----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:14:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 19.724047889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.577633819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.606756830000000 Atomic positions (fractional): *1 S 0.49138995014389 0.25000000000000 0.22439999066176 32.065 2 S 0.50861004985611 0.75000000000000 0.77560000933824 32.065 3 S 0.00861004985611 0.75000000000000 0.72439999066176 32.065 4 S 0.99138995014389 0.25000000000000 0.27560000933824 32.065 *5 S 0.26303770035390 0.25000000000000 0.18172337407274 32.065 6 S 0.73696229964610 0.75000000000000 0.81827662592726 32.065 7 S 0.23696229964610 0.75000000000000 0.68172337407274 32.065 8 S 0.76303770035390 0.25000000000000 0.31827662592726 32.065 *9 S 0.35909680009172 0.25000000000000 0.93889572703003 32.065 10 S 0.64090319990828 0.75000000000000 0.06110427296996 32.065 11 S 0.14090319990828 0.75000000000000 0.43889572703003 32.065 12 S 0.85909680009172 0.25000000000000 0.56110427296997 32.065 *13 S 0.62285699609951 0.25000000000000 0.54270209645303 32.065 14 S 0.37714300390049 0.75000000000000 0.45729790354698 32.065 15 S 0.87714300390049 0.75000000000000 0.04270209645303 32.065 16 S 0.12285699609951 0.25000000000000 0.95729790354697 32.065 *17 Ir 0.80409786817409 0.25000000000000 0.93723696544065 192.217 18 Ir 0.19590213182591 0.75000000000000 0.06276303455935 192.217 19 Ir 0.69590213182591 0.75000000000000 0.43723696544065 192.217 20 Ir 0.30409786817409 0.25000000000000 0.56276303455935 192.217 *21 Ir 0.57762446021057 0.25000000000000 0.92574448521223 192.217 22 Ir 0.42237553978943 0.75000000000000 0.07425551478777 192.217 23 Ir 0.92237553978943 0.75000000000000 0.42574448521223 192.217 24 Ir 0.07762446021057 0.25000000000000 0.57425551478777 192.217 -------------------------------- unit cell --------------------------------- Lattice vectors: a 19.724047889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.577633819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.606756830000000 Atomic positions (fractional): *1 S 0.49138995014389 0.25000000000000 0.22439999066176 32.065 > 1 2 S 0.50861004985611 0.75000000000000 0.77560000933824 32.065 > 2 3 S 0.00861004985611 0.75000000000000 0.72439999066176 32.065 > 3 4 S 0.99138995014389 0.25000000000000 0.27560000933824 32.065 > 4 *5 S 0.26303770035390 0.25000000000000 0.18172337407274 32.065 > 5 6 S 0.73696229964610 0.75000000000000 0.81827662592726 32.065 > 6 7 S 0.23696229964610 0.75000000000000 0.68172337407274 32.065 > 7 8 S 0.76303770035390 0.25000000000000 0.31827662592726 32.065 > 8 *9 S 0.35909680009172 0.25000000000000 0.93889572703003 32.065 > 9 10 S 0.64090319990828 0.75000000000000 0.06110427296996 32.065 > 10 11 S 0.14090319990828 0.75000000000000 0.43889572703003 32.065 > 11 12 S 0.85909680009172 0.25000000000000 0.56110427296997 32.065 > 12 *13 S 0.62285699609951 0.25000000000000 0.54270209645303 32.065 > 13 14 S 0.37714300390049 0.75000000000000 0.45729790354698 32.065 > 14 15 S 0.87714300390049 0.75000000000000 0.04270209645303 32.065 > 15 16 S 0.12285699609951 0.25000000000000 0.95729790354697 32.065 > 16 *17 Ir 0.80409786817409 0.25000000000000 0.93723696544065 192.217 > 17 18 Ir 0.19590213182591 0.75000000000000 0.06276303455935 192.217 > 18 19 Ir 0.69590213182591 0.75000000000000 0.43723696544065 192.217 > 19 20 Ir 0.30409786817409 0.25000000000000 0.56276303455935 192.217 > 20 *21 Ir 0.57762446021057 0.25000000000000 0.92574448521223 192.217 > 21 22 Ir 0.42237553978943 0.75000000000000 0.07425551478777 192.217 > 22 23 Ir 0.92237553978943 0.75000000000000 0.42574448521223 192.217 > 23 24 Ir 0.07762446021057 0.25000000000000 0.57425551478777 192.217 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 19.724047889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.732901459999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.213513660000000 Atomic positions (fractional): *1 S 0.49138995014389 0.08333333333333 0.11219999533088 32.065 > 1 2 S 0.49138995014389 0.41666666666667 0.11219999533088 32.065 > 1 3 S 0.49138995014389 0.75000000000000 0.11219999533088 32.065 > 1 4 S 0.49138995014389 0.08333333333333 0.61219999533088 32.065 > 1 5 S 0.49138995014389 0.41666666666667 0.61219999533088 32.065 > 1 6 S 0.49138995014389 0.75000000000000 0.61219999533088 32.065 > 1 7 S 0.50861004985611 0.25000000000000 0.38780000466912 32.065 > 2 8 S 0.50861004985611 0.58333333333333 0.38780000466912 32.065 > 2 9 S 0.50861004985611 0.91666666666667 0.38780000466912 32.065 > 2 10 S 0.50861004985611 0.25000000000000 0.88780000466912 32.065 > 2 11 S 0.50861004985611 0.58333333333333 0.88780000466912 32.065 > 2 12 S 0.50861004985611 0.91666666666667 0.88780000466912 32.065 > 2 13 S 0.00861004985611 0.25000000000000 0.36219999533088 32.065 > 3 14 S 0.00861004985611 0.58333333333333 0.36219999533088 32.065 > 3 15 S 0.00861004985611 0.91666666666667 0.36219999533088 32.065 > 3 16 S 0.00861004985611 0.25000000000000 0.86219999533088 32.065 > 3 17 S 0.00861004985611 0.58333333333333 0.86219999533088 32.065 > 3 18 S 0.00861004985611 0.91666666666667 0.86219999533088 32.065 > 3 19 S 0.99138995014389 0.08333333333333 0.13780000466912 32.065 > 4 20 S 0.99138995014389 0.41666666666667 0.13780000466912 32.065 > 4 21 S 0.99138995014389 0.75000000000000 0.13780000466912 32.065 > 4 22 S 0.99138995014389 0.08333333333333 0.63780000466912 32.065 > 4 23 S 0.99138995014389 0.41666666666667 0.63780000466912 32.065 > 4 24 S 0.99138995014389 0.75000000000000 0.63780000466912 32.065 > 4 *25 S 0.26303770035390 0.08333333333333 0.09086168703637 32.065 > 5 26 S 0.26303770035390 0.41666666666667 0.09086168703637 32.065 > 5 27 S 0.26303770035390 0.75000000000000 0.09086168703637 32.065 > 5 28 S 0.26303770035390 0.08333333333333 0.59086168703637 32.065 > 5 29 S 0.26303770035390 0.41666666666667 0.59086168703637 32.065 > 5 30 S 0.26303770035390 0.75000000000000 0.59086168703637 32.065 > 5 31 S 0.73696229964610 0.25000000000000 0.40913831296363 32.065 > 6 32 S 0.73696229964610 0.58333333333333 0.40913831296363 32.065 > 6 33 S 0.73696229964610 0.91666666666667 0.40913831296363 32.065 > 6 34 S 0.73696229964610 0.25000000000000 0.90913831296363 32.065 > 6 35 S 0.73696229964610 0.58333333333333 0.90913831296363 32.065 > 6 36 S 0.73696229964610 0.91666666666667 0.90913831296363 32.065 > 6 37 S 0.23696229964610 0.25000000000000 0.34086168703637 32.065 > 7 38 S 0.23696229964610 0.58333333333333 0.34086168703637 32.065 > 7 39 S 0.23696229964610 0.91666666666667 0.34086168703637 32.065 > 7 40 S 0.23696229964610 0.25000000000000 0.84086168703637 32.065 > 7 41 S 0.23696229964610 0.58333333333333 0.84086168703637 32.065 > 7 42 S 0.23696229964610 0.91666666666667 0.84086168703637 32.065 > 7 43 S 0.76303770035390 0.08333333333333 0.15913831296363 32.065 > 8 44 S 0.76303770035390 0.41666666666667 0.15913831296363 32.065 > 8 45 S 0.76303770035390 0.75000000000000 0.15913831296363 32.065 > 8 46 S 0.76303770035390 0.08333333333333 0.65913831296363 32.065 > 8 47 S 0.76303770035390 0.41666666666667 0.65913831296363 32.065 > 8 48 S 0.76303770035390 0.75000000000000 0.65913831296363 32.065 > 8 *49 S 0.35909680009172 0.08333333333333 0.46944786351502 32.065 > 9 50 S 0.35909680009172 0.41666666666667 0.46944786351502 32.065 > 9 51 S 0.35909680009172 0.75000000000000 0.46944786351502 32.065 > 9 52 S 0.35909680009172 0.08333333333333 0.96944786351502 32.065 > 9 53 S 0.35909680009172 0.41666666666667 0.96944786351502 32.065 > 9 54 S 0.35909680009172 0.75000000000000 0.96944786351502 32.065 > 9 55 S 0.64090319990828 0.25000000000000 0.03055213648498 32.065 > 10 56 S 0.64090319990828 0.58333333333333 0.03055213648498 32.065 > 10 57 S 0.64090319990828 0.91666666666667 0.03055213648498 32.065 > 10 58 S 0.64090319990828 0.25000000000000 0.53055213648498 32.065 > 10 59 S 0.64090319990828 0.58333333333333 0.53055213648498 32.065 > 10 60 S 0.64090319990828 0.91666666666667 0.53055213648498 32.065 > 10 61 S 0.14090319990828 0.25000000000000 0.21944786351502 32.065 > 11 62 S 0.14090319990828 0.58333333333333 0.21944786351502 32.065 > 11 63 S 0.14090319990828 0.91666666666667 0.21944786351502 32.065 > 11 64 S 0.14090319990828 0.25000000000000 0.71944786351502 32.065 > 11 65 S 0.14090319990828 0.58333333333333 0.71944786351502 32.065 > 11 66 S 0.14090319990828 0.91666666666667 0.71944786351502 32.065 > 11 67 S 0.85909680009172 0.08333333333333 0.28055213648498 32.065 > 12 68 S 0.85909680009172 0.41666666666667 0.28055213648498 32.065 > 12 69 S 0.85909680009172 0.75000000000000 0.28055213648498 32.065 > 12 70 S 0.85909680009172 0.08333333333333 0.78055213648498 32.065 > 12 71 S 0.85909680009172 0.41666666666667 0.78055213648498 32.065 > 12 72 S 0.85909680009172 0.75000000000000 0.78055213648498 32.065 > 12 *73 S 0.62285699609951 0.08333333333333 0.27135104822651 32.065 > 13 74 S 0.62285699609951 0.41666666666667 0.27135104822651 32.065 > 13 75 S 0.62285699609951 0.75000000000000 0.27135104822651 32.065 > 13 76 S 0.62285699609951 0.08333333333333 0.77135104822651 32.065 > 13 77 S 0.62285699609951 0.41666666666667 0.77135104822651 32.065 > 13 78 S 0.62285699609951 0.75000000000000 0.77135104822651 32.065 > 13 79 S 0.37714300390049 0.25000000000000 0.22864895177349 32.065 > 14 80 S 0.37714300390049 0.58333333333333 0.22864895177349 32.065 > 14 81 S 0.37714300390049 0.91666666666667 0.22864895177349 32.065 > 14 82 S 0.37714300390049 0.25000000000000 0.72864895177349 32.065 > 14 83 S 0.37714300390049 0.58333333333333 0.72864895177349 32.065 > 14 84 S 0.37714300390049 0.91666666666667 0.72864895177349 32.065 > 14 85 S 0.87714300390049 0.25000000000000 0.02135104822651 32.065 > 15 86 S 0.87714300390049 0.58333333333333 0.02135104822651 32.065 > 15 87 S 0.87714300390049 0.91666666666667 0.02135104822651 32.065 > 15 88 S 0.87714300390049 0.25000000000000 0.52135104822651 32.065 > 15 89 S 0.87714300390049 0.58333333333333 0.52135104822651 32.065 > 15 90 S 0.87714300390049 0.91666666666667 0.52135104822651 32.065 > 15 91 S 0.12285699609951 0.08333333333333 0.47864895177349 32.065 > 16 92 S 0.12285699609951 0.41666666666667 0.47864895177349 32.065 > 16 93 S 0.12285699609951 0.75000000000000 0.47864895177349 32.065 > 16 94 S 0.12285699609951 0.08333333333333 0.97864895177349 32.065 > 16 95 S 0.12285699609951 0.41666666666667 0.97864895177349 32.065 > 16 96 S 0.12285699609951 0.75000000000000 0.97864895177349 32.065 > 16 *97 Ir 0.80409786817409 0.08333333333333 0.46861848272033 192.217 > 17 98 Ir 0.80409786817409 0.41666666666667 0.46861848272033 192.217 > 17 99 Ir 0.80409786817409 0.75000000000000 0.46861848272033 192.217 > 17 100 Ir 0.80409786817409 0.08333333333333 0.96861848272033 192.217 > 17 101 Ir 0.80409786817409 0.41666666666667 0.96861848272033 192.217 > 17 102 Ir 0.80409786817409 0.75000000000000 0.96861848272033 192.217 > 17 103 Ir 0.19590213182591 0.25000000000000 0.03138151727967 192.217 > 18 104 Ir 0.19590213182591 0.58333333333333 0.03138151727967 192.217 > 18 105 Ir 0.19590213182591 0.91666666666667 0.03138151727967 192.217 > 18 106 Ir 0.19590213182591 0.25000000000000 0.53138151727967 192.217 > 18 107 Ir 0.19590213182591 0.58333333333333 0.53138151727967 192.217 > 18 108 Ir 0.19590213182591 0.91666666666667 0.53138151727967 192.217 > 18 109 Ir 0.69590213182591 0.25000000000000 0.21861848272033 192.217 > 19 110 Ir 0.69590213182591 0.58333333333333 0.21861848272033 192.217 > 19 111 Ir 0.69590213182591 0.91666666666667 0.21861848272033 192.217 > 19 112 Ir 0.69590213182591 0.25000000000000 0.71861848272033 192.217 > 19 113 Ir 0.69590213182591 0.58333333333333 0.71861848272033 192.217 > 19 114 Ir 0.69590213182591 0.91666666666667 0.71861848272033 192.217 > 19 115 Ir 0.30409786817409 0.08333333333333 0.28138151727967 192.217 > 20 116 Ir 0.30409786817409 0.41666666666667 0.28138151727967 192.217 > 20 117 Ir 0.30409786817409 0.75000000000000 0.28138151727967 192.217 > 20 118 Ir 0.30409786817409 0.08333333333333 0.78138151727967 192.217 > 20 119 Ir 0.30409786817409 0.41666666666667 0.78138151727967 192.217 > 20 120 Ir 0.30409786817409 0.75000000000000 0.78138151727967 192.217 > 20 *121 Ir 0.57762446021057 0.08333333333333 0.46287224260611 192.217 > 21 122 Ir 0.57762446021057 0.41666666666667 0.46287224260611 192.217 > 21 123 Ir 0.57762446021057 0.75000000000000 0.46287224260611 192.217 > 21 124 Ir 0.57762446021057 0.08333333333333 0.96287224260611 192.217 > 21 125 Ir 0.57762446021057 0.41666666666667 0.96287224260611 192.217 > 21 126 Ir 0.57762446021057 0.75000000000000 0.96287224260611 192.217 > 21 127 Ir 0.42237553978943 0.25000000000000 0.03712775739389 192.217 > 22 128 Ir 0.42237553978943 0.58333333333333 0.03712775739389 192.217 > 22 129 Ir 0.42237553978943 0.91666666666667 0.03712775739389 192.217 > 22 130 Ir 0.42237553978943 0.25000000000000 0.53712775739389 192.217 > 22 131 Ir 0.42237553978943 0.58333333333333 0.53712775739389 192.217 > 22 132 Ir 0.42237553978943 0.91666666666667 0.53712775739389 192.217 > 22 133 Ir 0.92237553978943 0.25000000000000 0.21287224260611 192.217 > 23 134 Ir 0.92237553978943 0.58333333333333 0.21287224260611 192.217 > 23 135 Ir 0.92237553978943 0.91666666666667 0.21287224260611 192.217 > 23 136 Ir 0.92237553978943 0.25000000000000 0.71287224260611 192.217 > 23 137 Ir 0.92237553978943 0.58333333333333 0.71287224260611 192.217 > 23 138 Ir 0.92237553978943 0.91666666666667 0.71287224260611 192.217 > 23 139 Ir 0.07762446021057 0.08333333333333 0.28712775739389 192.217 > 24 140 Ir 0.07762446021057 0.41666666666667 0.28712775739389 192.217 > 24 141 Ir 0.07762446021057 0.75000000000000 0.28712775739389 192.217 > 24 142 Ir 0.07762446021057 