.368 20.761 ( 1.631 9.364 -9.669) 13.559 20.761 ( 1.631 9.364 9.669) 13.559 21.218 ( 1.592 -1.380 -9.484) 9.715 21.218 ( 1.592 -1.380 9.484) 9.715 21.617 ( -1.629 1.639 -3.984) 4.606 21.617 ( -1.629 1.639 3.984) 4.606 21.976 ( -0.073 -3.824 -8.158) 9.010 21.976 ( -0.073 -3.824 8.158) 9.010 22.560 ( 0.121 -0.779 -17.723) 17.741 22.560 ( 0.121 -0.779 17.723) 17.741 24.765 ( 0.748 -2.533 -3.021) 4.012 24.765 ( 0.748 -2.533 3.021) 4.012 25.158 ( 1.416 -3.480 -5.313) 6.507 25.158 ( 1.416 -3.480 5.313) 6.507 25.353 ( -1.502 6.088 -3.272) 7.073 25.353 ( -1.502 6.088 3.272) 7.073 26.147 ( 0.565 2.954 -10.289) 10.719 26.147 ( 0.565 2.954 10.289) 10.719 27.123 ( -0.325 -1.284 -8.031) 8.139 27.123 ( -0.325 -1.284 8.031) 8.139 27.192 ( -0.091 -1.234 -4.064) 4.249 27.192 ( -0.091 -1.234 4.064) 4.249 38.332 ( 1.313 -0.869 -0.513) 1.656 38.332 ( 1.313 -0.869 0.513) 1.656 38.357 ( -0.927 0.554 -0.976) 1.456 38.357 ( -0.927 0.554 0.976) 1.456 38.819 ( 0.147 -0.035 -0.916) 0.929 38.819 ( 0.147 -0.035 0.916) 0.929 51.842 ( -0.051 0.423 -6.950) 6.963 51.842 ( -0.051 0.423 6.950) 6.963 52.781 ( -1.533 -4.162 -14.041) 14.725 52.781 ( -1.533 -4.162 14.041) 14.725 53.488 ( -0.428 -0.361 -3.765) 3.806 53.488 ( -0.428 -0.361 3.765) 3.806 54.273 ( 0.475 4.887 -3.413) 5.980 54.273 ( 0.475 4.887 3.413) 5.980 55.320 ( 0.518 -5.957 -11.275) 12.762 55.320 ( 0.518 -5.957 11.275) 12.762 55.640 ( -1.134 5.580 -18.648) 19.498 55.640 ( -1.134 5.580 18.648) 19.498 58.206 ( 3.544 -0.226 -1.625) 3.905 58.206 ( 3.544 -0.226 1.625) 3.905 58.276 ( -3.292 0.073 -2.173) 3.945 58.276 ( -3.292 0.073 2.173) 3.945 60.170 ( -0.076 0.047 -0.111) 0.143 60.170 ( -0.076 0.047 0.111) 0.143 ======================= Grid point 391 (120/124) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( -0.000 4.688 -28.263) 28.649 3.947 ( -0.000 4.688 28.263) 28.649 4.627 ( 0.000 -4.235 -13.501) 14.150 4.627 ( 0.000 -4.235 13.501) 14.150 4.660 ( -0.000 5.277 -9.004) 10.436 4.660 ( -0.000 5.277 9.004) 10.436 5.532 ( -0.000 22.435 -7.550) 23.671 5.532 ( -0.000 22.435 7.550) 23.671 5.752 ( 0.000 -6.365 -23.070) 23.932 5.752 ( 0.000 -6.365 23.070) 23.932 5.919 ( 0.000 -12.766 -23.452) 26.701 5.919 ( 0.000 -12.766 23.452) 26.701 6.240 ( 0.000 -0.610 -6.356) 6.385 6.240 ( 0.000 -0.610 6.356) 6.385 6.898 ( 0.000 -5.723 -7.429) 9.378 6.898 ( 0.000 -5.723 7.429) 9.378 7.092 ( 0.000 -0.080 -7.731) 7.732 7.092 ( 0.000 -0.080 7.731) 7.732 8.250 ( -0.000 4.689 -9.742) 10.812 8.250 ( -0.000 4.689 9.742) 10.812 9.112 ( 0.000 -0.165 -16.409) 16.409 9.112 ( 0.000 -0.165 16.409) 16.409 9.245 ( 0.000 -4.644 -25.929) 26.342 9.245 ( 0.000 -4.644 25.929) 26.342 9.624 ( 0.000 -2.310 -5.740) 6.187 9.624 ( 0.000 -2.310 5.740) 6.187 10.139 ( -0.000 9.662 -40.979) 42.102 10.139 ( -0.000 9.662 40.979) 42.102 10.350 ( 0.000 -7.081 -15.519) 17.058 10.350 ( 0.000 -7.081 15.519) 17.058 11.242 ( 0.000 -2.022 -12.771) 12.930 11.242 ( 0.000 -2.022 12.771) 12.930 11.489 ( 0.000 -0.334 -10.199) 10.205 11.489 ( 0.000 -0.334 10.199) 10.205 11.804 ( -0.000 8.363 -11.307) 14.064 11.804 ( -0.000 8.363 11.307) 14.064 12.491 ( 0.000 -1.840 -21.331) 21.410 12.491 ( 0.000 -1.840 21.331) 21.410 12.733 ( 0.000 -3.734 -9.178) 9.908 12.733 ( 0.000 -3.734 9.178) 9.908 13.569 ( -0.000 0.422 -0.537) 0.683 13.569 ( -0.000 0.422 0.537) 0.683 20.169 ( 0.000 -6.420 -3.341) 7.237 20.169 ( 0.000 -6.420 3.341) 7.237 20.627 ( -0.000 6.680 -7.584) 10.106 20.627 ( -0.000 6.680 7.584) 10.106 21.251 ( 0.000 -1.018 -10.717) 10.765 21.251 ( 0.000 -1.018 10.717) 10.765 21.572 ( -0.000 2.121 -4.215) 4.718 21.572 ( -0.000 2.121 4.215) 4.718 22.032 ( 0.000 -2.527 -9.827) 10.147 22.032 ( 0.000 -2.527 9.827) 10.147 22.573 ( 0.000 -0.671 -18.419) 18.432 22.573 ( 0.000 -0.671 18.419) 18.432 24.794 ( 0.000 -0.168 -1.244) 1.255 24.794 ( 0.000 -0.168 1.244) 1.255 25.234 ( -0.000 6.330 -3.268) 7.124 25.234 ( -0.000 6.330 3.268) 7.124 25.238 ( 0.000 -4.905 -4.881) 6.920 25.238 ( 0.000 -4.905 4.881) 6.920 26.102 ( -0.000 2.542 -10.766) 11.062 26.102 ( -0.000 2.542 10.766) 11.062 27.141 ( 0.000 -0.866 -7.610) 7.659 27.141 ( 0.000 -0.866 7.610) 7.659 27.213 ( 0.000 -1.126 -4.319) 4.464 27.213 ( 0.000 -1.126 4.319) 4.464 38.316 ( -0.000 1.996 -1.599) 2.557 38.316 ( -0.000 1.996 1.599) 2.557 38.375 ( 0.000 -1.709 -1.470) 2.254 38.375 ( 0.000 -1.709 1.470) 2.254 38.818 ( -0.000 0.259 -0.985) 1.018 38.818 ( -0.000 0.259 0.985) 1.018 51.834 ( -0.000 0.391 -8.546) 8.555 51.834 ( -0.000 0.391 8.546) 8.555 52.856 ( 0.000 -5.268 -13.649) 14.630 52.856 ( 0.000 -5.268 13.649) 14.630 53.497 ( 0.000 -0.853 -3.543) 3.645 53.497 ( 0.000 -0.853 3.543) 3.645 54.199 ( -0.000 3.793 -3.429) 5.114 54.199 ( -0.000 3.793 3.429) 5.114 55.437 ( 0.000 -7.234 -14.237) 15.970 55.437 ( 0.000 -7.234 14.237) 15.970 55.532 ( -0.000 6.293 -17.493) 18.590 55.532 ( -0.000 6.293 17.493) 18.590 58.175 ( -0.000 3.885 -2.252) 4.490 58.175 ( -0.000 3.885 2.252) 4.490 58.308 ( 0.000 -3.677 -2.033) 4.201 58.308 ( 0.000 -3.677 2.033) 4.201 60.170 ( 0.000 -0.105 -0.205) 0.230 60.170 ( 0.000 -0.105 0.205) 0.230 ======================= Grid point 405 (121/124) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.763 ( 5.943 -0.000 -5.178) 7.883 3.763 ( 5.943 -0.000 5.178) 7.883 4.137 ( 21.376 -0.000 -14.999) 26.113 4.137 ( 21.376 -0.000 14.999) 26.113 4.555 ( 7.335 -0.000 -7.615) 10.574 4.555 ( 7.335 -0.000 7.615) 10.574 5.506 ( 6.284 -0.000 -18.177) 19.233 5.506 ( 6.284 -0.000 18.177) 19.233 5.895 ( -10.782 0.000 -6.808) 12.751 5.895 ( -10.782 0.000 6.808) 12.751 6.018 ( 9.849 -0.000 -13.405) 16.634 6.018 ( 9.849 -0.000 13.405) 16.634 6.586 ( -1.426 0.000 -13.223) 13.300 6.586 ( -1.426 0.000 13.223) 13.300 6.791 ( -16.780 0.000 -4.059) 17.264 6.791 ( -16.780 0.000 4.059) 17.264 7.540 ( 5.853 -0.000 -21.105) 21.902 7.540 ( 5.853 -0.000 21.105) 21.902 7.839 ( 5.340 -0.000 -8.679) 10.190 7.839 ( 5.340 -0.000 8.679) 10.190 8.492 ( -9.265 0.000 -1.142) 9.335 8.492 ( -9.265 0.000 1.142) 9.335 9.360 ( 4.484 -0.000 -20.449) 