0.08333333333333 0.78712775739389 192.217 > 24 143 Ir 0.07762446021057 0.41666666666667 0.78712775739389 192.217 > 24 144 Ir 0.07762446021057 0.75000000000000 0.78712775739389 192.217 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.6275248 0.0000000 0.0000000 0.0000000 16.9960053 0.0000000 0.0000000 0.0000000 14.9046385 -------------------------- Born effective charges -------------------------- 1 S 0.4564099 0.0000000 0.2741856 0.0000000 -0.0843268 0.0000000 0.7380936 0.0000000 0.5193154 2 S 0.4564099 0.0000000 0.2741856 0.0000000 -0.0843268 0.0000000 0.7380936 0.0000000 0.5193154 3 S 0.4564099 0.0000000 -0.2741856 0.0000000 -0.0843268 0.0000000 -0.7380936 0.0000000 0.5193154 4 S 0.4564099 0.0000000 -0.2741856 0.0000000 -0.0843268 0.0000000 -0.7380936 0.0000000 0.5193154 5 S 1.4486900 0.0000000 -0.6130066 0.0000000 1.3500829 0.0000000 -0.8655983 0.0000000 1.7628176 6 S 1.4486900 0.0000000 -0.6130066 0.0000000 1.3500829 0.0000000 -0.8655983 0.0000000 1.7628176 7 S 1.4486900 0.0000000 0.6130066 0.0000000 1.3500829 0.0000000 0.8655983 0.0000000 1.7628176 8 S 1.4486900 0.0000000 0.6130066 0.0000000 1.3500829 0.0000000 0.8655983 0.0000000 1.7628176 9 S 2.4977156 0.0000000 -0.9574656 0.0000000 1.4470005 0.0000000 -0.2312678 0.0000000 1.6968545 10 S 2.4977156 0.0000000 -0.9574656 0.0000000 1.4470005 0.0000000 -0.2312678 0.0000000 1.6968545 11 S 2.4977156 0.0000000 0.9574656 0.0000000 1.4470005 0.0000000 0.2312678 0.0000000 1.6968545 12 S 2.4977156 0.0000000 0.9574656 0.0000000 1.4470005 0.0000000 0.2312678 0.0000000 1.6968545 13 S 0.5213344 0.0000000 0.5934897 0.0000000 0.6120229 0.0000000 0.2287862 0.0000000 1.5407447 14 S 0.5213344 0.0000000 0.5934897 0.0000000 0.6120229 0.0000000 0.2287862 0.0000000 1.5407447 15 S 0.5213344 0.0000000 -0.5934897 0.0000000 0.6120229 0.0000000 -0.2287862 0.0000000 1.5407447 16 S 0.5213344 0.0000000 -0.5934897 0.0000000 0.6120229 0.0000000 -0.2287862 0.0000000 1.5407447 17 Ir -3.3980468 0.0000000 -0.0882938 0.0000000 -2.3049548 0.0000000 0.1503371 0.0000000 -3.1348094 18 Ir -3.3980468 0.0000000 -0.0882938 0.0000000 -2.3049548 0.0000000 0.1503371 0.0000000 -3.1348094 19 Ir -3.3980468 0.0000000 0.0882938 0.0000000 -2.3049548 0.0000000 -0.1503371 0.0000000 -3.1348094 20 Ir -3.3980468 0.0000000 0.0882938 0.0000000 -2.3049548 0.0000000 -0.1503371 0.0000000 -3.1348094 21 Ir -1.5261031 0.0000000 -0.2272423 0.0000000 -1.0198248 0.0000000 -0.7519554 0.0000000 -2.3849228 22 Ir -1.5261031 0.0000000 -0.2272423 0.0000000 -1.0198248 0.0000000 -0.7519554 0.0000000 -2.3849228 23 Ir -1.5261031 0.0000000 0.2272423 0.0000000 -1.0198248 0.0000000 0.7519554 0.0000000 -2.3849228 24 Ir -1.5261031 0.0000000 0.2272423 0.0000000 -1.0198248 0.0000000 0.7519554 0.0000000 -2.3849228 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.777 Solver_block: 200 / 400 - Time: 0.734 Solver_block: 300 / 400 - Time: 0.743 Solver_block: 400 / 400 - Time: 0.747 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.077 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 67 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 21), data: (576, 33) @ (33, 21) |-- (76, 67), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-07 19:14:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:14:44]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 19.724047889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.577633819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.606756830000000 Atomic positions (fractional): 1 S 0.49138995014389 0.25000000000000 0.22439999066176 32.065 2 S 0.50861004985611 0.75000000000000 0.77560000933824 32.065 3 S 0.00861004985611 0.75000000000000 0.72439999066176 32.065 4 S 0.99138995014389 0.25000000000000 0.27560000933824 32.065 5 S 0.26303770035390 0.25000000000000 0.18172337407274 32.065 6 S 0.73696229964610 0.75000000000000 0.81827662592726 32.065 7 S 0.23696229964610 0.75000000000000 0.68172337407274 32.065 8 S 0.76303770035390 0.25000000000000 0.31827662592726 32.065 9 S 0.35909680009172 0.25000000000000 0.93889572703003 32.065 10 S 0.64090319990828 0.75000000000000 0.06110427296996 32.065 11 S 0.14090319990828 0.75000000000000 0.43889572703003 32.065 12 S 0.85909680009172 0.25000000000000 0.56110427296997 32.065 13 S 0.62285699609951 0.25000000000000 0.54270209645303 32.065 14 S 0.37714300390049 0.75000000000000 0.45729790354698 32.065 15 S 0.87714300390049 0.75000000000000 0.04270209645303 32.065 16 S 0.12285699609951 0.25000000000000 0.95729790354697 32.065 17 Ir 0.80409786817409 0.25000000000000 0.93723696544065 192.217 18 Ir 0.19590213182591 0.75000000000000 0.06276303455935 192.217 19 Ir 0.69590213182591 0.75000000000000 0.43723696544065 192.217 20 Ir 0.30409786817409 0.25000000000000 0.56276303455935 192.217 21 Ir 0.57762446021057 0.25000000000000 0.92574448521223 192.217 22 Ir 0.42237553978943 0.75000000000000 0.07425551478777 192.217 23 Ir 0.92237553978943 0.75000000000000 0.42574448521223 192.217 24 Ir 0.07762446021057 0.25000000000000 0.57425551478777 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.724047889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.732901459999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.213513660000000 Atomic positions (fractional): 1 S 0.49138995014389 0.08333333333333 0.11219999533088 32.065 > 1 2 S 0.49138995014389 0.41666666666667 0.11219999533088 32.065 > 1 3 S 0.49138995014389 0.75000000000000 0.11219999533088 32.065 > 1 4 S 0.49138995014389 0.08333333333333 0.61219999533088 32.065 > 1 5 S 0.49138995014389 0.41666666666667 0.61219999533088 32.065 > 1 6 S 0.49138995014389 0.75000000000000 0.61219999533088 32.065 > 1 7 S 0.50861004985611 0.25000000000000 0.38780000466912 32.065 > 7 8 S 0.50861004985611 0.58333333333333 0.38780000466912 32.065 > 7 9 S 0.50861004985611 0.91666666666667 0.38780000466912 32.065 > 7 10 S 0.50861004985611 0.25000000000000 0.88780000466912 32.065 > 7 11 S 0.50861004985611 0.58333333333333 0.88780000466912 32.065 > 7 12 S 0.50861004985611 0.91666666666667 0.88780000466912 32.065 > 7 13 S 0.00861004985611 0.25000000000000 0.36219999533088 32.065 > 13 14 S 0.00861004985611 0.58333333333333 0.36219999533088 32.065 > 13 15 S 0.00861004985611 0.91666666666667 0.36219999533088 32.065 > 13 16 S 0.00861004985611 0.25000000000000 0.86219999533088 32.065 > 13 17 S 0.00861004985611 0.58333333333333 0.86219999533088 32.065 > 13 18 S 0.00861004985611 0.91666666666667 0.86219999533088 32.065 > 13 19 S 0.99138995014389 0.08333333333333 0.13780000466912 32.065 > 19 20 S 0.99138995014389 0.41666666666667 0.13780000466912 32.065 > 19 21 S 0.99138995014389 0.75000000000000 0.13780000466912 32.065 > 19 22 S 0.99138995014389 0.08333333333333 0.63780000466912 32.065 > 19 23 S 0.99138995014389 0.41666666666667 0.63780000466912 32.065 > 19 24 S 0.99138995014389 0.75000000000000 0.63780000466912 32.065 > 19 25 S 0.26303770035390 0.08333333333333 0.09086168703637 32.065 > 25 26 S 0.26303770035390 0.41666666666667 0.09086168703637 32.065 > 25 27 S 0.26303770035390 0.75000000000000 0.09086168703637 32.065 > 25 28 S 0.26303770035390 0.08333333333333 0.59086168703637 32.065 > 25 29 S 0.26303770035390 0.41666666666667 0.59086168703637 32.065 > 25 30 S 0.26303770035390 0.75000000000000 0.59086168703637 32.065 > 25 31 S 0.73696229964610 0.25000000000000 0.40913831296363 32.065 > 31 32 S 0.73696229964610 0.58333333333333 0.40913831296363 32.065 > 31 33 S 0.73696229964610 0.91666666666667 0.40913831296363 32.065 > 31 34 S 0.73696229964610 0.25000000000000 0.90913831296363 32.065 > 31 35 S 0.73696229964610 0.58333333333333 0.90913831296363 32.065 > 31 36 S 0.73696229964610 0.91666666666667 0.90913831296363 32.065 > 31 37 S 0.23696229964610 0.25000000000000 0.34086168703637 32.065 > 37 38 S 0.23696229964610 0.58333333333333 0.34086168703637 32.065 > 37 39 S 0.23696229964610 0.91666666666667 0.34086168703637 32.065 > 37 40 S 0.23696229964610 0.25000000000000 0.84086168703637 32.065 > 37 41 S 0.23696229964610 0.58333333333333 0.84086168703637 32.065 > 37 42 S 0.23696229964610 0.91666666666667 0.84086168703637 32.065 > 37 43 S 0.76303770035390 0.08333333333333 0.15913831296363 32.065 > 43 44 S 0.76303770035390 0.41666666666667 0.15913831296363 32.065 > 43 45 S 0.76303770035390 0.75000000000000 0.15913831296363 32.065 > 43 46 S 0.76303770035390 0.08333333333333 0.65913831296363 32.065 > 43 47 S 0.76303770035390 0.41666666666667 0.65913831296363 32.065 > 43 48 S 0.76303770035390 0.75000000000000 0.65913831296363 32.065 > 43 49 S 0.35909680009172 0.08333333333333 0.46944786351502 32.065 > 49 50 S 0.35909680009172 0.41666666666667 0.46944786351502 32.065 > 49 51 S 0.35909680009172 0.75000000000000 0.46944786351502 32.065 > 49 52 S 0.35909680009172 0.08333333333333 0.96944786351502 32.065 > 49 53 S 0.35909680009172 0.41666666666667 0.96944786351502 32.065 > 49 54 S 0.35909680009172 0.75000000000000 0.96944786351502 32.065 > 49 55 S 0.64090319990828 0.25000000000000 0.03055213648498 32.065 > 55 56 S 0.64090319990828 0.58333333333333 0.03055213648498 32.065 > 55 57 S 0.64090319990828 0.91666666666667 0.03055213648498 32.065 > 55 58 S 0.64090319990828 0.25000000000000 0.53055213648498 32.065 > 55 59 S 0.64090319990828 0.58333333333333 0.53055213648498 32.065 > 55 60 S 0.64090319990828 0.91666666666667 0.53055213648498 32.065 > 55 61 S 0.14090319990828 0.25000000000000 0.21944786351502 32.065 > 61 62 S 0.14090319990828 0.58333333333333 0.21944786351502 32.065 > 61 63 S 0.14090319990828 0.91666666666667 0.21944786351502 32.065 > 61 64 S 0.14090319990828 0.25000000000000 0.71944786351502 32.065 > 61 65 S 0.14090319990828 0.58333333333333 0.71944786351502 32.065 > 61 66 S 0.14090319990828 0.91666666666667 0.71944786351502 32.065 > 61 67 S 0.85909680009172 0.08333333333333 0.28055213648498 32.065 > 67 68 S 0.85909680009172 0.41666666666667 0.28055213648498 32.065 > 67 69 S 0.85909680009172 0.75000000000000 0.28055213648498 32.065 > 67 70 S 0.85909680009172 0.08333333333333 0.78055213648498 32.065 > 67 71 S 0.85909680009172 0.41666666666667 0.78055213648498 32.065 > 67 72 S 0.85909680009172 0.75000000000000 0.78055213648498 32.065 > 67 73 S 0.62285699609951 0.08333333333333 0.27135104822651 32.065 > 73 74 S 0.62285699609951 0.41666666666667 0.27135104822651 32.065 > 73 75 S 0.62285699609951 0.75000000000000 0.27135104822651 32.065 > 73 76 S 0.62285699609951 0.08333333333333 0.77135104822651 32.065 > 73 77 S 0.62285699609951 0.41666666666667 0.77135104822651 32.065 > 73 78 S 0.62285699609951 0.75000000000000 0.77135104822651 32.065 > 73 79 S 0.37714300390049 0.25000000000000 0.22864895177349 32.065 > 79 80 S 0.37714300390049 0.58333333333333 0.22864895177349 32.065 > 79 81 S 0.37714300390049 0.91666666666667 0.22864895177349 32.065 > 79 82 S 0.37714300390049 0.25000000000000 0.72864895177349 32.065 > 79 83 S 0.37714300390049 0.58333333333333 0.72864895177349 32.065 > 79 84 S 0.37714300390049 0.91666666666667 0.72864895177349 32.065 > 79 85 S 0.87714300390049 0.25000000000000 0.02135104822651 32.065 > 85 86 S 0.87714300390049 0.58333333333333 0.02135104822651 32.065 > 85 87 S 0.87714300390049 0.91666666666667 0.02135104822651 32.065 > 85 88 S 0.87714300390049 0.25000000000000 0.52135104822651 32.065 > 85 89 S 0.87714300390049 0.58333333333333 0.52135104822651 32.065 > 85 90 S 0.87714300390049 0.91666666666667 0.52135104822651 32.065 > 85 91 S 0.12285699609951 0.08333333333333 0.47864895177349 32.065 > 91 92 S 0.12285699609951 0.41666666666667 0.47864895177349 32.065 > 91 93 S 0.12285699609951 0.75000000000000 0.47864895177349 32.065 > 91 94 S 0.12285699609951 0.08333333333333 0.97864895177349 32.065 > 91 95 S 0.12285699609951 0.41666666666667 0.97864895177349 32.065 > 91 96 S 0.12285699609951 0.75000000000000 0.97864895177349 32.065 > 91 97 Ir 0.80409786817409 0.08333333333333 0.46861848272033 192.217 > 97 98 Ir 0.80409786817409 0.41666666666667 0.46861848272033 192.217 > 97 99 Ir 0.80409786817409 0.75000000000000 0.46861848272033 192.217 > 97 100 Ir 0.80409786817409 0.08333333333333 0.96861848272033 192.217 > 97 101 Ir 0.80409786817409 0.41666666666667 0.96861848272033 192.217 > 97 102 Ir 0.80409786817409 0.75000000000000 0.96861848272033 192.217 > 97 103 Ir 0.19590213182591 0.25000000000000 0.03138151727967 192.217 > 103 104 Ir 0.19590213182591 0.58333333333333 0.03138151727967 192.217 > 103 105 Ir 0.19590213182591 0.91666666666667 0.03138151727967 192.217 > 103 106 Ir 0.19590213182591 0.25000000000000 0.53138151727967 192.217 > 103 107 Ir 0.19590213182591 0.58333333333333 0.53138151727967 192.217 > 103 108 Ir 0.19590213182591 0.91666666666667 0.53138151727967 192.217 > 103 109 Ir 0.69590213182591 0.25000000000000 0.21861848272033 192.217 > 109 110 Ir 0.69590213182591 0.58333333333333 0.21861848272033 192.217 > 109 111 Ir 0.69590213182591 0.91666666666667 0.21861848272033 192.217 > 109 112 Ir 0.69590213182591 0.25000000000000 0.71861848272033 192.217 > 109 113 Ir 0.69590213182591 0.58333333333333 0.71861848272033 192.217 > 109 114 Ir 0.69590213182591 0.91666666666667 0.71861848272033 192.217 > 109 115 Ir 0.30409786817409 0.08333333333333 0.28138151727967 192.217 > 115 116 Ir 0.30409786817409 0.41666666666667 0.28138151727967 192.217 > 115 117 Ir 0.30409786817409 0.75000000000000 0.28138151727967 192.217 > 115 118 Ir 0.30409786817409 0.08333333333333 0.78138151727967 192.217 > 115 119 Ir 0.30409786817409 0.41666666666667 0.78138151727967 192.217 > 115 120 Ir 0.30409786817409 0.75000000000000 0.78138151727967 192.217 > 115 121 Ir 0.57762446021057 0.08333333333333 0.46287224260611 192.217 > 121 122 Ir 0.57762446021057 0.41666666666667 0.46287224260611 192.217 > 121 123 Ir 0.57762446021057 0.75000000000000 0.46287224260611 192.217 > 121 124 Ir 0.57762446021057 0.08333333333333 0.96287224260611 192.217 > 121 125 Ir 0.57762446021057 0.41666666666667 0.96287224260611 192.217 > 121 126 Ir 0.57762446021057 0.75000000000000 0.96287224260611 192.217 > 121 127 Ir 0.42237553978943 0.25000000000000 0.03712775739389 192.217 > 127 128 Ir 0.42237553978943 0.58333333333333 0.03712775739389 192.217 > 127 129 Ir 0.42237553978943 0.91666666666667 0.03712775739389 192.217 > 127 130 Ir 0.42237553978943 0.25000000000000 0.53712775739389 192.217 > 127 131 Ir 0.42237553978943 0.58333333333333 0.53712775739389 192.217 > 127 132 Ir 0.42237553978943 0.91666666666667 0.53712775739389 192.217 > 127 133 Ir 0.92237553978943 0.25000000000000 0.21287224260611 192.217 > 133 134 Ir 0.92237553978943 0.58333333333333 0.21287224260611 192.217 > 133 135 Ir 0.92237553978943 0.91666666666667 0.21287224260611 192.217 > 133 136 Ir 0.92237553978943 0.25000000000000 0.71287224260611 192.217 > 133 137 Ir 0.92237553978943 0.58333333333333 0.71287224260611 192.217 > 133 138 Ir 0.92237553978943 0.91666666666667 0.71287224260611 192.217 > 133 139 Ir 0.07762446021057 0.08333333333333 0.28712775739389 192.217 > 139 140 Ir 0.07762446021057 0.41666666666667 0.28712775739389 192.217 > 139 141 Ir 0.07762446021057 0.75000000000000 0.28712775739389 192.217 > 139 142 Ir 0.07762446021057 0.08333333333333 0.78712775739389 192.217 > 139 143 Ir 0.07762446021057 0.41666666666667 0.78712775739389 192.217 > 139 144 Ir 0.07762446021057 0.75000000000000 0.78712775739389 192.217 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.6275248 0.0000000 0.0000000 0.0000000 16.9960053 0.0000000 0.0000000 0.0000000 14.9046385 -------------------------- Born effective charges -------------------------- 1 S 0.4564099 0.0000000 0.2741856 0.0000000 -0.0843268 0.0000000 0.7380936 0.0000000 0.5193154 2 S 0.4564099 0.0000000 0.2741856 0.0000000 -0.0843268 0.0000000 0.7380936 0.0000000 0.5193154 3 S 0.4564099 0.0000000 -0.2741856 0.0000000 -0.0843268 0.0000000 -0.7380936 0.0000000 0.5193154 4 S 0.4564099 0.0000000 -0.2741856 0.0000000 -0.0843268 0.0000000 -0.7380936 0.0000000 0.5193154 5 S 1.4486900 0.0000000 -0.6130066 0.0000000 1.3500829 0.0000000 -0.8655983 0.0000000 1.7628176 6 S 1.4486900 0.0000000 -0.6130066 0.0000000 1.3500829 0.0000000 -0.8655983 0.0000000 1.7628176 7 S 1.4486900 0.0000000 0.6130066 0.0000000 1.3500829 0.0000000 0.8655983 0.0000000 1.7628176 8 S 1.4486900 0.0000000 0.6130066 0.0000000 1.3500829 0.0000000 0.8655983 0.0000000 1.7628176 9 S 2.4977156 0.0000000 -0.9574656 0.0000000 1.4470005 0.0000000 -0.2312678 0.0000000 1.6968545 10 S 2.4977156 0.0000000 -0.9574656 0.0000000 1.4470005 0.0000000 -0.2312678 0.0000000 1.6968545 11 S 2.4977156 0.0000000 0.9574656 0.0000000 1.4470005 0.0000000 0.2312678 0.0000000 1.6968545 12 S 2.4977156 0.0000000 0.9574656 0.0000000 1.4470005 0.0000000 0.2312678 0.0000000 1.6968545 13 S 0.5213344 0.0000000 0.5934897 0.0000000 0.6120229 0.0000000 0.2287862 0.0000000 1.5407447 14 S 0.5213344 0.0000000 0.5934897 0.0000000 0.6120229 0.0000000 0.2287862 0.0000000 1.5407447 15 S 0.5213344 0.0000000 -0.5934897 0.0000000 0.6120229 0.0000000 -0.2287862 0.0000000 1.5407447 16 S 0.5213344 0.0000000 -0.5934897 0.0000000 0.6120229 0.0000000 -0.2287862 0.0000000 1.5407447 17 Ir -3.3980468 0.0000000 -0.0882938 0.0000000 -2.3049548 0.0000000 0.1503371 0.0000000 -3.1348094 18 Ir -3.3980468 0.0000000 -0.0882938 0.0000000 -2.3049548 0.0000000 0.1503371 0.0000000 -3.1348094 19 Ir -3.3980468 0.0000000 0.0882938 0.0000000 -2.3049548 0.0000000 -0.1503371 0.0000000 -3.1348094 20 Ir -3.3980468 0.0000000 0.0882938 0.0000000 -2.3049548 0.0000000 -0.1503371 0.0000000 -3.1348094 21 Ir -1.5261031 0.0000000 -0.2272423 0.0000000 -1.0198248 0.0000000 -0.7519554 0.0000000 -2.3849228 22 Ir -1.5261031 0.0000000 -0.2272423 0.0000000 -1.0198248 0.0000000 -0.7519554 0.0000000 -2.3849228 23 Ir -1.5261031 0.0000000 0.2272423 0.0000000 -1.0198248 0.0000000 0.7519554 0.0000000 -2.3849228 24 Ir -1.5261031 0.0000000 0.2272423 0.0000000 -1.0198248 0.0000000 0.7519554 0.0000000 -2.3849228 ---------------------------------------------------------------------------- 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[ 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[ 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, 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: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) 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 2026-01-07 19:15:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:15:15]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 19.724047889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 3.577633819999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.606756830000000 Atomic positions (fractional): 1 S 0.49138995014389 0.25000000000000 0.22439999066176 32.065 2 S 0.50861004985611 0.75000000000000 0.77560000933824 32.065 3 S 0.00861004985611 0.75000000000000 0.72439999066176 32.065 4 S 0.99138995014389 0.25000000000000 0.27560000933824 32.065 5 S 0.26303770035390 0.25000000000000 0.18172337407274 32.065 6 S 0.73696229964610 0.75000000000000 0.81827662592726 32.065 7 S 0.23696229964610 0.75000000000000 0.68172337407274 32.065 8 S 0.76303770035390 0.25000000000000 0.31827662592726 32.065 9 S 0.35909680009172 0.25000000000000 0.93889572703003 32.065 10 S 0.64090319990828 0.75000000000000 0.06110427296996 32.065 11 S 0.14090319990828 0.75000000000000 0.43889572703003 32.065 12 S 0.85909680009172 0.25000000000000 0.56110427296997 32.065 13 S 0.62285699609951 0.25000000000000 0.54270209645303 32.065 14 S 0.37714300390049 0.75000000000000 0.45729790354698 32.065 15 S 0.87714300390049 0.75000000000000 0.04270209645303 32.065 16 S 0.12285699609951 0.25000000000000 0.95729790354697 32.065 17 Ir 0.80409786817409 0.25000000000000 0.93723696544065 192.217 18 Ir 0.19590213182591 0.75000000000000 0.06276303455935 192.217 19 Ir 0.69590213182591 0.75000000000000 0.43723696544065 192.217 20 Ir 0.30409786817409 0.25000000000000 0.56276303455935 192.217 21 Ir 0.57762446021057 0.25000000000000 0.92574448521223 192.217 22 Ir 0.42237553978943 0.75000000000000 0.07425551478777 192.217 23 Ir 0.92237553978943 0.75000000000000 0.42574448521223 192.217 24 Ir 0.07762446021057 0.25000000000000 0.57425551478777 192.217 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.724047889999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.732901459999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.213513660000000 Atomic positions (fractional): 1 S 0.49138995014389 0.08333333333333 0.11219999533088 32.065 > 1 2 S 0.49138995014389 0.41666666666667 0.11219999533088 32.065 > 1 3 S 0.49138995014389 0.75000000000000 0.11219999533088 32.065 > 1 4 S 0.49138995014389 0.08333333333333 0.61219999533088 32.065 > 1 5 S 0.49138995014389 0.41666666666667 0.61219999533088 32.065 > 1 6 S 0.49138995014389 0.75000000000000 0.61219999533088 32.065 > 1 7 S 0.50861004985611 0.25000000000000 0.38780000466912 32.065 > 7 8 S 0.50861004985611 0.58333333333333 0.38780000466912 32.065 > 7 9 S 0.50861004985611 0.91666666666667 0.38780000466912 32.065 > 7 10 S 0.50861004985611 0.25000000000000 0.88780000466912 32.065 > 7 11 S 0.50861004985611 0.58333333333333 0.88780000466912 32.065 > 7 12 S 0.50861004985611 0.91666666666667 0.88780000466912 32.065 > 7 13 S 0.00861004985611 0.25000000000000 0.36219999533088 32.065 > 13 14 S 0.00861004985611 0.58333333333333 0.36219999533088 32.065 > 13 15 S 0.00861004985611 0.91666666666667 0.36219999533088 32.065 > 13 16 S 0.00861004985611 0.25000000000000 0.86219999533088 32.065 > 13 17 S 0.00861004985611 0.58333333333333 0.86219999533088 32.065 > 13 18 S 0.00861004985611 0.91666666666667 0.86219999533088 32.065 > 13 19 S 0.99138995014389 0.08333333333333 0.13780000466912 32.065 > 19 20 S 0.99138995014389 0.41666666666667 0.13780000466912 32.065 > 19 21 S 0.99138995014389 0.75000000000000 0.13780000466912 32.065 > 19 22 S 0.99138995014389 0.08333333333333 0.63780000466912 32.065 > 19 23 S 0.99138995014389 0.41666666666667 0.63780000466912 32.065 > 19 24 S 0.99138995014389 0.75000000000000 0.63780000466912 32.065 > 19 25 S 0.26303770035390 0.08333333333333 0.09086168703637 32.065 > 25 26 S 0.26303770035390 0.41666666666667 0.09086168703637 32.065 > 25 27 S 0.26303770035390 0.75000000000000 0.09086168703637 32.065 > 25 28 S 0.26303770035390 0.08333333333333 0.59086168703637 32.065 > 25 29 S 0.26303770035390 0.41666666666667 0.59086168703637 32.065 > 25 30 S 0.26303770035390 0.75000000000000 0.59086168703637 32.065 > 25 31 S 0.73696229964610 0.25000000000000 0.40913831296363 32.065 > 31 32 S 0.73696229964610 0.58333333333333 0.40913831296363 32.065 > 31 33 S 0.73696229964610 0.91666666666667 0.40913831296363 32.065 > 31 34 S 0.73696229964610 0.25000000000000 0.90913831296363 32.065 > 31 35 S 0.73696229964610 0.58333333333333 0.90913831296363 32.065 > 31 36 S 0.73696229964610 0.91666666666667 0.90913831296363 32.065 > 31 37 S 0.23696229964610 0.25000000000000 0.34086168703637 32.065 > 37 38 S 0.23696229964610 0.58333333333333 0.34086168703637 32.065 > 37 39 S 0.23696229964610 0.91666666666667 0.34086168703637 32.065 > 37 40 S 0.23696229964610 0.25000000000000 0.84086168703637 32.065 > 37 41 S 0.23696229964610 0.58333333333333 0.84086168703637 32.065 > 37 42 S 0.23696229964610 0.91666666666667 0.84086168703637 32.065 > 37 43 S 0.76303770035390 0.08333333333333 0.15913831296363 32.065 > 43 44 S 0.76303770035390 0.41666666666667 0.15913831296363 32.065 > 43 45 S 0.76303770035390 0.75000000000000 0.15913831296363 32.065 > 43 46 S 0.76303770035390 0.08333333333333 0.65913831296363 32.065 > 43 47 S 0.76303770035390 0.41666666666667 0.65913831296363 32.065 > 43 48 S 0.76303770035390 0.75000000000000 0.65913831296363 32.065 > 43 49 S 0.35909680009172 0.08333333333333 0.46944786351502 32.065 > 49 50 S 0.35909680009172 0.41666666666667 0.46944786351502 32.065 > 49 51 S 0.35909680009172 0.75000000000000 0.46944786351502 32.065 > 49 52 S 0.35909680009172 0.08333333333333 0.96944786351502 32.065 > 49 53 S 0.35909680009172 0.41666666666667 0.96944786351502 32.065 > 49 54 S 0.35909680009172 0.75000000000000 0.96944786351502 32.065 > 49 55 S 0.64090319990828 0.25000000000000 0.03055213648498 32.065 > 55 56 S 0.64090319990828 0.58333333333333 0.03055213648498 32.065 > 55 57 S 0.64090319990828 0.91666666666667 0.03055213648498 32.065 > 55 58 S 0.64090319990828 0.25000000000000 0.53055213648498 32.065 > 55 59 S 0.64090319990828 0.58333333333333 0.53055213648498 32.065 > 55 60 S 0.64090319990828 0.91666666666667 0.53055213648498 32.065 > 55 61 S 0.14090319990828 0.25000000000000 0.21944786351502 32.065 > 61 62 S 0.14090319990828 0.58333333333333 0.21944786351502 32.065 > 61 63 S 0.14090319990828 0.91666666666667 0.21944786351502 32.065 > 61 64 S 0.14090319990828 0.25000000000000 0.71944786351502 32.065 > 61 65 S 0.14090319990828 0.58333333333333 0.71944786351502 32.065 > 61 66 S 0.14090319990828 0.91666666666667 0.71944786351502 32.065 > 61 67 S 0.85909680009172 0.08333333333333 0.28055213648498 32.065 > 67 68 S 0.85909680009172 0.41666666666667 0.28055213648498 32.065 > 67 69 S 0.85909680009172 0.75000000000000 0.28055213648498 32.065 > 67 70 S 0.85909680009172 0.08333333333333 0.78055213648498 32.065 > 67 71 S 0.85909680009172 0.41666666666667 0.78055213648498 32.065 > 67 72 S 0.85909680009172 0.75000000000000 0.78055213648498 32.065 > 67 73 S 0.62285699609951 0.08333333333333 0.27135104822651 32.065 > 73 74 S 0.62285699609951 0.41666666666667 0.27135104822651 32.065 > 73 75 S 0.62285699609951 0.75000000000000 0.27135104822651 32.065 > 73 76 S 0.62285699609951 0.08333333333333 0.77135104822651 32.065 > 73 77 S 0.62285699609951 0.41666666666667 0.77135104822651 32.065 > 73 78 S 0.62285699609951 0.75000000000000 0.77135104822651 32.065 > 73 79 S 0.37714300390049 0.25000000000000 0.22864895177349 32.065 > 79 80 S 0.37714300390049 0.58333333333333 0.22864895177349 32.065 > 79 81 S 0.37714300390049 0.91666666666667 0.22864895177349 32.065 > 79 82 S 0.37714300390049 0.25000000000000 0.72864895177349 32.065 > 79 83 S 0.37714300390049 0.58333333333333 0.72864895177349 32.065 > 79 84 S 0.37714300390049 0.91666666666667 0.72864895177349 32.065 > 79 85 S 0.87714300390049 0.25000000000000 0.02135104822651 32.065 > 85 86 S 0.87714300390049 0.58333333333333 0.02135104822651 32.065 > 85 87 S 0.87714300390049 0.91666666666667 0.02135104822651 32.065 > 85 88 S 0.87714300390049 0.25000000000000 0.52135104822651 32.065 > 85 89 S 0.87714300390049 0.58333333333333 0.52135104822651 32.065 > 85 90 S 0.87714300390049 0.91666666666667 0.52135104822651 32.065 > 85 91 S 0.12285699609951 0.08333333333333 0.47864895177349 32.065 > 91 92 S 0.12285699609951 0.41666666666667 0.47864895177349 32.065 > 91 93 S 0.12285699609951 0.75000000000000 0.47864895177349 32.065 > 91 94 S 0.12285699609951 0.08333333333333 0.97864895177349 32.065 > 91 95 S 0.12285699609951 0.41666666666667 0.97864895177349 32.065 > 91 96 S 0.12285699609951 0.75000000000000 0.97864895177349 32.065 > 91 97 Ir 0.80409786817409 0.08333333333333 0.46861848272033 192.217 > 97 98 Ir 0.80409786817409 0.41666666666667 0.46861848272033 192.217 > 97 99 Ir 0.80409786817409 0.75000000000000 0.46861848272033 192.217 > 97 100 Ir 0.80409786817409 0.08333333333333 0.96861848272033 192.217 > 97 101 Ir 0.80409786817409 0.41666666666667 0.96861848272033 192.217 > 97 102 Ir 0.80409786817409 0.75000000000000 0.96861848272033 192.217 > 97 103 Ir 0.19590213182591 0.25000000000000 0.03138151727967 192.217 > 103 104 Ir 0.19590213182591 0.58333333333333 0.03138151727967 192.217 > 103 105 Ir 0.19590213182591 