20.935 9.360 ( 4.484 -0.000 20.449) 20.935 9.639 ( -1.927 0.000 -22.824) 22.906 9.639 ( -1.927 0.000 22.824) 22.906 10.217 ( 2.512 -0.000 -8.428) 8.794 10.217 ( 2.512 -0.000 8.428) 8.794 10.538 ( -13.947 0.000 -4.496) 14.654 10.538 ( -13.947 0.000 4.496) 14.654 11.126 ( 10.248 -0.000 -15.051) 18.209 11.126 ( 10.248 -0.000 15.051) 18.209 11.370 ( 0.999 -0.000 -8.637) 8.695 11.370 ( 0.999 -0.000 8.637) 8.695 12.073 ( 3.454 -0.000 -14.059) 14.477 12.073 ( 3.454 -0.000 14.059) 14.477 12.392 ( -1.335 0.000 -17.646) 17.696 12.392 ( -1.335 0.000 17.646) 17.696 12.931 ( -14.805 0.000 -22.735) 27.130 12.931 ( -14.805 0.000 22.735) 27.130 13.524 ( 1.029 -0.000 -0.603) 1.193 13.524 ( 1.029 -0.000 0.603) 1.193 20.060 ( -4.157 0.000 -2.629) 4.919 20.060 ( -4.157 0.000 2.629) 4.919 21.136 ( 1.614 -0.000 -14.746) 14.834 21.136 ( 1.614 -0.000 14.746) 14.834 21.169 ( -1.459 0.000 -10.954) 11.051 21.169 ( -1.459 0.000 10.954) 11.051 21.612 ( 2.597 -0.000 -5.937) 6.480 21.612 ( 2.597 -0.000 5.937) 6.480 21.842 ( -0.429 0.000 -4.718) 4.738 21.842 ( -0.429 0.000 4.718) 4.738 22.526 ( 0.017 -0.000 -14.557) 14.557 22.526 ( 0.017 -0.000 14.557) 14.557 24.644 ( 0.929 -0.000 -7.479) 7.537 24.644 ( 0.929 -0.000 7.479) 7.537 25.033 ( 2.671 -0.000 -4.050) 4.852 25.033 ( 2.671 -0.000 4.050) 4.852 25.555 ( -0.627 0.000 -0.390) 0.738 25.555 ( -0.627 0.000 0.390) 0.738 26.237 ( 3.783 -0.000 -11.727) 12.322 26.237 ( 3.783 -0.000 11.727) 12.322 27.078 ( -1.178 0.000 -9.109) 9.185 27.078 ( -1.178 0.000 9.109) 9.185 27.156 ( -0.899 0.000 -4.742) 4.826 27.156 ( -0.899 0.000 4.742) 4.826 38.265 ( 0.537 -0.000 -0.605) 0.809 38.265 ( 0.537 -0.000 0.605) 0.809 38.394 ( 0.893 -0.000 -3.221) 3.343 38.394 ( 0.893 -0.000 3.221) 3.343 38.809 ( 0.441 -0.000 -0.778) 0.894 38.809 ( 0.441 -0.000 0.778) 0.894 51.852 ( -1.025 0.000 -1.811) 2.081 51.852 ( -1.025 0.000 1.811) 2.081 52.698 ( -4.283 0.000 -14.064) 14.702 52.698 ( -4.283 0.000 14.064) 14.702 53.498 ( -0.252 0.000 -5.543) 5.548 53.498 ( -0.252 0.000 5.543) 5.548 54.450 ( -0.066 0.000 -1.223) 1.224 54.450 ( -0.066 0.000 1.223) 1.224 55.141 ( 0.695 -0.000 -0.497) 0.855 55.141 ( 0.695 -0.000 0.497) 0.855 55.828 ( -3.618 0.000 -20.110) 20.433 55.828 ( -3.618 0.000 20.110) 20.433 58.095 ( 0.226 -0.000 -0.110) 0.252 58.095 ( 0.226 -0.000 0.110) 0.252 58.369 ( 0.755 -0.000 -5.010) 5.067 58.369 ( 0.755 -0.000 5.010) 5.067 60.176 ( -0.019 0.000 -0.005) 0.020 60.176 ( -0.019 0.000 0.005) 0.020 ======================= Grid point 407 (122/124) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( 3.138 -2.587 -3.450) 5.333 3.823 ( 3.138 -2.587 3.450) 5.333 4.370 ( 18.519 -3.148 -8.675) 20.692 4.370 ( 18.519 -3.148 8.675) 20.692 4.628 ( -5.350 -6.072 -8.097) 11.448 4.628 ( -5.350 -6.072 8.097) 11.448 5.472 ( 14.875 10.234 -22.667) 28.979 5.472 ( 14.875 10.234 22.667) 28.979 5.733 ( -10.030 5.502 -19.056) 22.226 5.733 ( -10.030 5.502 19.056) 22.226 6.260 ( 9.652 -8.140 -5.900) 13.937 6.260 ( 9.652 -8.140 5.900) 13.937 6.546 ( -6.178 2.864 -10.072) 12.158 6.546 ( -6.178 2.864 10.072) 12.158 6.640 ( -12.468 -3.744 -4.241) 13.691 6.640 ( -12.468 -3.744 4.241) 13.691 7.426 ( 0.121 14.171 -13.063) 19.274 7.426 ( 0.121 14.171 13.063) 19.274 7.926 ( 2.522 -5.796 -11.583) 13.196 7.926 ( 2.522 -5.796 11.583) 13.196 8.596 ( -1.576 -16.049 -13.520) 21.043 8.596 ( -1.576 -16.049 13.520) 21.043 9.318 ( 0.316 7.119 -20.626) 21.822 9.318 ( 0.316 7.119 20.626) 21.822 9.664 ( -0.564 -3.342 -23.241) 23.487 9.664 ( -0.564 -3.342 23.241) 23.487 10.225 ( 1.924 1.749 -8.101) 8.508 10.225 ( 1.924 1.749 8.101) 8.508 10.440 ( -7.496 -1.124 -12.243) 14.400 10.440 ( -7.496 -1.124 12.243) 14.400 11.195 ( 6.150 2.444 -13.742) 15.253 11.195 ( 6.150 2.444 13.742) 15.253 11.360 ( -0.120 0.353 -9.933) 9.940 11.360 ( -0.120 0.353 9.933) 9.940 12.152 ( 4.887 -4.164 -18.251) 19.348 12.152 ( 4.887 -4.164 18.251) 19.348 12.345 ( -3.030 3.264 -18.029) 18.571 12.345 ( -3.030 3.264 18.029) 18.571 12.794 ( -7.984 1.947 -20.769) 22.336 12.794 ( -7.984 1.947 20.769) 22.336 13.539 ( 0.581 -0.758 -0.708) 1.189 13.539 ( 0.581 -0.758 0.708) 1.189 20.032 ( -2.159 -0.418 -3.969) 4.538 20.032 ( -2.159 -0.418 3.969) 4.538 21.089 ( 1.375 7.271 -15.385) 17.072 21.089 ( 1.375 7.271 15.385) 17.072 21.159 ( -0.836 -1.294 -7.081) 7.247 21.159 ( -0.836 -1.294 7.081) 7.247 21.640 ( 0.600 -0.539 -4.563) 4.634 21.640 ( 0.600 -0.539 4.563) 4.634 21.857 ( -0.105 -2.145 -4.845) 5.300 21.857 ( -0.105 -2.145 4.845) 5.300 22.533 ( 0.088 -0.630 -15.431) 15.445 22.533 ( 0.088 -0.630 15.431) 15.445 24.669 ( 0.548 -1.966 -7.012) 7.303 24.669 ( 0.548 -1.966 7.012) 7.303 25.068 ( 1.437 -1.507 -4.801) 5.233 25.068 ( 1.437 -1.507 4.801) 5.233 25.523 ( -0.512 2.946 -1.683) 3.431 25.523 ( -0.512 2.946 1.683) 3.431 26.246 ( 1.549 2.032 -11.012) 11.305 26.246 ( 1.549 2.032 11.012) 11.305 27.077 ( -0.535 -0.976 -9.036) 9.104 27.077 ( -0.535 -0.976 9.036) 9.104 27.155 ( -0.433 -0.696 -4.492) 4.566 27.155 ( -0.433 -0.696 4.492) 4.566 38.278 ( 0.336 -1.038 -0.753) 1.325 38.278 ( 0.336 -1.038 0.753) 1.325 38.395 ( 0.335 0.665 -3.041) 3.131 38.395 ( 0.335 0.665 3.041) 3.131 38.814 ( 0.223 -0.156 -0.793) 0.839 38.814 ( 0.223 -0.156 0.793) 0.839 51.846 ( -0.434 -0.108 -2.713) 2.749 51.846 ( -0.434 -0.108 2.713) 2.749 52.679 ( -2.125 -1.565 -14.725) 14.959 52.679 ( -2.125 -1.565 14.725) 14.959 53.493 ( -0.189 0.348 -5.486) 5.500 53.493 ( -0.189 0.348 5.486) 5.500 54.423 ( 0.085 2.890 -1.957) 3.492 54.423 ( 0.085 2.890 1.957) 3.492 55.169 ( 0.383 -2.509 -4.220) 4.924 55.169 ( 0.383 -2.509 4.220) 4.924 55.781 ( -1.689 2.241 -19.847) 20.045 55.781 ( -1.689 2.241 19.847) 20.045 58.115 ( 0.315 -2.051 -0.086) 2.077 58.115 ( 0.315 -2.051 0.086) 2.077 58.358 ( 0.095 1.828 -4.581) 4.933 58.358 ( 0.095 1.828 4.581) 4.933 60.175 ( -0.024 0.147 -0.082) 0.169 60.175 ( -0.024 0.147 0.082) 0.169 ======================= Grid point 409 (123/124) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( 0.000 -5.026 -10.260) 11.425 3.912 ( 0.000 -5.026 10.260) 11.425 4.587 ( 0.000 -4.538 -15.778) 16.418 4.587 ( 0.000 -4.538 15.778) 16.418 4.624 ( 0.000 -2.466 -22.599) 22.733 4.624 ( 0.000 -2.466 22.599) 22.733 5.487 ( -0.000 2.849 -22.585) 22.764 5.487 ( -0.000 2.849 22.585) 22.764 5.585 ( 0.000 -0.778 -14.361) 14.382 5.585 ( 0.000 -0.778 14.361) 14.382 6.290 ( -0.000 9.313 -7.598) 12.020 6.290 ( -0.000 9.313 7.598) 12.020 6.413 ( -0.000 5.495 -9.716) 11.162 6.413 ( -0.000 5.495 9.716) 11.162 6.710 ( 0.000 -7.153 -5.404) 8.965 6.710 ( 0.000 -7.153 5.404) 8.965 7.199 ( -0.000 9.383 -11.929) 15.177 7.199 ( -0.000 9.383 11.929) 15.177 8.086 ( 0.000 -10.814 -18.271) 21.231 8.086 ( 0.000 -10.814 18.271) 21.231 8.890 ( 0.000 -15.853 -19.205) 24.903 8.890 ( 0.000 -15.853 19.205) 24.903 9.175 ( -0.000 7.707 -19.581) 21.043 9.175 ( -0.000 7.707 19.581) 21.043 9.693 ( -0.000 0.434 -20.313) 20.318 9.693 ( -0.000 0.434 20.313) 20.318 10.213 ( 0.000 -0.026 -13.615) 13.615 10.213 ( 0.000 -0.026 13.615) 13.615 10.402 ( -0.000 2.385 -25.222) 25.334 10.402 ( -0.000 2.385 25.222) 25.334 11.176 ( -0.000 1.292 -15.431) 15.485 11.176 ( -0.000 1.292 15.431) 15.485 11.378 ( 0.000 -1.929 -8.860) 9.068 11.378 ( 0.000 -1.929 8.860) 9.068 12.206 ( -0.000 9.168 -13.377) 16.217 12.206 ( -0.000 9.168 13.377) 16.217 12.300 ( 0.000 -7.587 -21.362) 22.669 12.300 ( 0.000 -7.587 21.362) 22.669 12.722 ( -0.000 1.764 -15.217) 15.319 12.722 ( -0.000 1.764 15.217) 15.319 13.558 ( 0.000 -0.902 -0.950) 1.310 13.558 ( 0.000 -0.902 0.950) 1.310 20.036 ( 0.000 -1.476 -4.914) 5.131 20.036 ( 0.000 -1.476 4.914) 5.131 20.941 ( -0.000 10.033 -12.444) 15.985 20.941 ( -0.000 10.033 12.444) 15.985 21.189 ( 0.000 -2.241 -8.799) 9.080 21.189 ( 0.000 -2.241 8.799) 9.080 21.636 ( -0.000 1.056 -4.117) 4.250 21.636 ( -0.000 1.056 4.117) 4.250 21.909 ( 0.000 -3.668 -6.218) 7.219 21.909 ( 0.000 -3.668 6.218) 7.219 22.547 ( 0.000 -0.857 -16.783) 16.805 22.547 ( 0.000 -0.857 16.783) 16.805 24.718 ( 0.000 -3.098 -5.352) 6.184 24.718 ( 0.000 -3.098 5.352) 6.184 25.111 ( 0.000 -2.630 -5.591) 6.178 25.111 ( 0.000 -2.630 5.591) 6.178 25.448 ( -0.000 5.261 -2.621) 5.878 25.448 ( -0.000 5.261 2.621) 5.878 26.205 ( -0.000 3.241 -10.336) 10.832 26.205 ( -0.000 3.241 10.336) 10.832 27.097 ( 0.000 -1.467 -8.658) 8.781 27.097 ( 0.000 -1.467 8.658) 8.781 27.170 ( 0.000 -1.167 -4.327) 4.482 27.170 ( 0.000 -1.167 4.327) 4.482 38.306 ( 0.000 -1.858 -1.104) 2.161 38.306 ( 0.000 -1.858 1.104) 2.161 38.378 ( -0.000 1.385 -2.581) 2.929 38.378 ( -0.000 1.385 2.581) 2.929 38.818 ( 0.000 -0.174 -0.847) 0.864 38.818 ( 0.000 -0.174 0.847) 0.864 51.845 ( -0.000 0.022 -4.743) 4.743 51.845 ( -0.000 0.022 4.743) 4.743 52.709 ( 0.000 -3.066 -14.708) 15.024 52.709 ( 0.000 -3.066 14.708) 15.024 53.486 ( -0.000 0.264 -4.730) 4.737 53.486 ( -0.000 0.264 4.730) 4.737 54.358 ( -0.000 4.546 -2.951) 5.419 54.358 ( -0.000 4.546 2.951) 5.419 55.232 ( 0.000 -4.493 -7.965) 9.145 55.232 ( 0.000 -4.493 7.965) 9.145 55.718 ( -0.000 4.092 -19.349) 