0.91666666666667 0.03138151727967 192.217 > 103 106 Ir 0.19590213182591 0.25000000000000 0.53138151727967 192.217 > 103 107 Ir 0.19590213182591 0.58333333333333 0.53138151727967 192.217 > 103 108 Ir 0.19590213182591 0.91666666666667 0.53138151727967 192.217 > 103 109 Ir 0.69590213182591 0.25000000000000 0.21861848272033 192.217 > 109 110 Ir 0.69590213182591 0.58333333333333 0.21861848272033 192.217 > 109 111 Ir 0.69590213182591 0.91666666666667 0.21861848272033 192.217 > 109 112 Ir 0.69590213182591 0.25000000000000 0.71861848272033 192.217 > 109 113 Ir 0.69590213182591 0.58333333333333 0.71861848272033 192.217 > 109 114 Ir 0.69590213182591 0.91666666666667 0.71861848272033 192.217 > 109 115 Ir 0.30409786817409 0.08333333333333 0.28138151727967 192.217 > 115 116 Ir 0.30409786817409 0.41666666666667 0.28138151727967 192.217 > 115 117 Ir 0.30409786817409 0.75000000000000 0.28138151727967 192.217 > 115 118 Ir 0.30409786817409 0.08333333333333 0.78138151727967 192.217 > 115 119 Ir 0.30409786817409 0.41666666666667 0.78138151727967 192.217 > 115 120 Ir 0.30409786817409 0.75000000000000 0.78138151727967 192.217 > 115 121 Ir 0.57762446021057 0.08333333333333 0.46287224260611 192.217 > 121 122 Ir 0.57762446021057 0.41666666666667 0.46287224260611 192.217 > 121 123 Ir 0.57762446021057 0.75000000000000 0.46287224260611 192.217 > 121 124 Ir 0.57762446021057 0.08333333333333 0.96287224260611 192.217 > 121 125 Ir 0.57762446021057 0.41666666666667 0.96287224260611 192.217 > 121 126 Ir 0.57762446021057 0.75000000000000 0.96287224260611 192.217 > 121 127 Ir 0.42237553978943 0.25000000000000 0.03712775739389 192.217 > 127 128 Ir 0.42237553978943 0.58333333333333 0.03712775739389 192.217 > 127 129 Ir 0.42237553978943 0.91666666666667 0.03712775739389 192.217 > 127 130 Ir 0.42237553978943 0.25000000000000 0.53712775739389 192.217 > 127 131 Ir 0.42237553978943 0.58333333333333 0.53712775739389 192.217 > 127 132 Ir 0.42237553978943 0.91666666666667 0.53712775739389 192.217 > 127 133 Ir 0.92237553978943 0.25000000000000 0.21287224260611 192.217 > 133 134 Ir 0.92237553978943 0.58333333333333 0.21287224260611 192.217 > 133 135 Ir 0.92237553978943 0.91666666666667 0.21287224260611 192.217 > 133 136 Ir 0.92237553978943 0.25000000000000 0.71287224260611 192.217 > 133 137 Ir 0.92237553978943 0.58333333333333 0.71287224260611 192.217 > 133 138 Ir 0.92237553978943 0.91666666666667 0.71287224260611 192.217 > 133 139 Ir 0.07762446021057 0.08333333333333 0.28712775739389 192.217 > 139 140 Ir 0.07762446021057 0.41666666666667 0.28712775739389 192.217 > 139 141 Ir 0.07762446021057 0.75000000000000 0.28712775739389 192.217 > 139 142 Ir 0.07762446021057 0.08333333333333 0.78712775739389 192.217 > 139 143 Ir 0.07762446021057 0.41666666666667 0.78712775739389 192.217 > 139 144 Ir 0.07762446021057 0.75000000000000 0.78712775739389 192.217 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 18.6275248 0.0000000 0.0000000 0.0000000 16.9960053 0.0000000 0.0000000 0.0000000 14.9046385 -------------------------- Born effective charges -------------------------- 1 S 0.4564099 0.0000000 0.2741856 0.0000000 -0.0843268 0.0000000 0.7380936 0.0000000 0.5193154 2 S 0.4564099 0.0000000 0.2741856 0.0000000 -0.0843268 0.0000000 0.7380936 0.0000000 0.5193154 3 S 0.4564099 0.0000000 -0.2741856 0.0000000 -0.0843268 0.0000000 -0.7380936 0.0000000 0.5193154 4 S 0.4564099 0.0000000 -0.2741856 0.0000000 -0.0843268 0.0000000 -0.7380936 0.0000000 0.5193154 5 S 1.4486900 0.0000000 -0.6130066 0.0000000 1.3500829 0.0000000 -0.8655983 0.0000000 1.7628176 6 S 1.4486900 0.0000000 -0.6130066 0.0000000 1.3500829 0.0000000 -0.8655983 0.0000000 1.7628176 7 S 1.4486900 0.0000000 0.6130066 0.0000000 1.3500829 0.0000000 0.8655983 0.0000000 1.7628176 8 S 1.4486900 0.0000000 0.6130066 0.0000000 1.3500829 0.0000000 0.8655983 0.0000000 1.7628176 9 S 2.4977156 0.0000000 -0.9574656 0.0000000 1.4470005 0.0000000 -0.2312678 0.0000000 1.6968545 10 S 2.4977156 0.0000000 -0.9574656 0.0000000 1.4470005 0.0000000 -0.2312678 0.0000000 1.6968545 11 S 2.4977156 0.0000000 0.9574656 0.0000000 1.4470005 0.0000000 0.2312678 0.0000000 1.6968545 12 S 2.4977156 0.0000000 0.9574656 0.0000000 1.4470005 0.0000000 0.2312678 0.0000000 1.6968545 13 S 0.5213344 0.0000000 0.5934897 0.0000000 0.6120229 0.0000000 0.2287862 0.0000000 1.5407447 14 S 0.5213344 0.0000000 0.5934897 0.0000000 0.6120229 0.0000000 0.2287862 0.0000000 1.5407447 15 S 0.5213344 0.0000000 -0.5934897 0.0000000 0.6120229 0.0000000 -0.2287862 0.0000000 1.5407447 16 S 0.5213344 0.0000000 -0.5934897 0.0000000 0.6120229 0.0000000 -0.2287862 0.0000000 1.5407447 17 Ir -3.3980468 0.0000000 -0.0882938 0.0000000 -2.3049548 0.0000000 0.1503371 0.0000000 -3.1348094 18 Ir -3.3980468 0.0000000 -0.0882938 0.0000000 -2.3049548 0.0000000 0.1503371 0.0000000 -3.1348094 19 Ir -3.3980468 0.0000000 0.0882938 0.0000000 -2.3049548 0.0000000 -0.1503371 0.0000000 -3.1348094 20 Ir -3.3980468 0.0000000 0.0882938 0.0000000 -2.3049548 0.0000000 -0.1503371 0.0000000 -3.1348094 21 Ir -1.5261031 0.0000000 -0.2272423 0.0000000 -1.0198248 0.0000000 -0.7519554 0.0000000 -2.3849228 22 Ir -1.5261031 0.0000000 -0.2272423 0.0000000 -1.0198248 0.0000000 -0.7519554 0.0000000 -2.3849228 23 Ir -1.5261031 0.0000000 0.2272423 0.0000000 -1.0198248 0.0000000 0.7519554 0.0000000 -2.3849228 24 Ir -1.5261031 0.0000000 0.2272423 0.0000000 -1.0198248 0.0000000 0.7519554 0.0000000 -2.3849228 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 3 14 9 ] 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: 0.57, Number of G-points: 285, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.273 ( 0.000 0.000 0.000) 0.000 1.332 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 7.149 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 0.000) 0.000 7.858 ( 0.000 0.000 0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 8.873 ( 0.000 0.000 0.000) 0.000 9.191 ( 0.000 0.000 0.000) 0.000 9.193 ( 0.000 0.000 0.000) 0.000 9.283 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.643 ( 0.000 0.000 0.000) 0.000 9.823 ( 0.000 0.000 0.000) 0.000 10.004 ( 0.000 0.000 0.000) 0.000 10.059 ( 0.000 0.000 0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 10.080 ( 0.000 0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.142 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.469 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.498 ( 0.000 0.000 0.000) 0.000 10.592 ( 0.000 0.000 0.000) 0.000 10.687 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 10.747 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 11.247 ( 0.000 0.000 0.000) 0.000 11.254 ( 0.000 0.000 0.000) 0.000 11.386 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.398 ( 0.000 0.000 0.000) 0.000 11.432 ( 0.000 0.000 0.000) 0.000 11.547 ( 0.000 0.000 0.000) 0.000 11.564 ( 0.000 0.000 0.000) 0.000 12.106 ( 0.000 0.000 0.000) 0.000 12.277 ( 0.000 0.000 0.000) 0.000 12.282 ( 0.000 0.000 0.000) 0.000 12.291 ( 0.000 0.000 0.000) 0.000 12.935 ( 0.000 0.000 0.000) 0.000 13.131 ( 0.000 0.000 0.000) 0.000 14.397 ( 0.000 0.000 0.000) 0.000 14.504 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 29.840 0.000 0.000) 29.840 0.528 ( 30.732 0.000 0.000) 30.732 0.825 ( 43.003 0.000 0.000) 43.003 0.992 ( -25.956 0.000 0.000) 25.956 1.050 ( -21.239 0.000 0.000) 21.239 1.646 ( -44.649 0.000 0.000) 44.649 2.180 ( 22.218 0.000 0.000) 22.218 2.325 ( 24.916 0.000 0.000) 24.916 2.565 ( -22.234 0.000 0.000) 22.234 2.750 ( -22.898 0.000 0.000) 22.898 3.084 ( 30.932 0.000 0.000) 30.932 3.211 ( 15.300 0.000 0.000) 15.300 3.436 ( -11.208 0.000 0.000) 11.208 3.559 ( -24.323 0.000 0.000) 24.323 3.747 ( 4.773 0.000 0.000) 4.773 3.766 ( 15.563 0.000 0.000) 15.563 3.809 ( -2.478 0.000 0.000) 2.478 3.968 ( -5.986 0.000 0.000) 5.986 4.246 ( 6.781 0.000 0.000) 6.781 4.345 ( -3.981 0.000 0.000) 3.981 4.713 ( 3.657 0.000 0.000) 3.657 4.822 ( -8.983 0.000 0.000) 8.983 5.252 ( 8.670 0.000 0.000) 8.670 5.369 ( -4.771 0.000 0.000) 4.771 7.307 ( 0.307 0.000 0.000) 0.307 7.311 ( -0.098 0.000 0.000) 0.098 7.859 ( 0.233 0.000 0.000) 0.233 7.867 ( -0.686 0.000 0.000) 0.686 8.312 ( 4.953 0.000 0.000) 4.953 8.418 ( -6.830 0.000 0.000) 6.830 8.786 ( 0.120 0.000 0.000) 0.120 8.788 ( -0.119 0.000 0.000) 0.119 9.040 ( 9.547 0.000 0.000) 9.547 9.192 ( 0.051 0.000 0.000) 0.051 9.193 ( -0.044 0.000 0.000) 0.044 9.200 ( -8.284 0.000 0.000) 8.284 9.495 ( 5.297 0.000 0.000) 5.297 9.591 ( -5.324 0.000 0.000) 5.324 10.007 ( 0.606 0.000 0.000) 0.606 10.029 ( -2.029 0.000 0.000) 2.029 10.068 ( 0.488 0.000 0.000) 0.488 10.078 ( -0.674 0.000 0.000) 0.674 10.089 ( 1.027 0.000 0.000) 1.027 10.111 ( -1.516 0.000 0.000) 1.516 10.150 ( 0.327 0.000 0.000) 0.327 10.151 ( 0.118 0.000 0.000) 0.118 10.291 ( 8.069 0.000 0.000) 8.069 10.425 ( -6.893 0.000 0.000) 6.893 10.478 ( 0.908 0.000 0.000) 0.908 10.492 ( -0.600 0.000 0.000) 0.600 10.636 ( 3.932 0.000 0.000) 3.932 10.695 ( 0.929 0.000 0.000) 0.929 10.700 ( -3.079 0.000 0.000) 3.079 10.717 ( -1.742 0.000 0.000) 1.742 10.804 ( 2.891 0.000 0.000) 2.891 10.849 ( -2.106 0.000 0.000) 2.106 11.249 ( 0.169 0.000 0.000) 0.169 11.252 ( -0.197 0.000 0.000) 0.197 11.395 ( 0.107 0.000 0.000) 0.107 11.397 ( 1.228 0.000 0.000) 1.228 11.397 ( -0.108 0.000 0.000) 0.108 11.420 ( -1.271 0.000 0.000) 1.271 11.552 ( 0.494 0.000 0.000) 0.494 11.560 ( -0.384 0.000 0.000) 0.384 12.145 ( 4.243 0.000 0.000) 4.243 12.228 ( -4.752 0.000 0.000) 4.752 12.286 ( 0.425 0.000 0.000) 0.425 12.294 ( -0.314 0.000 0.000) 0.314 12.987 ( 5.425 0.000 0.000) 5.425 13.084 ( -5.082 0.000 0.000) 5.082 14.426 ( 3.040 0.000 0.000) 3.040 14.480 ( -2.780 0.000 0.000) 2.780 ======================= Grid point 3 (3/80) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 26.077 0.000) 26.077 0.659 ( 0.000 33.391 0.000) 33.391 1.151 ( 0.000 55.095 0.000) 55.095 1.442 ( 0.000 12.236 0.000) 12.236 1.460 ( 0.000 16.438 0.000) 16.438 1.769 ( 0.000 -4.869 0.000) 4.869 2.099 ( 0.000 5.332 0.000) 5.332 2.584 ( 0.000 24.735 0.000) 24.735 2.798 ( 0.000 18.542 0.000) 18.542 3.001 ( 0.000 10.175 0.000) 10.175 3.026 ( 0.000 7.530 0.000) 7.530 3.088 ( 0.000 7.694 0.000) 7.694 3.607 ( 0.000 3.232 0.000) 3.232 3.687 ( 0.000 12.336 0.000) 12.336 3.783 ( 0.000 10.006 0.000) 10.006 3.864 ( 0.000 5.595 0.000) 5.595 3.910 ( 0.000 3.637 0.000) 3.637 4.031 ( 0.000 12.598 0.000) 12.598 4.195 ( 0.000 1.112 0.000) 1.112 4.400 ( 0.000 2.534 0.000) 2.534 4.677 ( 0.000 -0.810 0.000) 0.810 4.952 ( 0.000 0.429 0.000) 0.429 5.128 ( 0.000 -0.422 0.000) 0.422 5.397 ( 0.000 -1.140 0.000) 1.140 7.197 ( 0.000 4.707 0.000) 4.707 7.334 ( 0.000 2.535 0.000) 2.535 7.876 ( 0.000 0.083 0.000) 0.083 7.885 ( 0.000 2.486 0.000) 2.486 8.305 ( 0.000 3.845 0.000) 3.845 8.476 ( 0.000 -1.199 0.000) 1.199 8.760 ( 0.000 -2.290 0.000) 2.290 8.805 ( 0.000 0.751 0.000) 0.751 8.858 ( 0.000 -1.286 0.000) 1.286 9.167 ( 0.000 -3.389 0.000) 3.389 9.205 ( 0.000 1.149 0.000) 1.149 9.284 ( 0.000 0.933 0.000) 0.933 9.413 ( 0.000 -2.654 0.000) 2.654 9.590 ( 0.000 -4.487 0.000) 4.487 9.740 ( 0.000 -8.361 0.000) 8.361 9.909 ( 0.000 -7.953 0.000) 7.953 9.957 ( 0.000 -8.497 0.000) 8.497 9.999 ( 0.000 -5.398 0.000) 5.398 10.014 ( 0.000 -5.107 0.000) 5.107 10.087 ( 0.000 -7.414 0.000) 7.414 10.160 ( 0.000 2.431 0.000) 2.431 10.214 ( 0.000 2.210 0.000) 2.210 10.224 ( 0.000 6.143 0.000) 6.143 10.407 ( 0.000 -2.462 0.000) 2.462 10.427 ( 0.000 -3.086 0.000) 3.086 10.429 ( 0.000 -6.040 0.000) 6.040 10.538 ( 0.000 -2.504 0.000) 2.504 10.672 ( 0.000 -3.503 0.000) 3.503 10.910 ( 0.000 10.586 0.000) 10.586 10.911 ( 0.000 6.998 0.000) 6.998 10.957 ( 0.000 14.434 0.000) 14.434 10.988 ( 0.000 10.244 0.000) 10.244 11.235 ( 0.000 -0.823 0.000) 0.823 11.274 ( 0.000 3.266 0.000) 3.266 11.385 ( 0.000 -0.553 0.000) 0.553 11.400 ( 0.000 0.321 0.000) 0.321 11.443 ( 0.000 0.543 0.000) 0.543 11.452 ( 0.000 -0.300 0.000) 0.300 11.552 ( 0.000 0.488 0.000) 0.488 11.573 ( 0.000 0.915 0.000) 0.915 12.121 ( 0.000 1.450 0.000) 1.450 12.294 ( 0.000 0.285 0.000) 0.285 12.300 ( 0.000 2.143 0.000) 2.143 12.303 ( 0.000 1.943 0.000) 1.943 12.942 ( 0.000 0.752 0.000) 0.752 13.137 ( 0.000 0.551 0.000) 0.551 14.383 ( 0.000 -1.380 0.000) 1.380 14.482 ( 0.000 -2.204 0.000) 2.204 ======================= Grid point 4 (4/80) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 22.328 18.324 0.000) 28.885 0.735 ( 13.991 25.629 0.000) 29.200 1.107 ( -26.231 12.568 0.000) 29.087 1.150 ( -23.622 12.276 0.000) 26.621 1.469 ( 27.622 44.592 0.000) 52.454 1.917 ( -12.568 20.975 0.000) 24.452 2.315 ( 4.442 15.246 0.000) 15.880 2.368 ( 22.905 4.662 0.000) 23.375 2.656 ( -21.023 8.468 0.000) 22.664 2.804 ( -22.039 5.724 0.000) 22.770 3.228 ( 25.220 14.198 0.000) 28.942 3.314 ( 15.432 9.717 0.000) 18.237 3.555 ( -11.227 11.339 0.000) 15.957 3.632 ( -19.551 8.217 0.000) 21.208 3.795 ( 15.156 2.975 0.000) 15.445 3.860 ( 4.938 10.767 0.000) 11.846 3.920 ( -2.028 9.626 0.000) 9.838 3.999 ( -7.432 3.926 0.000) 8.405 4.269 ( 7.123 2.918 0.000) 7.698 4.368 ( -3.931 2.592 0.000) 4.709 4.709 ( 4.170 -0.295 0.000) 4.181 4.825 ( -9.225 0.397 0.000) 9.233 5.244 ( 8.403 -0.740 0.000) 8.436 5.357 ( -4.691 -1.065 0.000) 4.810 7.275 ( 4.926 0.864 0.000) 5.001 7.324 ( -1.396 1.950 0.000) 2.398 7.876 ( 0.048 0.785 0.000) 0.786 7.880 ( -0.398 1.998 0.000) 2.037 8.339 ( 3.776 2.837 0.000) 4.723 8.420 ( -5.198 0.552 0.000) 5.228 8.764 ( 0.567 -2.035 0.000) 2.113 8.780 ( -1.318 -1.215 0.000) 1.792 8.983 ( 10.132 -3.006 0.000) 10.569 9.127 ( -5.614 -4.415 0.000) 7.142 9.211 ( 0.701 1.332 0.000) 1.505 9.238 ( -2.936 1.830 0.000) 3.460 9.463 ( 4.406 -2.991 0.000) 5.325 9.538 ( -4.173 -4.433 0.000) 6.088 9.859 ( 6.975 -11.245 0.000) 13.232 9.907 ( -0.398 -8.125 0.000) 8.134 9.954 ( 0.399 -7.952 0.000) 7.962 9.982 ( -1.904 -6.675 0.000) 6.941 10.035 ( 2.000 -6.866 0.000) 7.151 10.069 ( -1.818 -7.928 0.000) 8.134 10.164 ( 0.421 2.500 0.000) 2.535 10.178 ( -1.484 3.226 0.000) 3.551 10.293 ( 5.031 2.743 0.000) 5.730 10.372 ( -3.769 -0.717 0.000) 3.836 10.424 ( -0.100 -3.414 0.000) 3.416 10.427 ( -0.328 -5.018 0.000) 5.028 10.572 ( 3.559 -2.885 0.000) 4.582 10.637 ( -3.570 -3.153 0.000) 4.764 10.903 ( -0.315 9.535 0.000) 9.540 10.906 ( -0.405 10.730 0.000) 10.738 10.965 ( 0.872 13.180 0.000) 13.209 10.981 ( -0.830 11.138 0.000) 11.169 11.241 ( 0.737 0.114 0.000) 0.746 11.259 ( -1.284 2.331 0.000) 2.661 11.387 ( 0.331 -0.230 0.000) 0.403 11.395 ( -0.487 0.171 0.000) 0.516 11.437 ( -0.606 1.143 0.000) 1.293 11.438 ( -0.433 0.833 0.000) 0.939 11.557 ( 0.593 0.548 0.000) 0.808 11.568 ( -0.542 0.768 0.000) 0.940 12.157 ( 3.906 1.134 0.000) 4.068 12.235 ( -4.711 0.741 0.000) 4.769 12.307 ( 0.416 1.953 0.000) 1.997 12.313 ( -0.048 1.840 0.000) 1.840 12.994 ( 5.396 0.712 0.000) 5.443 13.091 ( -5.033 0.615 0.000) 5.071 14.410 ( 2.782 -1.613 0.000) 3.216 14.459 ( -2.519 -2.040 0.000) 3.242 ======================= Grid point 6 (5/80) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 27.910 0.000) 27.910 1.338 ( 0.000 34.597 0.000) 34.597 1.703 ( 0.000 18.643 0.000) 18.643 1.844 ( 0.000 12.287 0.000) 12.287 1.852 ( 0.000 22.010 0.000) 22.010 2.264 ( 0.000 11.277 0.000) 11.277 2.289 ( 0.000 53.332 0.000) 53.332 2.997 ( 0.000 14.654 0.000) 14.654 3.202 ( 0.000 9.272 0.000) 9.272 3.255 ( 0.000 14.022 0.000) 14.022 3.319 ( 0.000 32.044 0.000) 32.044 3.410 ( 0.000 25.616 0.000) 25.616 3.698 ( 0.000 5.703 0.000) 5.703 4.020 ( 0.000 6.730 0.000) 6.730 4.023 ( 0.000 20.370 0.000) 20.370 4.032 ( 0.000 13.252 0.000) 13.252 4.081 ( 0.000 16.148 0.000) 16.148 4.254 ( 0.000 6.263 0.000) 6.263 4.356 ( 0.000 19.288 0.000) 19.288 4.504 ( 0.000 8.976 0.000) 8.976 4.662 ( 0.000 -0.250 0.000) 0.250 4.962 ( 0.000 0.489 0.000) 0.489 5.121 ( 0.000 -0.220 0.000) 0.220 5.366 ( 0.000 -1.986 0.000) 1.986 7.332 ( 0.000 8.615 0.000) 8.615 7.418 ( 0.000 5.831 0.000) 5.831 7.877 ( 0.000 -0.061 0.000) 0.061 7.937 ( 0.000 1.965 0.000) 1.965 8.419 ( 0.000 7.311 0.000) 7.311 8.471 ( 0.000 1.449 0.000) 1.449 8.707 ( 0.000 -2.765 0.000) 2.765 8.791 ( 0.000 -2.805 0.000) 2.805 8.829 ( 0.000 -1.598 0.000) 1.598 9.057 ( 0.000 -6.997 0.000) 6.997 9.222 ( 0.000 -0.213 0.000) 0.213 9.323 ( 0.000 2.409 0.000) 2.409 9.327 ( 0.000 -6.117 0.000) 6.117 9.506 ( 0.000 -3.008 0.000) 3.008 9.509 ( 0.000 -13.443 0.000) 13.443 9.733 ( 0.000 -9.011 0.000) 9.011 9.770 ( 0.000 -9.425 0.000) 9.425 9.840 ( 0.000 -12.711 0.000) 12.711 9.903 ( 0.000 -6.447 0.000) 6.447 9.919 ( 0.000 -4.113 0.000) 4.113 10.219 ( 0.000 3.270 0.000) 3.270 10.265 ( 0.000 2.325 0.000) 2.325 10.292 ( 0.000 -6.944 0.000) 6.944 10.356 ( 0.000 -0.494 0.000) 0.494 10.375 ( 0.000 4.937 0.000) 4.937 10.438 ( 0.000 4.181 0.000) 4.181 10.505 ( 0.000 -0.784 0.000) 0.784 10.591 ( 0.000 -3.786 0.000) 3.786 11.006 ( 0.000 2.108 0.000) 2.108 11.105 ( 0.000 7.731 0.000) 7.731 11.112 ( 0.000 -0.695 0.000) 0.695 11.188 ( 0.000 7.259 0.000) 7.259 11.347 ( 0.000 12.076 0.000) 12.076 11.385 ( 0.000 1.444 0.000) 1.444 11.396 ( 0.000 8.149 0.000) 8.149 11.417 ( 0.000 1.459 0.000) 1.459 11.448 ( 0.000 0.635 0.000) 0.635 11.448 ( 0.000 0.834 0.000) 0.834 11.577 ( 0.000 2.600 0.000) 2.600 11.606 ( 0.000 2.871 0.000) 2.871 12.159 ( 0.000 2.183 0.000) 2.183 12.302 ( 0.000 0.473 0.000) 0.473 12.350 ( 0.000 2.512 0.000) 2.512 12.352 ( 0.000 2.753 0.000) 2.753 12.965 ( 0.000 1.464 0.000) 1.464 13.150 ( 0.000 0.536 0.000) 0.536 14.338 ( 0.000 -3.284 0.000) 3.284 14.414 ( 0.000 -4.643 0.000) 4.643 ======================= Grid point 7 (6/80) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 14.139 24.770 0.000) 28.521 1.337 ( 1.832 31.904 0.000) 31.956 1.486 ( -18.469 21.735 0.000) 28.522 1.499 ( -15.473 25.711 0.000) 30.007 2.271 ( 23.443 15.310 0.000) 27.999 2.377 ( 12.770 38.734 0.000) 40.785 2.534 ( 15.650 15.148 0.000) 21.780 2.772 ( -18.976 21.344 0.000) 28.560 2.888 ( -13.389 16.377 0.000) 21.153 3.053 ( -21.102 24.993 0.000) 32.710 3.557 ( 17.014 13.201 0.000) 21.535 3.617 ( 14.896 23.081 0.000) 27.471 3.817 ( -5.679 10.516 0.000) 11.951 3.883 ( -12.113 14.999 0.000) 19.279 3.910 ( 7.568 11.558 0.000) 13.816 4.069 ( -5.498 8.102 0.000) 9.791 4.145 ( 5.056 16.813 0.000) 17.557 4.208 ( -3.227 14.176 0.000) 14.539 4.412 ( 4.514 13.049 0.000) 13.807 4.478 ( -2.917 9.574 0.000) 10.009 4.709 ( 5.461 0.632 0.000) 5.497 4.840 ( -9.347 1.138 0.000) 9.416 5.225 ( 7.603 -1.091 0.000) 7.681 5.329 ( -4.337 -1.780 0.000) 4.688 7.362 ( 2.876 7.222 0.000) 7.773 7.404 ( -1.718 6.034 0.000) 6.274 7.891 ( 1.535 0.440 0.000) 1.597 7.921 ( -1.698 1.453 0.000) 2.234 8.430 ( 1.172 6.175 0.000) 6.285 8.455 ( -1.602 3.324 0.000) 3.690 8.715 ( 1.023 -2.682 0.000) 2.870 8.743 ( -2.445 -2.379 0.000) 3.411 8.919 ( 6.744 -4.008 0.000) 7.845 9.019 ( -4.445 -6.369 0.000) 7.767 9.227 ( 0.833 -0.548 0.000) 0.997 9.259 ( -3.064 -0.865 0.000) 3.184 9.391 ( 3.272 -3.455 0.000) 4.758 9.439 ( -2.827 -5.477 0.000) 6.163 9.632 ( 8.347 -10.774 0.000) 13.629 9.734 ( -0.865 -8.658 0.000) 8.701 9.764 ( -0.609 -9.776 0.000) 9.795 9.783 ( -5.100 -13.064 0.000) 14.024 9.907 ( 0.447 -5.752 0.000) 5.769 9.915 ( -0.451 -4.668 0.000) 4.690 10.228 ( 1.005 3.499 0.000) 3.640 10.250 ( -1.411 3.221 0.000) 3.516 10.313 ( 1.991 -6.145 0.000) 6.459 10.344 ( -1.439 -3.924 0.000) 4.179 10.391 ( 1.704 5.726 0.000) 5.974 10.421 ( -1.636 4.316 0.000) 4.616 10.529 ( 2.401 -1.060 0.000) 2.625 10.571 ( -2.198 -2.729 0.000) 3.505 11.023 ( 1.871 2.321 0.000) 2.981 11.063 ( -2.678 3.029 0.000) 4.043 11.149 ( 2.080 4.450 0.000) 4.912 11.177 ( -1.229 6.322 0.000) 6.441 11.353 ( 0.769 10.366 0.000) 10.394 11.371 ( -1.119 6.391 0.000) 6.488 11.411 ( 1.011 5.313 0.000) 5.409 11.420 ( 0.030 3.173 0.000) 3.173 11.442 ( -0.441 -0.048 0.000) 0.444 11.443 ( -0.479 0.375 0.000) 0.608 11.584 ( 0.738 2.609 0.000) 2.712 11.598 ( -0.838 2.761 0.000) 2.885 12.187 ( 3.152 1.786 0.000) 3.623 12.254 ( -4.244 1.085 0.000) 4.380 12.354 ( 0.423 2.529 0.000) 2.564 12.359 ( 0.112 2.513 0.000) 2.516 13.014 ( 5.130 1.210 0.000) 5.271 13.106 ( -4.756 0.760 0.000) 4.816 14.358 ( 2.138 -3.652 0.000) 4.232 14.396 ( -1.954 -4.330 0.000) 4.751 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.000 29.576 0.000) 29.576 2.032 ( 0.000 34.398 0.000) 34.398 2.133 ( 0.000 24.119 0.000) 24.119 2.217 ( 0.000 23.630 0.000) 23.630 2.332 ( 0.000 26.020 0.000) 26.020 2.547 ( 0.000 16.894 0.000) 16.894 3.243 ( 0.000 11.627 0.000) 11.627 3.247 ( 0.000 36.459 0.000) 36.459 3.390 ( 0.000 9.917 0.000) 9.917 3.575 ( 0.000 23.457 0.000) 23.457 3.815 ( 0.000 6.800 0.000) 6.800 4.001 ( 0.000 30.835 0.000) 30.835 4.015 ( 0.000 34.761 0.000) 34.761 4.121 ( 0.000 3.038 0.000) 3.038 4.255 ( 0.000 9.119 0.000) 9.119 4.441 ( 0.000 18.541 0.000) 18.541 4.483 ( 0.000 22.983 0.000) 22.983 4.508 ( 0.000 18.795 0.000) 18.795 4.699 ( 0.000 6.308 0.000) 6.308 4.755 ( 0.000 17.920 0.000) 17.920 4.790 ( 0.000 19.152 0.000) 19.152 4.983 ( 0.000 3.390 0.000) 3.390 5.122 ( 0.000 0.454 0.000) 0.454 5.315 ( 0.000 -3.324 0.000) 3.324 7.532 ( 0.000 11.166 0.000) 11.166 7.555 ( 0.000 7.334 0.000) 7.334 7.869 ( 0.000 -0.816 0.000) 0.816 7.927 ( 0.000 -3.482 0.000) 3.482 8.555 ( 0.000 6.822 0.000) 6.822 8.573 ( 0.000 6.977 0.000) 6.977 8.644 ( 0.000 -4.174 0.000) 4.174 8.689 ( 0.000 -6.806 0.000) 6.806 8.782 ( 0.000 -3.968 0.000) 3.968 8.915 ( 0.000 -6.163 0.000) 6.163 9.090 ( 0.000 -14.345 0.000) 14.345 9.180 ( 0.000 -7.795 0.000) 7.795 9.335 ( 0.000 -3.518 0.000) 3.518 9.341 ( 0.000 -0.871 0.000) 0.871 9.486 ( 0.000 0.898 0.000) 0.898 9.557 ( 0.000 -8.436 0.000) 8.436 9.598 ( 0.000 -7.645 0.000) 7.645 9.601 ( 0.000 -7.841 0.000) 7.841 9.810 ( 0.000 -3.101 0.000) 3.101 9.849 ( 0.000 -2.925 0.000) 2.925 10.169 ( 0.000 -4.941 0.000) 4.941 10.283 ( 0.000 -0.752 0.000) 0.752 10.283 ( 0.000 2.740 0.000) 2.740 10.288 ( 0.000 -3.704 0.000) 3.704 10.514 ( 0.000 1.842 0.000) 1.842 10.529 ( 0.000 7.744 0.000) 7.744 10.542 ( 0.000 5.947 0.000) 5.947 10.554 ( 0.000 0.498 0.000) 0.498 11.017 ( 0.000 -0.456 0.000) 0.456 11.059 ( 0.000 -3.583 0.000) 3.583 11.192 ( 0.000 1.106 0.000) 1.106 11.224 ( 0.000 -2.238 0.000) 2.238 11.417 ( 0.000 -0.135 0.000) 0.135 11.441 ( 0.000 0.307 0.000) 0.307 11.452 ( 0.000 3.895 0.000) 3.895 11.453 ( 0.000 2.159 0.000) 2.159 11.592 ( 0.000 9.395 0.000) 9.395 11.647 ( 0.000 12.900 0.000) 12.900 11.667 ( 0.000 5.956 0.000) 5.956 11.700 ( 0.000 6.056 0.000) 6.056 12.201 ( 0.000 1.839 0.000) 1.839 12.314 ( 0.000 0.807 0.000) 0.807 12.400 ( 0.000 2.511 0.000) 2.511 12.404 ( 0.000 2.515 0.000) 2.515 12.993 ( 0.000 1.052 0.000) 1.052 13.149 ( 0.000 -0.937 0.000) 0.937 14.246 ( 0.000 -6.042 0.000) 6.042 14.294 ( 0.000 -7.524 0.000) 7.524 ======================= Grid point 10 (8/80) ======================= q-point: ( 0.33 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 9.509 28.041 0.000) 29.609 1.910 ( -12.974 26.408 0.000) 29.423 2.062 ( -2.685 33.818 0.000) 33.925 2.082 ( -5.664 31.495 0.000) 32.000 2.603 ( 21.142 18.615 0.000) 28.169 2.754 ( 18.418 15.379 0.000) 23.994 2.979 ( -21.750 16.192 0.000) 27.115 3.072 ( -16.911 13.139 0.000) 21.415 3.506 ( 11.806 40.662 0.000) 42.341 3.744 ( -14.740 35.903 0.000) 38.811 3.796 ( 17.091 11.225 0.000) 20.447 3.932 ( 7.599 8.715 0.000) 11.563 4.065 ( -10.566 13.074 0.000) 16.809 4.073 ( -5.547 4.667 0.000) 7.249 4.256 ( 8.149 23.679 0.000) 25.041 4.395 ( -7.195 22.696 0.000) 23.809 4.514 ( 4.503 19.300 0.000) 19.819 4.544 ( 0.828 20.136 0.000) 20.153 4.714 ( 1.739 7.176 0.000) 7.384 4.744 ( -1.327 14.665 0.000) 14.725 4.811 ( 2.772 16.602 0.000) 16.832 4.895 ( -6.757 7.793 0.000) 10.314 5.200 ( 5.945 -1.364 0.000) 6.099 5.284 ( -3.571 -2.850 0.000) 4.569 7.540 ( 0.843 10.144 0.000) 10.179 7.552 ( -0.429 8.239 0.000) 8.250 7.882 ( 1.425 -1.506 0.000) 2.074 7.911 ( -1.690 -2.842 0.000) 3.306 8.560 ( 0.546 6.851 0.000) 6.873 8.569 ( -0.440 6.923 0.000) 6.937 8.650 ( 0.715 -4.529 0.000) 4.585 8.669 ( -1.544 -5.545 0.000) 5.756 8.824 ( 3.914 -5.221 0.000) 6.525 8.887 ( -3.074 -6.021 0.000) 6.761 9.109 ( 2.107 -12.446 0.000) 12.623 9.153 ( -2.691 -9.090 0.000) 9.480 9.337 ( 0.194 -3.655 0.000) 3.660 9.340 ( -0.136 -2.225 0.000) 2.230 9.517 ( 3.206 -0.751 0.000) 3.293 9.568 ( 1.099 -8.121 0.000) 8.195 9.574 ( -2.949 -5.059 0.000) 5.856 9.588 ( -1.061 -7.777 0.000) 7.849 9.820 ( 1.071 -3.142 0.000) 3.319 9.840 ( -1.044 -3.007 0.000) 3.183 10.196 ( 2.787 -5.122 0.000) 5.831 10.247 ( -2.833 -4.354 0.000) 5.194 10.289 ( 0.586 2.309 0.000) 2.382 10.297 ( -0.121 0.412 0.000) 0.429 10.506 ( -0.347 3.429 0.000) 3.446 10.512 ( -1.045 5.121 0.000) 5.227 10.556 ( 0.973 4.364 0.000) 4.471 10.563 ( 0.234 2.932 0.000) 2.941 11.028 ( 1.180 -1.049 0.000) 1.579 11.049 ( -1.073 -2.593 0.000) 2.807 11.198 ( 0.690 0.107 0.000) 0.698 11.214 ( -0.996 -1.547 0.000) 1.840 11.422 ( 0.563 0.137 0.000) 0.579 11.434 ( -0.695 0.510 0.000) 0.862 11.453 ( 0.056 3.012 0.000) 3.012 11.453 ( 0.006 2.326 0.000) 2.326 11.606 ( 1.419 9.915 0.000) 10.016 11.632 ( -1.404 10.961 0.000) 11.050 11.679 ( 0.989 7.129 0.000) 7.197 11.694 ( -0.693 6.495 0.000) 6.532 12.223 ( 2.505 1.671 0.000) 3.011 12.278 ( -3.459 1.226 0.000) 3.670 12.404 ( 0.420 2.495 0.000) 2.530 12.408 ( 0.077 2.448 0.000) 2.450 13.034 ( 4.305 0.488 0.000) 4.333 13.111 ( -4.032 -0.488 0.000) 4.061 14.259 ( 1.323 -6.436 0.000) 6.571 14.283 ( -1.211 -7.175 0.000) 7.277 ======================= Grid point 12 (9/80) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 0.000 30.047 0.000) 30.047 2.646 ( 0.000 26.619 0.000) 26.619 2.669 ( 0.000 27.768 0.000) 27.768 2.734 ( 0.000 26.878 0.000) 26.878 2.876 ( 0.000 27.872 0.000) 27.872 2.941 ( 0.000 22.877 0.000) 22.877 3.479 ( 0.000 11.855 0.000) 11.855 3.616 ( 0.000 13.286 0.000) 13.286 3.630 ( 0.000 11.537 0.000) 11.537 3.941 ( 0.000 5.818 0.000) 5.818 4.133 ( 0.000 2.828 0.000) 2.828 4.320 ( 0.000 36.624 0.000) 36.624 4.394 ( 0.000 6.974 0.000) 6.974 4.496 ( 0.000 10.910 0.000) 10.910 4.703 ( 0.000 31.178 0.000) 31.178 4.721 ( 0.000 19.975 0.000) 19.975 4.862 ( 0.000 -0.417 0.000) 0.417 4.925 ( 0.000 20.187 0.000) 20.187 4.963 ( 0.000 21.324 0.000) 21.324 5.012 ( 0.000 20.373 0.000) 20.373 5.147 ( 0.000 3.004 0.000) 3.004 5.207 ( 0.000 21.016 0.000) 21.016 5.229 ( 0.000 -5.014 0.000) 5.014 5.256 ( 0.000 19.043 0.000) 19.043 7.681 ( 0.000 4.361 0.000) 4.361 7.766 ( 0.000 11.866 0.000) 11.866 7.804 ( 0.000 -8.197 0.000) 8.197 7.842 ( 0.000 -2.049 0.000) 2.049 8.512 ( 0.000 -9.057 0.000) 9.057 8.524 ( 0.000 -7.932 0.000) 7.932 8.606 ( 0.000 -14.629 0.000) 14.629 8.632 ( 0.000 -1.220 0.000) 1.220 8.747 ( 0.000 10.520 0.000) 10.520 8.825 ( 0.000 -9.505 0.000) 9.505 8.863 ( 0.000 -0.413 0.000) 0.413 9.047 ( 0.000 -5.327 0.000) 5.327 9.178 ( 0.000 -7.398 0.000) 7.398 9.375 ( 0.000 2.966 0.000) 2.966 9.415 ( 0.000 -5.084 0.000) 5.084 9.462 ( 0.000 -6.166 0.000) 6.166 9.529 ( 0.000 3.024 0.000) 3.024 9.568 ( 0.000 1.869 0.000) 1.869 9.785 ( 0.000 0.729 0.000) 0.729 9.804 ( 0.000 -1.505 0.000) 1.505 10.093 ( 0.000 -2.964 0.000) 2.964 10.215 ( 0.000 -3.558 0.000) 3.558 10.254 ( 0.000 -1.659 0.000) 1.659 10.320 ( 0.000 0.749 0.000) 0.749 10.574 ( 0.000 3.824 0.000) 3.824 10.594 ( 0.000 2.772 0.000) 2.772 10.668 ( 0.000 6.552 0.000) 6.552 10.675 ( 0.000 6.925 0.000) 6.925 10.983 ( 0.000 -3.883 0.000) 3.883 11.000 ( 0.000 -1.215 0.000) 1.215 11.151 ( 0.000 -4.382 0.000) 4.382 11.171 ( 0.000 -2.606 0.000) 2.606 11.424 ( 0.000 0.861 0.000) 0.861 11.454 ( 0.000 1.024 0.000) 1.024 11.509 ( 0.000 3.425 0.000) 3.425 11.525 ( 0.000 3.571 0.000) 3.571 11.765 ( 0.000 7.741 0.000) 7.741 11.785 ( 0.000 5.425 0.000) 5.425 11.810 ( 