19.777 55.718 ( -0.000 4.092 19.349) 19.777 58.169 ( 0.000 -3.696 -0.513) 3.731 58.169 ( 0.000 -3.696 0.513) 3.731 58.311 ( -0.000 3.429 -3.883) 5.180 58.311 ( -0.000 3.429 3.883) 5.180 60.171 ( -0.000 0.174 -0.117) 0.210 60.171 ( -0.000 0.174 0.117) 0.210 ======================= Grid point 431 (124/124) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.813 ( 0.000 -0.000 -4.741) 4.741 3.813 ( 0.000 -0.000 4.741) 4.741 4.475 ( 0.000 -0.000 -18.467) 18.467 4.475 ( -0.000 0.000 18.467) 18.467 4.510 ( 0.000 -0.000 -18.882) 18.882 4.510 ( 0.000 -0.000 18.882) 18.882 5.644 ( 0.000 -0.000 -1.878) 1.878 5.644 ( -0.000 0.000 1.878) 1.878 5.736 ( 0.000 -0.000 -32.997) 32.997 5.736 ( 0.000 -0.000 32.997) 32.997 6.325 ( -0.000 0.000 -5.122) 5.122 6.325 ( 0.000 -0.000 5.122) 5.122 6.402 ( 0.000 -0.000 -2.046) 2.046 6.402 ( 0.000 -0.000 2.046) 2.046 6.576 ( 0.000 -0.000 -13.639) 13.639 6.576 ( 0.000 -0.000 13.639) 13.639 7.600 ( 0.000 -0.000 -10.376) 10.376 7.600 ( 0.000 -0.000 10.376) 10.376 7.890 ( -0.000 0.000 -1.361) 1.361 7.890 ( 0.000 -0.000 1.361) 1.361 8.397 ( 0.000 -0.000 -10.505) 10.505 8.397 ( 0.000 -0.000 10.505) 10.505 9.403 ( 0.000 -0.000 -17.235) 17.235 9.403 ( 0.000 -0.000 17.235) 17.235 9.616 ( 0.000 -0.000 -25.768) 25.768 9.616 ( 0.000 -0.000 25.768) 25.768 10.255 ( 0.000 -0.000 -1.457) 1.457 10.255 ( -0.000 0.000 1.457) 1.457 10.383 ( 0.000 -0.000 -11.481) 11.481 10.383 ( 0.000 -0.000 11.481) 11.481 11.265 ( 0.000 -0.000 -7.305) 7.305 11.265 ( 0.000 -0.000 7.305) 7.305 11.354 ( 0.000 -0.000 -11.210) 11.210 11.354 ( -0.000 0.000 11.210) 11.210 12.131 ( 0.000 -0.000 -17.181) 17.181 12.131 ( 0.000 -0.000 17.181) 17.181 12.363 ( 0.000 -0.000 -22.585) 22.585 12.363 ( 0.000 -0.000 22.585) 22.585 12.768 ( 0.000 -0.000 -21.636) 21.636 12.768 ( 0.000 -0.000 21.636) 21.636 13.535 ( 0.000 -0.000 -0.631) 0.631 13.535 ( 0.000 -0.000 0.631) 0.631 20.019 ( 0.000 -0.000 -3.865) 3.865 20.019 ( 0.000 -0.000 3.865) 3.865 21.140 ( 0.000 -0.000 -7.369) 7.369 21.140 ( 0.000 -0.000 7.369) 7.369 21.164 ( 0.000 -0.000 -17.797) 17.797 21.164 ( 0.000 -0.000 17.797) 17.797 21.638 ( 0.000 -0.000 -5.925) 5.925 21.638 ( 0.000 -0.000 5.925) 5.925 21.837 ( 0.000 -0.000 -4.101) 4.101 21.837 ( 0.000 -0.000 4.101) 4.101 22.527 ( 0.000 -0.000 -14.805) 14.805 22.527 ( 0.000 -0.000 14.805) 14.805 24.654 ( 0.000 -0.000 -7.740) 7.740 24.654 ( 0.000 -0.000 7.740) 7.740 25.062 ( 0.000 -0.000 -4.511) 4.511 25.062 ( 0.000 -0.000 4.511) 4.511 25.547 ( 0.000 -0.000 -0.941) 0.941 25.547 ( 0.000 -0.000 0.941) 0.941 26.274 ( 0.000 -0.000 -11.185) 11.185 26.274 ( 0.000 -0.000 11.185) 11.185 27.066 ( 0.000 -0.000 -9.292) 9.292 27.066 ( 0.000 -0.000 9.292) 9.292 27.147 ( 0.000 -0.000 -4.437) 4.437 27.147 ( 0.000 -0.000 4.437) 4.437 38.270 ( 0.000 -0.000 -0.561) 0.561 38.270 ( 0.000 -0.000 0.561) 0.561 38.403 ( 0.000 -0.000 -3.253) 3.253 38.403 ( 0.000 -0.000 3.253) 3.253 38.814 ( 0.000 -0.000 -0.770) 0.770 38.814 ( 0.000 -0.000 0.770) 0.770 51.842 ( 0.000 -0.000 -1.729) 1.729 51.842 ( 0.000 -0.000 1.729) 1.729 52.655 ( 0.000 -0.000 -15.065) 15.065 52.655 ( 0.000 -0.000 15.065) 15.065 53.496 ( 0.000 -0.000 -5.895) 5.895 53.496 ( 0.000 -0.000 5.895) 5.895 54.449 ( 0.000 -0.000 -1.017) 1.017 54.449 ( 0.000 -0.000 1.017) 1.017 55.148 ( 0.000 -0.000 -0.586) 0.586 55.148 ( 0.000 -0.000 0.586) 0.586 55.792 ( 0.000 -0.000 -19.943) 19.943 55.792 ( 0.000 -0.000 19.943) 19.943 58.097 ( 0.000 -0.000 -0.081) 0.081 58.097 ( 0.000 -0.000 0.081) 0.081 58.376 ( 0.000 -0.000 -4.794) 4.794 58.376 ( 0.000 -0.000 4.794) 4.794 60.176 ( 0.000 -0.000 -0.024) 0.024 60.176 ( 0.000 -0.000 0.024) 0.024 =================== 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 3/54000 10.0 1389.694 698.677 292.311 0.000 0.000 -0.000 3/54000 20.0 274.065 314.411 315.023 0.000 0.000 -0.000 3/54000 30.0 53.202 70.864 85.705 0.000 0.000 -0.000 3/54000 40.0 19.247 26.369 33.344 0.000 0.000 -0.000 3/54000 50.0 9.779 13.463 17.452 0.000 0.000 -0.000 3/54000 60.0 6.015 8.255 10.892 0.000 0.000 -0.000 3/54000 70.0 4.163 5.680 7.586 0.000 0.000 -0.000 3/54000 80.0 3.117 4.224 5.692 0.000 0.000 -0.000 3/54000 90.0 2.465 3.320 4.505 0.000 0.000 -0.000 3/54000 100.0 2.030 2.718 3.711 0.000 0.000 -0.000 3/54000 110.0 1.723 2.295 3.151 0.000 0.000 -0.000 3/54000 120.0 1.496 1.985 2.739 0.000 0.000 -0.000 3/54000 130.0 1.323 1.748 2.425 0.000 0.000 -0.000 3/54000 140.0 1.187 1.563 2.179 0.000 0.000 -0.000 3/54000 150.0 1.077 1.415 1.981 0.000 0.000 -0.000 3/54000 160.0 0.987 1.293 1.818 0.000 0.000 -0.000 3/54000 170.0 0.912 1.192 1.682 0.000 0.000 -0.000 3/54000 180.0 0.847 1.106 1.567 0.000 0.000 -0.000 3/54000 190.0 0.792 1.032 1.468 0.000 0.000 -0.000 3/54000 200.0 0.744 0.968 1.381 0.000 0.000 -0.000 3/54000 210.0 0.702 0.912 1.305 0.000 0.000 -0.000 3/54000 220.0 0.664 0.862 1.238 0.000 0.000 -0.000 3/54000 230.0 0.631 0.818 1.178 0.000 0.000 -0.000 3/54000 240.0 0.601 0.778 1.123 0.000 0.000 -0.000 3/54000 250.0 0.573 0.742 1.075 0.000 0.000 -0.000 3/54000 260.0 0.549 0.710 1.030 0.000 0.000 -0.000 3/54000 270.0 0.526 0.680 0.990 0.000 0.000 -0.000 3/54000 280.0 0.505 0.653 0.953 0.000 0.000 -0.000 3/54000 290.0 0.486 0.628 0.919 0.000 0.000 -0.000 3/54000 300.0 0.469 0.605 0.887 0.000 0.000 -0.000 3/54000 310.0 0.452 0.584 0.859 0.000 0.000 -0.000 3/54000 320.0 0.437 0.564 0.832 0.000 0.000 -0.000 3/54000 330.0 0.423 0.546 0.807 0.000 0.000 -0.000 3/54000 340.0 0.410 0.529 0.784 0.000 0.000 -0.000 3/54000 350.0 0.398 0.513 0.763 0.000 0.000 -0.000 3/54000 360.0 0.386 0.498 0.743 0.000 0.000 -0.000 3/54000 370.0 0.375 0.484 0.725 0.000 0.000 -0.000 3/54000 380.0 0.365 0.471 0.708 0.000 0.000 -0.000 3/54000 390.0 0.355 0.459 0.692 0.000 0.000 -0.000 3/54000 400.0 0.346 0.448 0.677 0.000 0.000 -0.000 3/54000 410.0 0.338 0.437 0.663 0.000 0.000 -0.000 3/54000 420.0 0.330 0.426 0.650 0.000 0.000 -0.000 3/54000 430.0 0.322 0.417 0.638 0.000 0.000 -0.000 3/54000 440.0 0.315 0.407 0.627 0.000 0.000 -0.000 3/54000 