0.000 4.408 0.000) 4.408 11.871 ( 0.000 9.273 0.000) 9.273 12.228 ( 0.000 0.725 0.000) 0.725 12.333 ( 0.000 0.878 0.000) 0.878 12.455 ( 0.000 2.580 0.000) 2.580 12.456 ( 0.000 3.327 0.000) 3.327 12.998 ( 0.000 -0.554 0.000) 0.554 13.105 ( 0.000 -3.464 0.000) 3.464 14.092 ( 0.000 -9.507 0.000) 9.507 14.112 ( 0.000 -10.731 0.000) 10.731 ======================= Grid point 13 (10/80) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 7.044 29.101 0.000) 29.941 2.446 ( -12.143 27.092 0.000) 29.689 2.715 ( -0.114 30.860 0.000) 30.860 2.731 ( -0.648 31.826 0.000) 31.833 3.014 ( 13.589 22.270 0.000) 26.089 3.090 ( 14.692 18.058 0.000) 23.280 3.292 ( -18.628 16.489 0.000) 24.877 3.344 ( -13.545 14.021 0.000) 19.495 3.943 ( 16.680 9.245 0.000) 19.071 4.006 ( 5.330 4.480 0.000) 6.963 4.112 ( -1.899 2.284 0.000) 2.971 4.238 ( -13.197 6.497 0.000) 14.709 4.373 ( 5.995 36.403 0.000) 36.894 4.492 ( -6.205 30.150 0.000) 30.782 4.677 ( 5.022 10.150 0.000) 11.324 4.787 ( -6.528 5.379 0.000) 8.459 4.833 ( 6.228 22.179 0.000) 23.036 4.914 ( -3.140 17.986 0.000) 18.258 4.981 ( 1.930 20.922 0.000) 21.011 5.005 ( -0.880 20.385 0.000) 20.404 5.168 ( 2.077 1.554 0.000) 2.594 5.201 ( -1.311 6.616 0.000) 6.744 5.230 ( 0.655 10.385 0.000) 10.405 5.247 ( -1.004 18.251 0.000) 18.278 7.697 ( 1.837 4.556 0.000) 4.912 7.736 ( -2.498 6.131 0.000) 6.620 7.823 ( 1.252 -2.845 0.000) 3.108 7.838 ( -0.501 -1.947 0.000) 2.011 8.509 ( -0.241 -9.208 0.000) 9.212 8.511 ( -0.674 -9.179 0.000) 9.203 8.645 ( 1.451 -0.599 0.000) 1.570 8.654 ( 2.940 -7.864 0.000) 8.396 8.716 ( 0.021 -0.703 0.000) 0.703 8.798 ( -6.387 -5.509 0.000) 8.435 8.892 ( 5.650 -2.888 0.000) 6.345 8.986 ( -5.218 -2.933 0.000) 5.986 9.254 ( 5.992 -3.467 0.000) 6.922 9.340 ( -3.864 1.370 0.000) 4.100 9.421 ( 0.914 -5.853 0.000) 5.924 9.446 ( -1.647 -6.457 0.000) 6.664 9.548 ( 1.684 2.866 0.000) 3.324 9.568 ( -0.403 2.238 0.000) 2.274 9.787 ( 0.342 0.049 0.000) 0.346 9.797 ( -0.690 -1.081 0.000) 1.282 10.114 ( 2.344 -3.217 0.000) 3.981 10.166 ( -3.534 -3.513 0.000) 4.983 10.292 ( 2.277 -0.889 0.000) 2.444 10.316 ( -0.659 0.331 0.000) 0.738 10.576 ( 0.358 3.810 0.000) 3.827 10.586 ( -0.754 3.330 0.000) 3.414 10.670 ( 0.215 6.361 0.000) 6.365 10.674 ( -0.186 6.504 0.000) 6.506 10.988 ( 0.532 -3.338 0.000) 3.380 10.996 ( -0.393 -1.996 0.000) 2.035 11.154 ( 0.463 -3.771 0.000) 3.799 11.165 ( -0.649 -2.883 0.000) 2.955 11.431 ( 0.821 0.921 0.000) 1.234 11.447 ( -0.841 1.000 0.000) 1.306 11.512 ( 0.326 3.446 0.000) 3.461 11.520 ( -0.509 3.518 0.000) 3.555 11.773 ( 0.667 6.725 0.000) 6.758 11.782 ( -0.356 5.613 0.000) 5.624 11.823 ( 1.602 5.921 0.000) 6.134 11.855 ( -1.727 8.288 0.000) 8.466 12.250 ( 2.518 0.964 0.000) 2.697 12.302 ( -3.070 1.049 0.000) 3.245 12.459 ( 0.235 3.153 0.000) 3.162 12.460 ( 0.266 2.764 0.000) 2.777 13.026 ( 2.899 -1.362 0.000) 3.203 13.079 ( -2.813 -2.803 0.000) 3.971 14.097 ( 0.555 -9.829 0.000) 9.845 14.107 ( -0.499 -10.440 0.000) 10.452 ======================= Grid point 15 (11/80) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 0.000 28.345 0.000) 28.345 3.120 ( 0.000 18.736 0.000) 18.736 3.170 ( 0.000 25.169 0.000) 25.169 3.249 ( 0.000 23.809 0.000) 23.809 3.412 ( 0.000 21.364 0.000) 21.364 3.415 ( 0.000 25.222 0.000) 25.222 3.700 ( 0.000 9.652 0.000) 9.652 3.827 ( 0.000 7.803 0.000) 7.803 3.941 ( 0.000 19.639 0.000) 19.639 4.045 ( 0.000 4.705 0.000) 4.705 4.126 ( 0.000 -1.280 0.000) 1.280 4.517 ( 0.000 5.287 0.000) 5.287 4.558 ( 0.000 -0.183 0.000) 0.183 4.776 ( 0.000 -6.741 0.000) 6.741 4.969 ( 0.000 20.050 0.000) 20.050 5.012 ( 0.000 -5.365 0.000) 5.365 5.134 ( 0.000 9.118 0.000) 9.118 5.246 ( 0.000 22.507 0.000) 22.507 5.258 ( 0.000 18.487 0.000) 18.487 5.371 ( 0.000 17.585 0.000) 17.585 5.394 ( 0.000 17.661 0.000) 17.661 5.405 ( 0.000 16.925 0.000) 16.925 5.583 ( 0.000 15.768 0.000) 15.768 5.597 ( 0.000 14.164 0.000) 14.164 7.635 ( 0.000 -7.810 0.000) 7.810 7.709 ( 0.000 -1.339 0.000) 1.339 7.784 ( 0.000 -3.725 0.000) 3.725 7.945 ( 0.000 1.697 0.000) 1.697 8.325 ( 0.000 -8.159 0.000) 8.159 8.335 ( 0.000 -6.320 0.000) 6.320 8.383 ( 0.000 -5.650 0.000) 5.650 8.585 ( 0.000 -4.329 0.000) 4.329 8.667 ( 0.000 -7.249 0.000) 7.249 8.777 ( 0.000 -5.287 0.000) 5.287 8.946 ( 0.000 -5.198 0.000) 5.198 8.958 ( 0.000 9.618 0.000) 9.618 9.185 ( 0.000 6.427 0.000) 6.427 9.336 ( 0.000 -6.481 0.000) 6.481 9.374 ( 0.000 0.728 0.000) 0.728 9.433 ( 0.000 2.273 0.000) 2.273 9.605 ( 0.000 4.589 0.000) 4.589 9.616 ( 0.000 2.541 0.000) 2.541 9.795 ( 0.000 0.704 0.000) 0.704 9.837 ( 0.000 4.196 0.000) 4.196 10.035 ( 0.000 -3.392 0.000) 3.392 10.147 ( 0.000 -3.151 0.000) 3.151 10.218 ( 0.000 -2.310 0.000) 2.310 10.305 ( 0.000 -2.446 0.000) 2.446 10.648 ( 0.000 2.521 0.000) 2.521 10.653 ( 0.000 3.850 0.000) 3.850 10.801 ( 0.000 6.638 0.000) 6.638 10.806 ( 0.000 6.093 0.000) 6.093 10.910 ( 0.000 -3.328 0.000) 3.328 10.967 ( 0.000 -2.082 0.000) 2.082 11.073 ( 0.000 -2.925 0.000) 2.925 11.112 ( 0.000 -2.802 0.000) 2.802 11.449 ( 0.000 1.601 0.000) 1.601 11.479 ( 0.000 1.285 0.000) 1.285 11.574 ( 0.000 2.322 0.000) 2.322 11.584 ( 0.000 1.705 0.000) 1.705 11.890 ( 0.000 4.451 0.000) 4.451 11.890 ( 0.000 5.748 0.000) 5.748 11.900 ( 0.000 5.815 0.000) 5.815 12.013 ( 0.000 5.054 0.000) 5.054 12.231 ( 0.000 -0.246 0.000) 0.246 12.339 ( 0.000 -0.391 0.000) 0.391 12.501 ( 0.000 1.528 0.000) 1.528 12.530 ( 0.000 3.410 0.000) 3.410 12.986 ( 0.000 0.223 0.000) 0.223 13.026 ( 0.000 -3.385 0.000) 3.385 13.867 ( 0.000 -12.958 0.000) 12.958 13.867 ( 0.000 -13.613 0.000) 13.613 ======================= Grid point 16 (12/80) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 5.010 27.428 0.000) 27.882 2.970 ( -9.077 24.773 0.000) 26.384 3.266 ( 1.645 23.281 0.000) 23.339 3.275 ( 2.401 21.802 0.000) 21.934 3.462 ( 7.342 18.262 0.000) 19.683 3.478 ( 7.130 23.373 0.000) 24.436 3.617 ( -8.584 12.669 0.000) 15.303 3.645 ( -12.015 18.130 0.000) 21.750 4.075 ( 2.646 2.508 0.000) 3.646 4.112 ( -1.327 0.551 0.000) 1.437 4.138 ( 13.617 9.179 0.000) 16.422 4.358 ( -11.913 5.792 0.000) 13.246 4.667 ( 6.069 -1.077 0.000) 6.164 4.747 ( -3.339 -4.640 0.000) 5.717 4.990 ( 1.870 13.565 0.000) 13.694 5.011 ( -0.414 -0.058 0.000) 0.418 5.141 ( 1.141 12.073 0.000) 12.126 5.182 ( -3.676 19.200 0.000) 19.548 5.313 ( 3.011 19.161 0.000) 19.396 5.354 ( -1.827 18.140 0.000) 18.232 5.400 ( 0.382 17.333 0.000) 17.337 5.404 ( -0.158 17.037 0.000) 17.038 5.587 ( 0.426 15.368 0.000) 15.374 5.594 ( -0.365 14.567 0.000) 14.571 7.645 ( 1.251 -6.865 0.000) 6.978 7.677 ( -2.374 -4.314 0.000) 4.924 7.834 ( 4.362 -1.155 0.000) 4.512 7.907 ( -3.854 0.772 0.000) 3.931 8.326 ( 0.190 -7.318 0.000) 7.321 8.331 ( -0.324 -5.904 0.000) 5.913 8.460 ( 8.270 -6.695 0.000) 10.640 8.595 ( 0.336 -7.280 0.000) 7.287 8.639 ( -9.927 -3.107 0.000) 10.402 8.639 ( -2.502 -5.435 0.000) 5.983 8.997 ( 3.457 7.353 0.000) 8.125 9.021 ( 2.469 0.062 0.000) 2.470 9.213 ( 4.123 1.646 0.000) 4.439 9.299 ( -4.326 -5.493 0.000) 6.992 9.374 ( 0.603 1.027 0.000) 1.191 9.404 ( -2.624 2.378 0.000) 3.541 9.614 ( 0.758 3.639 0.000) 3.717 9.620 ( 0.166 2.675 0.000) 2.680 9.801 ( 0.785 1.433 0.000) 1.633 9.821 ( -1.404 3.080 0.000) 3.385 10.058 ( 2.389 -2.750 0.000) 3.642 10.106 ( -3.193 -2.571 0.000) 4.099 10.259 ( 2.975 -2.714 0.000) 4.026 10.295 ( -1.297 -2.616 0.000) 2.920 10.648 ( 0.090 2.851 0.000) 2.853 10.651 ( -0.189 3.518 0.000) 3.523 10.800 ( 0.002 6.509 0.000) 6.509 10.803 ( -0.293 6.225 0.000) 6.232 10.922 ( 1.420 -3.072 0.000) 3.385 10.951 ( -1.645 -2.478 0.000) 2.974 11.085 ( 1.188 -2.764 0.000) 3.008 11.104 ( -0.897 -2.745 0.000) 2.888 11.457 ( 0.800 1.536 0.000) 1.732 11.472 ( -0.772 1.378 0.000) 1.579 11.575 ( 0.175 2.192 0.000) 2.199 11.580 ( -0.342 1.886 0.000) 1.917 11.884 ( -0.053 5.307 0.000) 5.307 11.887 ( -0.277 5.639 0.000) 5.646 11.932 ( 2.923 4.944 0.000) 5.743 11.985 ( -2.912 4.827 0.000) 5.638 12.259 ( 2.893 -0.060 0.000) 2.894 12.312 ( -2.860 -0.173 0.000) 2.865 12.513 ( 1.013 1.943 0.000) 2.192 12.527 ( -0.498 2.907 0.000) 2.950 12.995 ( 1.033 -0.697 0.000) 1.246 13.015 ( -1.117 -2.504 0.000) 2.742 13.867 ( 0.024 -13.129 0.000) 13.129 13.867 ( -0.000 -13.456 0.000) 13.456 ======================= Grid point 18 (13/80) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 0.000 23.280 0.000) 23.280 3.452 ( 0.000 14.780 0.000) 14.780 3.611 ( 0.000 17.528 0.000) 17.528 3.646 ( 0.000 14.688 0.000) 14.688 3.729 ( 0.000 10.247 0.000) 10.247 3.824 ( 0.000 13.170 0.000) 13.170 3.833 ( 0.000 2.937 0.000) 2.937 3.878 ( 0.000 -3.921 0.000) 3.921 4.154 ( 0.000 8.033 0.000) 8.033 4.156 ( 0.000 6.048 0.000) 6.048 4.373 ( 0.000 21.852 0.000) 21.852 4.524 ( 0.000 -3.420 0.000) 3.420 4.596 ( 0.000 2.558 0.000) 2.558 4.599 ( 0.000 -10.891 0.000) 10.891 4.810 ( 0.000 -11.523 0.000) 11.523 4.990 ( 0.000 -6.951 0.000) 6.951 5.502 ( 0.000 16.190 0.000) 16.190 5.588 ( 0.000 11.619 0.000) 11.619 5.596 ( 0.000 11.997 0.000) 11.997 5.637 ( 0.000 8.515 0.000) 8.515 5.686 ( 0.000 11.249 0.000) 11.249 5.691 ( 0.000 11.284 0.000) 11.284 5.801 ( 0.000 6.004 0.000) 6.004 5.811 ( 0.000 6.662 0.000) 6.662 7.530 ( 0.000 -1.911 0.000) 1.911 7.661 ( 0.000 -2.356 0.000) 2.356 7.700 ( 0.000 -4.137 0.000) 4.137 7.777 ( 0.000 -12.432 0.000) 12.432 8.229 ( 0.000 -1.053 0.000) 1.053 8.315 ( 0.000 -0.886 0.000) 0.886 8.398 ( 0.000 2.670 0.000) 2.670 8.429 ( 0.000 -9.176 0.000) 9.176 8.582 ( 0.000 3.586 0.000) 3.586 8.754 ( 0.000 1.314 0.000) 1.314 8.849 ( 0.000 -4.097 0.000) 4.097 9.026 ( 0.000 -6.246 0.000) 6.246 9.277 ( 0.000 3.587 0.000) 3.587 9.345 ( 0.000 8.146 0.000) 8.146 9.416 ( 0.000 2.625 0.000) 2.625 9.447 ( 0.000 -1.213 0.000) 1.213 9.669 ( 0.000 3.284 0.000) 3.284 9.713 ( 0.000 6.033 0.000) 6.033 9.824 ( 0.000 1.622 0.000) 1.622 9.939 ( 0.000 -6.529 0.000) 6.529 9.944 ( 0.000 6.371 0.000) 6.371 10.091 ( 0.000 -2.314 0.000) 2.314 10.148 ( 0.000 -4.601 0.000) 4.601 10.219 ( 0.000 -6.033 0.000) 6.033 10.705 ( 0.000 3.539 0.000) 3.539 10.723 ( 0.000 3.207 0.000) 3.207 10.845 ( 0.000 -2.916 0.000) 2.916 10.872 ( 0.000 -2.063 0.000) 2.063 10.931 ( 0.000 5.860 0.000) 5.860 10.955 ( 0.000 3.100 0.000) 3.100 11.040 ( 0.000 -0.726 0.000) 0.726 11.070 ( 0.000 -1.613 0.000) 1.613 11.485 ( 0.000 1.964 0.000) 1.964 11.504 ( 0.000 1.306 0.000) 1.306 11.580 ( 0.000 -1.622 0.000) 1.622 11.580 ( 0.000 -1.741 0.000) 1.741 11.998 ( 0.000 5.604 0.000) 5.604 11.999 ( 0.000 4.139 0.000) 4.139 12.025 ( 0.000 6.749 0.000) 6.749 12.079 ( 0.000 1.848 0.000) 1.848 12.237 ( 0.000 1.986 0.000) 1.986 12.324 ( 0.000 -0.409 0.000) 0.409 12.480 ( 0.000 -4.152 0.000) 4.152 12.525 ( 0.000 -5.238 0.000) 5.238 13.048 ( 0.000 7.152 0.000) 7.152 13.058 ( 0.000 7.824 0.000) 7.824 13.577 ( 0.000 -15.093 0.000) 15.093 13.583 ( 0.000 -15.190 0.000) 15.190 ======================= Grid point 19 (14/80) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 2.644 22.238 0.000) 22.395 3.410 ( -3.802 18.773 0.000) 19.154 3.625 ( 0.734 13.707 0.000) 13.726 3.635 ( -0.794 13.643 0.000) 13.666 3.751 ( 2.810 9.148 0.000) 9.569 3.805 ( -2.762 5.260 0.000) 5.941 3.855 ( 2.435 9.921 0.000) 10.216 3.881 ( -0.274 1.415 0.000) 1.441 4.148 ( -0.556 7.167 0.000) 7.188 4.148 ( -0.495 7.625 0.000) 7.641 4.405 ( 3.604 16.537 0.000) 16.925 4.482 ( -4.690 6.645 0.000) 8.133 4.584 ( -0.006 -6.741 0.000) 6.741 4.592 ( -0.652 -10.312 0.000) 10.333 4.872 ( 5.528 -9.132 0.000) 10.675 4.956 ( -3.848 -7.490 0.000) 8.421 5.519 ( 1.835 15.516 0.000) 15.624 5.556 ( -2.324 13.790 0.000) 13.984 5.617 ( 1.148 10.142 0.000) 10.207 5.632 ( -0.575 8.959 0.000) 8.978 5.687 ( 0.111 11.235 0.000) 11.235 5.689 ( -0.128 11.254 0.000) 11.255 5.804 ( 0.272 6.151 0.000) 6.157 5.809 ( -0.226 6.481 0.000) 6.484 7.551 ( 2.415 -1.769 0.000) 2.993 7.606 ( -3.912 -1.749 0.000) 4.285 7.742 ( 2.443 -6.769 0.000) 7.196 7.770 ( -0.947 -10.652 0.000) 10.694 8.254 ( 2.701 -0.263 0.000) 2.714 8.301 ( -2.085 0.023 0.000) 2.085 8.399 ( 0.644 -2.342 0.000) 2.429 8.418 ( -1.166 -7.947 0.000) 8.032 8.604 ( 2.692 5.059 0.000) 5.730 8.675 ( -5.558 4.405 0.000) 7.093 8.930 ( 5.819 -6.845 0.000) 8.984 9.006 ( -2.765 -7.635 0.000) 8.120 9.292 ( 1.931 5.442 0.000) 5.775 9.332 ( -1.957 7.298 0.000) 7.556 9.418 ( 0.775 2.315 0.000) 2.442 9.438 ( -1.065 0.205 0.000) 1.084 9.679 ( 1.084 3.772 0.000) 3.924 9.700 ( -1.247 5.209 0.000) 5.356 9.837 ( 1.534 1.269 0.000) 1.990 9.877 ( -3.185 0.431 0.000) 3.214 10.010 ( 3.672 -0.497 0.000) 3.705 10.063 ( -2.573 -1.480 0.000) 2.968 10.176 ( 2.270 -5.356 0.000) 5.817 10.208 ( -1.326 -5.945 0.000) 6.091 10.708 ( 0.383 3.442 0.000) 3.463 10.717 ( -0.570 3.270 0.000) 3.319 10.853 ( 0.844 -2.908 0.000) 3.028 10.867 ( -0.583 -2.419 0.000) 2.488 10.934 ( 0.348 5.509 0.000) 5.520 10.945 ( -0.895 4.083 0.000) 4.180 11.049 ( 0.923 -1.050 0.000) 1.398 11.064 ( -0.666 -1.471 0.000) 1.614 11.490 ( 0.539 1.796 0.000) 1.875 11.499 ( -0.492 1.467 0.000) 1.547 11.580 ( -0.044 -1.677 0.000) 1.678 11.580 ( -0.031 -1.620 0.000) 1.621 12.004 ( 0.677 5.980 0.000) 6.019 12.017 ( 1.946 3.578 0.000) 4.073 12.017 ( -0.746 6.514 0.000) 6.557 12.056 ( -2.306 2.537 0.000) 3.429 12.261 ( 2.425 1.272 0.000) 2.739 12.303 ( -2.187 0.158 0.000) 2.193 12.493 ( 1.348 -4.535 0.000) 4.731 12.516 ( -1.101 -5.059 0.000) 5.177 13.051 ( 0.266 7.341 0.000) 7.346 13.056 ( -0.269 7.676 0.000) 7.681 13.579 ( 0.145 -15.121 0.000) 15.122 13.581 ( -0.135 -15.169 0.000) 15.170 ======================= Grid point 21 (15/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 0.000 -11.254 0.000) 11.254 3.691 ( 0.000 11.254 0.000) 11.254 3.711 ( 0.000 -10.781 0.000) 10.781 3.711 ( 0.000 10.781 0.000) 10.781 3.817 ( 0.000 -1.865 0.000) 1.865 3.817 ( 0.000 1.865 0.000) 1.865 3.896 ( 0.000 -3.608 0.000) 3.608 3.896 ( 0.000 3.608 0.000) 3.608 4.352 ( 0.000 -12.462 0.000) 