450.0 0.308 0.399 0.616 0.000 0.000 -0.000 3/54000 460.0 0.301 0.390 0.606 0.000 0.000 -0.000 3/54000 470.0 0.295 0.383 0.596 0.000 0.000 -0.000 3/54000 480.0 0.289 0.375 0.587 0.000 0.000 -0.000 3/54000 490.0 0.283 0.368 0.579 0.000 0.000 -0.000 3/54000 500.0 0.277 0.361 0.571 0.000 0.000 -0.000 3/54000 510.0 0.272 0.355 0.564 0.000 0.000 -0.000 3/54000 520.0 0.267 0.348 0.557 0.000 0.000 -0.000 3/54000 530.0 0.262 0.342 0.550 0.000 0.000 -0.000 3/54000 540.0 0.258 0.337 0.543 0.000 0.000 -0.000 3/54000 550.0 0.253 0.331 0.537 0.000 0.000 -0.000 3/54000 560.0 0.249 0.326 0.532 0.000 0.000 -0.000 3/54000 570.0 0.245 0.321 0.526 0.000 0.000 -0.000 3/54000 580.0 0.241 0.316 0.521 0.000 0.000 -0.000 3/54000 590.0 0.237 0.311 0.516 0.000 0.000 -0.000 3/54000 600.0 0.233 0.307 0.511 0.000 0.000 -0.000 3/54000 610.0 0.230 0.303 0.506 0.000 0.000 -0.000 3/54000 620.0 0.226 0.298 0.502 0.000 0.000 -0.000 3/54000 630.0 0.223 0.294 0.498 0.000 0.000 -0.000 3/54000 640.0 0.220 0.291 0.494 0.000 0.000 -0.000 3/54000 650.0 0.217 0.287 0.490 0.000 0.000 -0.000 3/54000 660.0 0.214 0.283 0.486 0.000 0.000 -0.000 3/54000 670.0 0.211 0.280 0.482 0.000 0.000 -0.000 3/54000 680.0 0.208 0.276 0.479 0.000 0.000 -0.000 3/54000 690.0 0.205 0.273 0.475 0.000 0.000 -0.000 3/54000 700.0 0.202 0.270 0.472 0.000 0.000 -0.000 3/54000 710.0 0.200 0.266 0.469 0.000 0.000 -0.000 3/54000 720.0 0.197 0.263 0.465 0.000 0.000 -0.000 3/54000 730.0 0.195 0.260 0.462 0.000 0.000 -0.000 3/54000 740.0 0.192 0.258 0.459 0.000 0.000 -0.000 3/54000 750.0 0.190 0.255 0.456 0.000 0.000 -0.000 3/54000 760.0 0.188 0.252 0.453 0.000 0.000 -0.000 3/54000 770.0 0.186 0.249 0.451 0.000 0.000 -0.000 3/54000 780.0 0.183 0.247 0.448 0.000 0.000 -0.000 3/54000 790.0 0.181 0.244 0.445 0.000 0.000 -0.000 3/54000 800.0 0.179 0.242 0.442 0.000 0.000 -0.000 3/54000 810.0 0.177 0.239 0.440 0.000 0.000 -0.000 3/54000 820.0 0.175 0.237 0.437 0.000 0.000 -0.000 3/54000 830.0 0.173 0.235 0.435 0.000 0.000 -0.000 3/54000 840.0 0.172 0.232 0.432 0.000 0.000 -0.000 3/54000 850.0 0.170 0.230 0.430 0.000 0.000 -0.000 3/54000 860.0 0.168 0.228 0.427 0.000 0.000 -0.000 3/54000 870.0 0.166 0.226 0.425 0.000 0.000 -0.000 3/54000 880.0 0.165 0.224 0.423 0.000 0.000 -0.000 3/54000 890.0 0.163 0.222 0.420 0.000 0.000 -0.000 3/54000 900.0 0.161 0.220 0.418 0.000 0.000 -0.000 3/54000 910.0 0.160 0.218 0.416 0.000 0.000 -0.000 3/54000 920.0 0.158 0.216 0.414 0.000 0.000 -0.000 3/54000 930.0 0.157 0.214 0.412 0.000 0.000 -0.000 3/54000 940.0 0.155 0.212 0.409 0.000 0.000 -0.000 3/54000 950.0 0.154 0.210 0.407 0.000 0.000 -0.000 3/54000 960.0 0.152 0.209 0.405 0.000 0.000 -0.000 3/54000 970.0 0.151 0.207 0.403 0.000 0.000 -0.000 3/54000 980.0 0.149 0.205 0.401 0.000 0.000 -0.000 3/54000 990.0 0.148 0.204 0.399 0.000 0.000 -0.000 3/54000 1000.0 0.147 0.202 0.397 0.000 0.000 -0.000 3/54000 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:48:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|