12.462 4.352 ( 0.000 12.462 0.000) 12.462 4.382 ( 0.000 -11.560 0.000) 11.560 4.382 ( 0.000 11.560 0.000) 11.560 4.643 ( 0.000 -3.861 0.000) 3.861 4.643 ( 0.000 3.861 0.000) 3.861 4.762 ( 0.000 -15.842 0.000) 15.842 4.762 ( 0.000 15.842 0.000) 15.842 5.694 ( 0.000 -3.117 0.000) 3.117 5.694 ( 0.000 3.117 0.000) 3.117 5.708 ( 0.000 -0.400 0.000) 0.400 5.708 ( 0.000 0.400 0.000) 0.400 5.833 ( 0.000 -2.840 0.000) 2.840 5.833 ( 0.000 2.840 0.000) 2.840 5.842 ( 0.000 -3.511 0.000) 3.511 5.842 ( 0.000 3.511 0.000) 3.511 7.577 ( 0.000 -6.623 0.000) 6.623 7.577 ( 0.000 6.623 0.000) 6.623 7.645 ( 0.000 -1.029 0.000) 1.029 7.645 ( 0.000 1.029 0.000) 1.029 8.277 ( 0.000 -5.435 0.000) 5.435 8.277 ( 0.000 5.435 0.000) 5.435 8.346 ( 0.000 -3.560 0.000) 3.560 8.346 ( 0.000 3.560 0.000) 3.560 8.788 ( 0.000 -2.144 0.000) 2.144 8.788 ( 0.000 2.144 0.000) 2.144 8.803 ( 0.000 -13.434 0.000) 13.434 8.803 ( 0.000 13.434 0.000) 13.434 9.384 ( 0.000 -4.898 0.000) 4.898 9.384 ( 0.000 4.898 0.000) 4.898 9.443 ( 0.000 -0.946 0.000) 0.946 9.443 ( 0.000 0.946 0.000) 0.946 9.783 ( 0.000 -8.062 0.000) 8.062 9.783 ( 0.000 8.062 0.000) 8.062 9.818 ( 0.000 -3.247 0.000) 3.247 9.818 ( 0.000 3.247 0.000) 3.247 10.074 ( 0.000 -1.427 0.000) 1.427 10.074 ( 0.000 1.427 0.000) 1.427 10.082 ( 0.000 -7.210 0.000) 7.210 10.082 ( 0.000 7.210 0.000) 7.210 10.785 ( 0.000 -3.060 0.000) 3.060 10.785 ( 0.000 3.060 0.000) 3.060 10.791 ( 0.000 -4.739 0.000) 4.739 10.791 ( 0.000 4.739 0.000) 4.739 11.018 ( 0.000 -2.056 0.000) 2.056 11.018 ( 0.000 2.056 0.000) 2.056 11.026 ( 0.000 -3.319 0.000) 3.319 11.026 ( 0.000 3.319 0.000) 3.319 11.531 ( 0.000 -2.690 0.000) 2.690 11.531 ( 0.000 2.690 0.000) 2.690 11.537 ( 0.000 -2.109 0.000) 2.109 11.537 ( 0.000 2.109 0.000) 2.109 12.055 ( 0.000 -0.681 0.000) 0.681 12.055 ( 0.000 0.681 0.000) 0.681 12.095 ( 0.000 -0.477 0.000) 0.477 12.095 ( 0.000 0.477 0.000) 0.477 12.360 ( 0.000 -9.358 0.000) 9.358 12.360 ( 0.000 9.358 0.000) 9.358 12.369 ( 0.000 -5.235 0.000) 5.235 12.369 ( 0.000 5.235 0.000) 5.235 13.280 ( 0.000 -14.452 0.000) 14.452 13.280 ( 0.000 14.452 0.000) 14.452 13.283 ( 0.000 -13.778 0.000) 13.778 13.283 ( 0.000 13.778 0.000) 13.778 ======================= Grid point 23 (16/80) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 0.441 -10.358 0.000) 10.367 3.694 ( 0.441 10.358 0.000) 10.367 3.704 ( -0.631 -9.734 0.000) 9.754 3.704 ( -0.631 9.734 0.000) 9.754 3.837 ( 2.110 -3.721 0.000) 4.278 3.837 ( 2.110 3.721 0.000) 4.278 3.876 ( -2.091 -4.500 0.000) 4.962 3.876 ( -2.091 4.500 0.000) 4.962 4.359 ( 0.693 -12.223 0.000) 12.243 4.359 ( 0.693 12.223 0.000) 12.243 4.373 ( -0.863 -11.781 0.000) 11.812 4.373 ( -0.863 11.781 0.000) 11.812 4.675 ( 3.305 -10.203 0.000) 10.725 4.675 ( 3.305 10.203 0.000) 10.725 4.734 ( -3.027 -14.649 0.000) 14.959 4.734 ( -3.027 14.649 0.000) 14.959 5.699 ( 0.419 -2.567 0.000) 2.601 5.699 ( 0.419 2.567 0.000) 2.601 5.705 ( -0.315 -1.359 0.000) 1.394 5.705 ( -0.315 1.359 0.000) 1.394 5.835 ( 0.211 -3.038 0.000) 3.045 5.835 ( 0.211 3.038 0.000) 3.045 5.839 ( -0.259 -3.377 0.000) 3.387 5.839 ( -0.259 3.377 0.000) 3.387 7.592 ( 1.744 -5.954 0.000) 6.204 7.592 ( 1.744 5.954 0.000) 6.204 7.626 ( -1.903 -3.807 0.000) 4.256 7.626 ( -1.903 3.807 0.000) 4.256 8.296 ( 1.979 -4.214 0.000) 4.656 8.296 ( 1.979 4.214 0.000) 4.656 8.330 ( -1.727 -3.066 0.000) 3.519 8.330 ( -1.727 3.066 0.000) 3.519 8.790 ( 0.275 -6.723 0.000) 6.729 8.790 ( 0.275 6.723 0.000) 6.729 8.798 ( -0.521 -11.613 0.000) 11.625 8.798 ( -0.521 11.613 0.000) 11.625 9.400 ( 1.674 -3.993 0.000) 4.330 9.400 ( 1.674 3.993 0.000) 4.330 9.430 ( -1.506 -1.904 0.000) 2.428 9.430 ( -1.506 1.904 0.000) 2.428 9.791 ( 0.885 -6.848 0.000) 6.905 9.791 ( 0.885 6.848 0.000) 6.905 9.808 ( -1.021 -4.460 0.000) 4.576 9.808 ( -1.021 4.460 0.000) 4.576 10.077 ( 0.313 -3.419 0.000) 3.434 10.077 ( 0.313 3.419 0.000) 3.434 10.081 ( -0.127 -6.008 0.000) 6.009 10.081 ( -0.127 6.008 0.000) 6.009 10.786 ( 0.125 -3.590 0.000) 3.592 10.786 ( 0.125 3.590 0.000) 3.592 10.789 ( -0.171 -4.407 0.000) 4.410 10.789 ( -0.171 4.407 0.000) 4.410 11.020 ( 0.197 -2.515 0.000) 2.522 11.020 ( 0.197 2.515 0.000) 2.522 11.024 ( -0.229 -3.115 0.000) 3.124 11.024 ( -0.229 3.115 0.000) 3.124 11.533 ( 0.159 -2.522 0.000) 2.527 11.533 ( 0.159 2.522 0.000) 2.527 11.536 ( -0.155 -2.230 0.000) 2.236 11.536 ( -0.155 2.230 0.000) 2.236 12.065 ( 1.069 -0.548 0.000) 1.201 12.065 ( 1.069 0.548 0.000) 1.201 12.085 ( -1.073 -0.416 0.000) 1.151 12.085 ( -1.073 0.416 0.000) 1.151 12.362 ( 0.259 -8.358 0.000) 8.362 12.362 ( 0.259 8.358 0.000) 8.362 12.367 ( -0.242 -6.327 0.000) 6.332 12.367 ( -0.242 6.327 0.000) 6.332 13.281 ( 0.093 -14.284 0.000) 14.284 13.281 ( 0.093 14.284 0.000) 14.284 13.282 ( -0.088 -13.947 0.000) 13.947 13.282 ( -0.088 13.947 0.000) 13.947 ======================= Grid point 45 (17/80) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 0.000 0.000 25.231) 25.231 0.662 ( 0.000 0.000 32.968) 32.968 1.086 ( 0.000 0.000 51.987) 51.987 1.397 ( 0.000 0.000 11.915) 11.915 1.647 ( 0.000 0.000 26.508) 26.508 1.779 ( 0.000 0.000 -11.473) 11.473 1.961 ( 0.000 0.000 2.950) 2.950 2.595 ( 0.000 0.000 22.498) 22.498 2.705 ( 0.000 0.000 9.477) 9.477 2.892 ( 0.000 0.000 -0.076) 0.076 2.971 ( 0.000 0.000 2.739) 2.739 3.075 ( 0.000 0.000 5.474) 5.474 3.470 ( 0.000 0.000 -8.010) 8.010 3.516 ( 0.000 0.000 -4.385) 4.385 3.663 ( 0.000 0.000 -1.434) 1.434 3.778 ( 0.000 0.000 -5.193) 5.193 3.872 ( 0.000 0.000 -1.294) 1.294 3.899 ( 0.000 0.000 -1.049) 1.049 4.190 ( 0.000 0.000 1.200) 1.200 4.365 ( 0.000 0.000 -0.992) 0.992 4.647 ( 0.000 0.000 -3.615) 3.615 4.960 ( 0.000 0.000 1.105) 1.105 5.123 ( 0.000 0.000 -0.876) 0.876 5.406 ( 0.000 0.000 -0.381) 0.381 7.161 ( 0.000 0.000 1.224) 1.224 7.343 ( 0.000 0.000 0.604) 0.604 7.815 ( 0.000 0.000 -4.150) 4.150 7.848 ( 0.000 0.000 -2.614) 2.614 8.235 ( 0.000 0.000 -8.154) 8.154 8.554 ( 0.000 0.000 5.641) 5.641 8.777 ( 0.000 0.000 -9.214) 9.214 8.802 ( 0.000 0.000 1.702) 1.702 8.807 ( 0.000 0.000 1.780) 1.780 9.185 ( 0.000 0.000 -0.777) 0.777 9.185 ( 0.000 0.000 -0.616) 0.616 9.380 ( 0.000 0.000 -4.976) 4.976 9.504 ( 0.000 0.000 -1.314) 1.314 9.734 ( 0.000 0.000 7.821) 7.821 9.833 ( 0.000 0.000 0.972) 0.972 9.982 ( 0.000 0.000 -2.260) 2.260 10.055 ( 0.000 0.000 -2.150) 2.150 10.056 ( 0.000 0.000 0.823) 0.823 10.110 ( 0.000 0.000 1.272) 1.272 10.116 ( 0.000 0.000 -1.569) 1.569 10.147 ( 0.000 0.000 0.459) 0.459 10.153 ( 0.000 0.000 0.160) 0.160 10.180 ( 0.000 0.000 -1.157) 1.157 10.452 ( 0.000 0.000 -3.360) 3.360 10.479 ( 0.000 0.000 1.038) 1.038 10.545 ( 0.000 0.000 3.832) 3.832 10.605 ( 0.000 0.000 2.605) 2.605 10.616 ( 0.000 0.000 -6.008) 6.008 10.672 ( 0.000 0.000 -6.706) 6.706 10.763 ( 0.000 0.000 -0.290) 0.290 10.805 ( 0.000 0.000 6.766) 6.766 10.871 ( 0.000 0.000 0.006) 0.006 11.379 ( 0.000 0.000 12.247) 12.247 11.440 ( 0.000 0.000 5.303) 5.303 11.441 ( 0.000 0.000 4.978) 4.978 11.468 ( 0.000 0.000 6.167) 6.167 11.499 ( 0.000 0.000 5.602) 5.602 11.518 ( 0.000 0.000 6.089) 6.089 11.551 ( 0.000 0.000 0.430) 0.430 11.557 ( 0.000 0.000 -0.407) 0.407 12.120 ( 0.000 0.000 1.317) 1.317 12.297 ( 0.000 0.000 2.229) 2.229 12.309 ( 0.000 0.000 1.710) 1.710 12.324 ( 0.000 0.000 3.441) 3.441 12.919 ( 0.000 0.000 -1.405) 1.405 13.128 ( 0.000 0.000 -2.654) 2.654 14.337 ( 0.000 0.000 -5.991) 5.991 14.439 ( 0.000 0.000 -6.537) 6.537 ======================= Grid point 46 (18/80) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 21.773 0.000 17.995) 28.247 0.812 ( 18.394 0.000 23.796) 30.076 1.126 ( -23.909 0.000 12.601) 27.027 1.217 ( -25.875 0.000 15.321) 30.070 1.390 ( 27.442 0.000 39.714) 48.273 1.901 ( -23.116 0.000 25.495) 34.415 2.214 ( 21.994 0.000 3.377) 22.252 2.366 ( 15.946 0.000 4.340) 16.526 2.590 ( -21.463 0.000 2.455) 21.603 2.768 ( -23.925 0.000 1.843) 23.996 3.186 ( 26.610 0.000 9.330) 28.198 3.210 ( 14.175 0.000 -0.098) 14.175 3.415 ( -9.854 0.000 -2.210) 10.099 3.555 ( -11.540 0.000 0.099) 11.541 3.712 ( 3.694 0.000 -3.385) 5.011 3.756 ( 7.602 0.000 -1.500) 7.748 3.761 ( -1.987 0.000 -4.753) 5.151 3.924 ( -5.921 0.000 -4.443) 7.403 4.245 ( 5.753 0.000 0.272) 5.760 4.332 ( -3.815 0.000 -0.922) 3.925 4.687 ( 4.945 0.000 -2.305) 5.456 4.818 ( -10.190 0.000 -0.197) 10.192 5.248 ( 8.806 0.000 -0.344) 8.812 5.366 ( -4.789 0.000 -0.361) 4.803 7.236 ( 5.579 0.000 -1.843) 5.876 7.311 ( -3.312 0.000 -0.256) 3.322 7.819 ( 0.552 0.000 -3.988) 4.026 7.835 ( -1.164 0.000 -3.378) 3.573 8.291 ( 6.445 0.000 -4.223) 7.705 8.434 ( -9.641 0.000 0.230) 9.643 8.803 ( 0.142 0.000 1.721) 1.727 8.806 ( -0.142 0.000 1.761) 1.766 8.939 ( 13.741 0.000 -5.920) 14.962 9.180 ( -14.787 0.000 -2.909) 15.071 9.185 ( 0.004 0.000 -0.738) 0.738 9.185 ( 0.001 0.000 -0.657) 0.657 9.554 ( 5.113 0.000 3.109) 5.984 9.659 ( -6.532 0.000 5.038) 8.249 9.946 ( 5.083 0.000 -3.928) 6.425 9.984 ( -0.384 0.000 -2.610) 2.638 10.052 ( 0.857 0.000 0.941) 1.273 10.067 ( 1.319 0.000 -1.976) 2.376 10.084 ( -2.216 0.000 0.700) 2.324 10.095 ( -1.818 0.000 -1.612) 2.430 10.152 ( 0.390 0.000 0.214) 0.445 10.155 ( 0.036 0.000 0.255) 0.258 10.271 ( 8.294 0.000 -1.263) 8.390 10.403 ( -6.102 0.000 -2.264) 6.509 10.481 ( 0.392 0.000 1.079) 1.148 10.497 ( -1.849 0.000 1.958) 2.693 10.626 ( 1.196 0.000 -5.993) 6.111 10.652 ( -1.721 0.000 -6.144) 6.380 10.694 ( 6.044 0.000 4.344) 7.444 10.776 ( -3.457 0.000 6.116) 7.025 10.796 ( 3.067 0.000 -0.616) 3.128 10.847 ( -2.605 0.000 -0.275) 2.620 11.383 ( 0.780 0.000 11.888) 11.914 11.418 ( -3.102 0.000 9.485) 9.979 11.456 ( 1.549 0.000 5.142) 5.370 11.465 ( -0.407 0.000 6.605) 6.617 11.467 ( -1.131 0.000 7.505) 7.589 11.484 ( -1.540 0.000 5.423) 5.638 11.553 ( 0.228 0.000 0.238) 0.330 11.556 ( -0.105 0.000 -0.150) 0.183 12.162 ( 4.431 0.000 1.479) 4.671 12.247 ( -4.823 0.000 1.700) 5.114 12.315 ( 0.410 0.000 2.713) 2.743 12.323 ( -0.336 0.000 2.964) 2.983 12.971 ( 5.398 0.000 -1.553) 5.617 13.071 ( -5.556 0.000 -1.826) 5.848 14.364 ( 2.877 0.000 -6.143) 6.784 14.415 ( -2.593 0.000 -6.435) 6.938 ======================= Grid point 48 (19/80) ======================= q-point: ( 0.00 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 23.403 23.220) 32.967 0.980 ( 0.000 22.304 25.365) 33.776 1.422 ( 0.000 38.324 29.876) 48.593 1.570 ( 0.000 15.254 10.685) 18.624 1.691 ( 0.000 -0.807 -4.276) 4.352 1.736 ( 0.000 9.394 25.352) 27.037 2.148 ( 0.000 11.130 3.919) 11.800 2.751 ( 0.000 14.495 13.892) 20.077 2.874 ( 0.000 16.842 7.571) 18.465 3.006 ( 0.000 10.725 0.640) 10.744 3.051 ( 0.000 7.221 2.660) 7.696 3.146 ( 0.000 7.985 5.530) 9.713 3.510 ( 0.000 4.232 -7.523) 8.632 3.647 ( 0.000 12.638 -3.982) 13.251 3.771 ( 0.000 10.057 -1.313) 10.143 3.832 ( 0.000 6.297 -3.333) 7.125 3.926 ( 0.000 2.944 -1.223) 3.188 3.998 ( 0.000 11.832 -3.108) 12.233 4.205 ( 0.000 1.737 1.621) 2.376 4.381 ( 0.000 1.972 -1.257) 2.338 4.643 ( 0.000 -0.273 -3.130) 3.142 4.965 ( 0.000 0.516 1.185) 1.293 5.118 ( 0.000 -0.484 -0.936) 1.054 5.397 ( 0.000 -0.913 -0.161) 0.927 7.208 ( 0.000 4.572 1.100) 4.703 7.353 ( 0.000 1.813 1.380) 2.278 7.839 ( 0.000 2.359 -4.102) 4.732 7.852 ( 0.000 0.455 -2.263) 2.308 8.252 ( 0.000 2.774 -6.488) 7.056 8.536 ( 0.000 -1.241 5.484) 5.622 8.749 ( 0.000 -2.482 -5.330) 5.880 8.794 ( 0.000 -0.826 -1.884) 2.057 8.822 ( 0.000 0.787 1.726) 1.897 9.187 ( 0.000 -1.662 0.088) 1.664 9.193 ( 0.000 0.696 -1.071) 1.277 9.332 ( 0.000 -7.590 2.781) 8.084 9.355 ( 0.000 -2.685 -4.734) 5.443 9.677 ( 0.000 -4.667 7.682) 8.988 9.758 ( 0.000 -7.509 1.409) 7.641 9.895 ( 0.000 -7.057 -1.563) 7.228 9.966 ( 0.000 -7.600 1.454) 7.738 10.005 ( 0.000 -4.556 -0.893) 4.643 10.025 ( 0.000 -5.795 1.610) 6.014 10.125 ( 0.000 -5.375 3.030) 6.170 10.147 ( 0.000 2.683 -1.550) 3.099 10.193 ( 0.000 1.657 -1.554) 2.272 10.223 ( 0.000 5.783 -0.251) 5.788 10.396 ( 0.000 -5.792 -0.128) 5.794 10.398 ( 0.000 -4.704 -2.313) 5.242 10.441 ( 0.000 -2.075 0.930) 2.274 10.579 ( 0.000 -1.960 3.414) 3.937 10.724 ( 0.000 -4.349 4.194) 6.042 10.773 ( 0.000 9.242 -8.390) 12.482 10.861 ( 0.000 11.359 -6.941) 13.311 10.899 ( 0.000 9.035 -1.521) 9.162 10.975 ( 0.000 8.000 -0.794) 8.039 11.385 ( 0.000 0.531 11.865) 11.877 11.419 ( 0.000 -1.682 2.988) 3.429 11.428 ( 0.000 2.132 10.266) 10.485 11.444 ( 0.000 -1.905 3.249) 3.767 11.497 ( 0.000 -0.300 5.218) 5.226 11.510 ( 0.000 -0.586 5.328) 5.361 11.575 ( 0.000 2.278 2.891) 3.681 11.596 ( 0.000 3.441 3.069) 4.611 12.136 ( 0.000 1.553 1.422) 2.106 12.313 ( 0.000 0.401 1.821) 1.865 12.316 ( 0.000 1.768 1.949) 2.632 12.340 ( 0.000 1.505 3.087) 3.434 12.933 ( 0.000 1.384 -0.766) 1.582 13.127 ( 0.000 0.559 -1.450) 1.554 14.325 ( 0.000 -1.273 -5.883) 6.019 14.418 ( 0.000 -2.063 -6.392) 6.717 ======================= Grid point 49 (20/80) ======================= q-point: ( 0.33 0.07 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 6.377 21.259 19.927) 29.828 1.114 ( 13.933 18.679 23.241) 32.912 1.200 ( -22.260 11.144 11.521) 27.431 1.428 ( -20.221 14.558 18.652) 31.125 1.709 ( 26.024 32.404 24.812) 48.403 2.053 ( 4.250 12.592 14.903) 19.968 2.363 ( 3.294 15.735 5.090) 16.863 2.446 ( 10.414 8.288 7.342) 15.200 2.672 ( -21.407 7.652 1.731) 22.799 2.835 ( -21.898 6.945 2.898) 23.155 3.292 ( 20.312 10.781 4.693) 23.469 3.320 ( 15.560 10.450 1.648) 18.816 3.541 ( -9.448 11.837 -1.451) 15.215 3.615 ( -7.186 6.327 -1.213) 9.651 3.778 ( 6.031 4.440 -2.474) 7.887 3.823 ( 3.385 10.202 -3.667) 11.358 3.895 ( -1.558 10.110 -2.507) 10.533 3.963 ( -6.350 5.244 -3.436) 8.924 4.267 ( 5.710 2.530 -0.020) 6.245 4.350 ( -3.604 2.123 -1.305) 4.382 4.687 ( 5.347 0.133 -1.913) 5.680 4.823 ( -10.289 0.556 -0.063) 10.304 5.241 ( 8.612 -0.652 -0.253) 8.641 5.356 ( -4.733 -0.874 -0.169) 4.816 7.260 ( 4.627 2.989 -0.257) 5.514 7.327 ( -2.909 2.115 0.446) 3.624 7.840 ( 0.189 1.987 -3.760) 4.257 7.847 ( -0.516 1.174 -2.984) 3.248 8.308 ( 6.107 2.178 -4.029) 7.633 8.437 ( -8.426 0.631 0.535) 8.466 8.771 ( 1.001 -2.868 0.238) 3.047 8.785 ( -0.664 -1.971 0.714) 2.199 8.934 ( 10.864 -0.694 -3.088) 11.315 9.122 ( -9.858 -4.521 -1.038) 10.895 9.197 ( 0.410 0.916 -1.160) 1.534 9.213 ( -2.383 1.534 -1.798) 3.356 9.485 ( 6.947 -5.372 1.318) 8.880 9.595 ( -6.198 -5.419 4.306) 9.291 9.852 ( 5.449 -7.328 0.338) 9.138 9.895 ( -0.461 -6.987 -1.188) 7.102 9.966 ( 0.653 -6.944 1.226) 7.082 9.992 ( -1.611 -5.925 0.445) 6.157 10.046 ( 2.315 -6.107 1.118) 6.626 10.094 ( -2.951 -5.930 2.236) 6.991 10.151 ( 0.429 2.158 -1.193) 2.503 10.166 ( -1.418 2.228 -0.933) 2.801 10.278 ( 4.560 2.710 -1.513) 5.516 10.352 ( -3.716 -1.867 -1.941) 4.589 10.420 ( 0.960 -4.537 0.150) 4.639 10.434 ( -0.733 -2.830 0.869) 3.050 10.618 ( 3.956 -3.027 3.596) 6.143 10.687 ( -3.600 -3.368 3.461) 6.024 10.799 ( 2.258 8.693 -6.768) 11.246 10.838 ( -2.150 9.884 -6.069) 11.796 10.922 ( 2.091 9.389 -2.098) 9.845 10.957 ( -1.842 8.528 -1.321) 8.824 11.390 ( 0.592 0.816 11.142) 11.188 11.406 ( -1.162 0.232 7.923) 8.011 11.436 ( 0.623 0.081 6.658) 6.688 11.443 ( -0.156 -1.270 4.428) 4.610 11.488 ( -0.582 0.225 5.022) 5.060 11.493 ( -1.045 0.071 4.634) 4.751 11.582 ( 0.596 2.594 3.040) 4.040 11.592 ( -0.499 3.172 3.080) 4.449 12.174 ( 4.097 1.214 1.595) 4.562 12.255 ( -4.775 0.811 1.793) 5.164 12.332 ( 0.586 1.529 2.373) 2.883 12.340 ( -0.279 1.569 2.635) 3.079 12.984 ( 5.274 1.282 -0.962) 5.512 13.079 ( -5.072 0.947 -1.287) 5.317 14.350 ( 2.636 -1.496 -6.023) 6.742 14.397 ( -2.389 -1.896 -6.281) 6.982 ======================= Grid point 51 (21/80) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.000 20.537 25.996) 33.129 1.485 ( 0.000 30.499 13.765) 33.461 1.833 ( 0.000 14.862 0.586) 14.874 1.933 ( 0.000 20.473 9.564) 22.597 1.961 ( 0.000 16.470 21.500) 27.084 2.366 ( 0.000 11.647 8.649) 14.507 2.399 ( 0.000 49.875 11.113) 51.098 3.042 ( 0.000 12.129 4.000) 12.771 3.227 ( 0.000 9.489 2.636) 9.848 3.243 ( 0.000 13.892 -0.417) 13.898 3.374 ( 0.000 29.413 4.859) 29.811 3.454 ( 0.000 23.478 3.909) 23.801 3.645 ( 0.000 9.188 -4.504) 10.233 3.969 ( 0.000 6.595 -4.170) 7.803 3.988 ( 0.000 20.497 -3.335) 20.766 4.057 ( 0.000 16.421 -2.458) 16.604 4.066 ( 0.000 12.287 1.517) 12.380 4.280 ( 0.000 6.655 2.565) 7.132 4.309 ( 0.000 18.194 -4.467) 18.734 4.473 ( 0.000 8.551 -2.567) 8.928 4.647 ( 0.000 1.319 -1.456) 1.964 4.979 ( 0.000 0.927 1.640) 1.884 5.109 ( 0.000 -0.288 -1.070) 1.108 5.372 ( 0.000 -1.584 0.409) 1.636 7.338 ( 0.000 8.330 0.717) 8.361 7.424 ( 0.000 5.097 0.699) 5.145 7.863 ( 0.000 0.471 -1.411) 1.488 7.892 ( 0.000 2.188 -3.971) 4.534 8.349 ( 0.000 6.487 -6.516) 9.195 8.531 ( 0.000 1.454 4.825) 5.039 8.690 ( 0.000 -3.364 -3.303) 4.714 8.772 ( 0.000 -1.378 -3.919) 4.155 8.806 ( 0.000 -3.027 1.558) 3.405 9.057 ( 0.000 -8.923 -0.029) 8.923 9.203 ( 0.000 -0.214 -1.910) 1.922 9.259 ( 0.000 -7.181 -4.619) 8.539 9.312 ( 0.000 2.383 -0.746) 2.497 9.554 ( 0.000 -11.687 2.924) 12.047 9.591 ( 0.000 -3.108 7.677) 8.282 9.740 ( 0.000 -7.978 0.266) 7.983 9.793 ( 0.000 -8.913 2.225) 9.187 9.911 ( 0.000 -6.216 3.112) 6.951 9.919 ( 0.000 -12.257 4.863) 13.187 9.920 ( 0.000 -3.677 0.074) 3.678 10.205 ( 0.000 2.613 -1.578) 3.052 10.230 ( 0.000 0.943 -2.321) 2.506 10.295 ( 0.000 -4.211 -0.253) 4.219 10.334 ( 0.000 -2.348 -2.793) 3.649 10.359 ( 0.000 6.981 -0.717) 7.017 10.443 ( 0.000 2.786 0.523) 2.834 10.544 ( 0.000 -1.323 3.559) 3.797 10.630 ( 0.000 -4.187 3.256) 5.304 10.912 ( 0.000 4.524 -6.920) 8.268 11.022 ( 0.000 3.855 -7.016) 8.005 11.077 ( 0.000 7.647 -2.957) 8.199 11.139 ( 0.000 7.533 -4.059) 8.557 11.376 ( 0.000 -2.666 0.010) 2.666 11.407 ( 0.000 -1.493 -0.818) 1.702 11.439 ( 0.000 3.038 5.674) 6.436 11.480 ( 0.000 -0.602 4.334) 4.376 11.498 ( 0.000 3.185 7.030) 7.718 11.550 ( 0.000 7.224 10.624) 12.847 11.643 ( 0.000 4.542 6.126) 7.626 11.682 ( 0.000 4.937 6.178) 7.908 12.178 ( 0.000 2.558 1.902) 3.188 12.327 ( 0.000 1.067 2.505) 2.723 12.356 ( 0.000 2.026 0.978) 2.249 12.375 ( 0.000 1.789 1.895) 2.606 12.973 ( 0.000 2.478 0.850) 2.620 13.149 ( 0.000 1.336 -0.140) 1.343 14.282 ( 0.000 -3.071 -5.560) 6.352 14.355 ( 0.000 -4.372 -5.972) 7.401 ======================= Grid point 52 (22/80) ======================= q-point: ( 0.33 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 4.110 24.753 18.429) 31.132 1.500 ( 4.310 23.231 16.591) 28.871 1.577 ( -9.515 25.704 11.249) 29.627 1.752 ( -16.863 18.636 19.621) 31.885 2.295 ( 24.177 14.638 5.166) 28.731 2.501 ( 11.841 35.495 11.590) 39.172 2.619 ( 12.257 13.807 7.690) 20.000 2.820 ( -13.323 19.159 3.938) 23.666 2.919 ( -15.535 18.593 3.793) 24.524 3.097 ( -20.985 24.496 4.275) 32.538 3.550 ( 16.592 12.769 -0.501) 20.942 3.635 ( 11.889 20.193 1.266) 23.467 3.780 ( 2.913 9.988 -3.742) 11.057 3.824 ( -10.154 12.855 -2.442) 16.562 3.963 ( -0.502 14.536 1.218) 14.595 4.035 ( -2.840 12.437 -3.406) 13.204 4.133 ( 3.919 15.572 -0.876) 16.081 4.200 ( -4.693 14.504 -0.540) 15.254 4.384 ( 4.561 10.958 -2.409) 12.111 4.447 ( -2.821 8.982 -2.668) 9.785 4.701 ( 6.137 1.734 -0.675) 6.413 4.843 ( -10.049 1.613 0.412) 10.186 5.225 ( 8.020 -0.921 -0.024) 8.073 5.333 ( -4.500 -1.443 0.308) 4.735 7.364 ( 2.559 7.220 0.383) 7.670 7.406 ( -1.985 5.685 0.417) 6.036 7.870 ( 0.809 0.931 -2.082) 2.420 7.885 ( -0.785 1.771 -3.348) 3.868 8.386 ( 4.114 5.532 -4.402) 8.180 8.473 ( -5.435 3.242 0.505) 6.349 8.707 ( 1.582 -3.347 -1.052) 3.849 8.737 ( -1.988 -2.679 -0.482) 3.371 8.890 ( 6.830 -4.090 -1.775) 8.157 9.003 ( -5.771 -7.273 -1.372) 9.386 9.206 ( 0.467 -0.649 -1.833) 2.000 9.223 ( -1.737 -2.002 -2.509) 3.650 9.386 ( 5.539 -3.444 -0.280) 6.529 9.475 ( -5.129 -6.245 2.641) 8.502 9.692 ( 6.836 -7.807 5.216) 11.614 9.747 ( 0.371 -7.507 0.877) 7.567 9.786 ( -0.310 -9.686 2.281) 9.956 9.841 ( -5.935 -10.851 4.601) 13.196 9.920 ( 0.729 -5.540 1.418) 5.765 9.932 ( -0.414 -5.666 2.134) 6.069 10.211 ( 0.665 2.968 -1.656) 3.463 10.223 ( -0.684 2.459 -2.082) 3.294 10.306 ( 1.134 -4.001 -1.044) 4.288 10.326 ( -0.956 -3.091 -2.127) 3.872 10.383 ( 2.402 4.760 -0.218) 5.336 10.424 ( -2.038 2.878 0.459) 3.556 10.567 ( 2.328 -1.701 3.343) 4.414 10.609 ( -2.230 -3.210 3.226) 5.068 10.935 ( 2.543 4.355 -6.597) 8.304 10.986 ( -3.128 4.247 -6.327) 8.237 11.101 ( 1.918 7.331 -3.821) 8.487 11.129 ( -1.211 7.483 -4.041) 8.590 11.379 ( 0.367 -2.222 0.129) 2.256 11.391 ( -1.085 -1.293 0.220) 1.702 11.463 ( 1.684 0.586 3.408) 3.846 11.478 ( -0.288 -1.053 3.500) 3.667 11.502 ( 0.791 5.574 8.935) 10.560 11.530 ( -1.996 7.360 10.272) 12.793 11.655 ( 1.158 4.749 6.388) 8.044 11.674 ( -0.901 4.912 6.313) 8.050 12.209 ( 3.377 2.204 2.125) 4.558 12.279 ( -4.315 1.593 2.368) 5.173 12.367 ( 0.670 1.808 1.333) 2.344 12.376 ( -0.217 1.816 1.583) 2.419 13.020 ( 4.873 2.186 0.582) 5.373 13.107 ( -4.528 1.631 0.091) 4.814 14.302 ( 2.021 -3.423 -5.672) 6.927 14.338 ( -1.850 -4.072 -5.877) 7.385 ======================= Grid point 54 (23/80) ======================= q-point: ( 0.00 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 24.739 18.011) 30.601 2.108 ( 0.000 30.758 6.646) 31.468 2.252 ( 0.000 26.200 4.698) 26.618 2.332 ( 0.000 21.073 18.200) 27.844 2.394 ( 0.000 25.026 6.139) 25.768 2.636 ( 0.000 15.579 8.261) 17.633 3.264 ( 0.000 11.107 1.756) 11.245 3.312 ( 0.000 33.009 6.643) 33.671 3.413 ( 0.000 9.493 2.382) 9.787 3.539 ( 0.000 23.230 -3.065) 23.431 3.843 ( 0.000 10.624 2.156) 10.841 3.978 ( 0.000 21.004 -3.754) 21.337 4.001 ( 0.000 28.793 -0.325) 28.795 4.116 ( 0.000 14.851 -0.379) 14.856 4.290 ( 0.000 10.486 3.518) 11.061 4.411 ( 0.000 19.794 -2.530) 19.955 4.463 ( 0.000 22.812 -2.234) 22.921 4.517 ( 0.000 17.373 0.832) 17.393 4.618 ( 0.000 9.768 -5.994) 11.460 4.764 ( 0.000 19.854 -2.380) 19.996 4.779 ( 0.000 14.431 0.745) 14.451 5.015 ( 0.000 3.889 2.916) 4.860 5.110 ( 0.000 0.541 -1.105) 1.231 5.333 ( 0.000 -2.297 1.565) 2.779 7.531 ( 0.000 10.637 -0.009) 10.637 7.540 ( 0.000 5.901 -1.122) 6.007 7.865 ( 0.000 -0.438 -0.549) 0.703 7.891 ( 0.000 -2.934 -3.292) 4.409 8.489 ( 0.000 7.044 -6.744) 9.752 8.603 ( 0.000 -6.068 -4.436) 7.517 8.610 ( 0.000 6.142 2.909) 6.796 8.697 ( 0.000 -7.336 1.215) 7.436 8.725 ( 0.000 -4.067 -4.965) 6.418 8.884 ( 0.000 -7.738 -2.077) 8.012 9.068 ( 0.000 -11.616 -1.666) 11.735 9.150 ( 0.000 -5.681 -2.167) 6.080 9.353 ( 0.000 0.208 1.229) 1.246 9.377 ( 0.000 -3.715 2.536) 4.498 9.560 ( 0.000 -0.769 6.969) 7.011 9.585 ( 0.000 -7.434 2.324) 7.789 9.630 ( 0.000 -7.412 2.740) 7.902 9.673 ( 0.000 -8.536 7.041) 11.065 9.827 ( 0.000 -2.941 1.733) 3.413 9.856 ( 0.000 -2.755 0.685) 2.839 10.162 ( 0.000 -4.159 -0.662) 4.212 10.262 ( 0.000 1.472 -1.526) 2.120 10.270 ( 0.000 -3.503 -1.856) 3.964 10.275 ( 0.000 0.177 -1.334) 1.345 10.503 ( 0.000 6.902 -2.236) 7.255 10.529 ( 0.000 5.188 -1.138) 5.311 10.532 ( 0.000 0.653 2.215) 2.310 10.594 ( 0.000 0.686 3.100) 3.175 10.965 ( 0.000 1.208 -4.136) 4.309 11.040 ( 0.000 -0.957 -2.578) 2.750 11.183 ( 0.000 2.669 -1.205) 2.929 11.232 ( 0.000 0.142 0.185) 0.233 11.340 ( 0.000 1.020 -6.670) 6.748 11.390 ( 0.000 0.159 -5.434) 5.436 11.444 ( 0.000 -0.563 2.025) 2.102 11.464 ( 0.000 -0.410 2.039) 2.080 11.642 ( 0.000 8.383 5.691) 10.132 11.731 ( 0.000 9.703 7.662) 12.364 11.745 ( 0.000 5.069 6.036) 7.882 11.779 ( 0.000 4.364 5.476) 7.002 12.233 ( 0.000 2.817 3.217) 4.276 12.359 ( 0.000 2.186 4.374) 4.890 12.393 ( 0.000 1.659 -0.392) 1.705 12.408 ( 0.000 1.452 0.167) 1.462 13.022 ( 0.000 2.150 2.783) 3.517 13.167 ( 0.000 0.220 1.776) 1.790 14.196 ( 0.000 -5.724 -5.028) 7.618 14.241 ( 0.000 -7.139 -5.306) 8.895 ======================= Grid point 55 (24/80) ======================= q-point: ( 0.33 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 7.497 24.066 16.447) 30.098 2.035 ( -7.508 26.577 9.993) 29.369 2.164 ( -3.042 31.820 9.227) 33.270 2.202 ( -8.238 26.997 13.049) 31.097 2.623 ( 19.841 18.745 3.661) 27.540 2.850 ( 17.579 14.252 8.309) 24.108 2.986 ( -21.177 14.686 1.925) 25.843 3.152 ( -15.790 12.520 6.680) 21.230 3.539 ( 11.436 40.613 3.152) 42.310 3.744 ( 3.593 17.860 -1.824) 18.309 3.781 ( -0.645 25.561 0.658) 25.578 3.938 ( 4.968 9.548 -0.294) 10.767 4.013 ( -6.582 8.934 -3.440) 11.618 4.066 ( -5.101 14.596 -1.231) 15.511 4.307 ( 5.027 20.442 4.110) 21.449 4.403 ( -4.908 22.003 0.198) 22.545 4.479 ( 3.428 18.734 -2.697) 19.236 4.514 ( -0.810 18.636 -2.719) 18.851 4.657 ( 4.173 11.001 -4.116) 12.465 4.727 ( -3.282 15.971 -2.434) 16.486 4.820 ( 3.709 14.045 0.704) 14.544 4.912 ( -7.139 7.549 1.403) 10.485 5.207 ( 6.707 -0.775 0.652) 6.783 5.299 ( -3.913 -1.933 1.339) 4.565 7.535 ( 0.397 9.398 -0.368) 9.413 7.540 ( -0.102 7.104 -0.903) 7.162 7.870 ( 0.645 -1.116 -1.198) 1.760 7.884 ( -0.788 -2.372 -2.571) 3.586 8.511 ( 2.395 6.096 -5.654) 8.652 8.560 ( -3.090 3.134 -3.272) 5.484 8.637 ( 1.528 -2.493 0.229) 2.933 8.665 ( -1.955 -4.864 -0.059) 5.242 8.778 ( 4.219 -6.498 -3.339) 8.436 8.848 ( -3.692 -7.541 -2.761) 8.838 9.092 ( 2.373 -10.040 -1.244) 10.392 9.132 ( -1.965 -7.102 -1.608) 7.542 9.358 ( 0.610 -1.077 1.541) 1.977 9.370 ( -0.695 -2.972 2.177) 3.748 9.584 ( 2.504 -3.906 6.046) 7.621 9.599 ( 1.683 -5.745 3.145) 6.762 9.618 ( -1.357 -7.572 2.789) 8.183 9.645 ( -2.975 -5.748 6.563) 9.218 9.837 ( 0.970 -3.055 1.682) 3.620 9.852 ( -0.619 -3.006 1.186) 3.290 10.187 ( 2.644 -4.340 -0.916) 5.164 10.236 ( -2.652 -3.647 -1.179) 4.661 10.271 ( 0.364 1.183 -1.793) 2.179 10.278 ( -0.249 0.382 -1.743) 1.802 10.498 ( 0.025 5.549 -1.245) 5.687 10.509 ( -1.105 5.068 -0.704) 5.235 10.564 ( 1.944 1.718 1.541) 3.018 10.588 ( -0.857 1.150 2.451) 2.840 10.982 ( 1.881 0.799 -3.834) 4.345 11.019 ( -2.111 -0.206 -3.107) 3.762 11.196 ( 1.352 1.874 -0.711) 2.418 11.220 ( -1.283 0.712 -0.065) 1.468 11.351 ( 1.146 0.777 -6.325) 6.474 11.375 ( -1.492 0.416 -5.672) 5.880 11.451 ( 0.605 -0.637 2.006) 2.190 11.460 ( -0.446 -0.506 2.035) 2.144 11.662 ( 2.174 8.502 6.000) 10.630 11.703 ( -2.342 8.702 6.773) 11.273 11.761 ( 1.035 5.496 6.165) 8.324 11.775 ( -0.537 4.808 5.724) 7.494 12.259 ( 2.894 2.743 3.578) 5.357 12.319 ( -3.709 2.453 4.012) 5.989 12.401 ( 0.629 1.574 -0.154) 1.702 12.409 ( -0.190 1.536 0.079) 1.549 13.061 ( 4.024 1.615 2.533) 5.021 13.133 ( -3.746 0.665 2.028) 4.311 14.208 ( 1.243 -6.100 -5.103) 8.049 14.230 ( -1.139 -6.805 -5.241) 8.665 ======================= Grid point 57 (25/80) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 0.000 26.804 11.461) 29.152 2.680 ( 0.000 26.326 1.684) 26.380 2.784 ( 0.000 23.688 12.730) 26.892 2.816 ( 0.000 27.565 7.439) 28.551 2.920 ( 0.000 27.055 4.520) 27.430 2.995 ( 0.000 20.912 5.429) 21.605 3.496 ( 0.000 11.774 1.490) 11.868 3.627 ( 0.000 12.637 1.045) 12.680 3.632 ( 0.000 10.564 0.252) 10.567 3.960 ( 0.000 8.055 1.892) 8.274 4.103 ( 0.000 2.580 -2.920) 3.897 4.339 ( 0.000 35.381 2.376) 35.461 4.391 ( 0.000 9.230 -0.542) 9.246 4.458 ( 0.000 11.544 -3.627) 12.101 4.730 ( 0.000 16.998 0.471) 17.004 4.741 ( 0.000 29.187 3.542) 29.401 4.808 ( 0.000 6.801 -4.098) 7.940 4.910 ( 0.000 18.975 -1.393) 19.026 4.922 ( 0.000 21.316 -3.423) 21.589 5.064 ( 0.000 16.509 3.323) 16.840 5.142 ( 0.000 4.471 -0.346) 4.484 5.192 ( 0.000 6.130 -0.953) 6.203 5.195 ( 0.000 21.264 -1.013) 21.288 5.332 ( 0.000 8.542 4.717) 9.758 7.626 ( 0.000 1.788 -4.286) 4.644 7.747 ( 0.000 9.955 -1.508) 10.068 7.779 ( 0.000 -7.546 -2.796) 8.048 7.844 ( 0.000 -1.215 -0.164) 1.226 8.420 ( 0.000 -12.102 -7.484) 14.229 8.521 ( 0.000 -7.762 -3.193) 8.393 8.572 ( 0.000 -11.538 -4.718) 12.465 8.600 ( 0.000 0.461 -1.991) 2.044 8.750 ( 0.000 6.588 3.142) 7.298 8.794 ( 0.000 0.114 -6.584) 6.585 8.845 ( 0.000 -9.191 2.400) 9.499 9.041 ( 0.000 -4.314 -0.879) 4.403 9.266 ( 0.000 -6.440 6.901) 9.439 9.375 ( 0.000 1.368 0.494) 1.455 9.461 ( 0.000 -3.934 3.657) 5.371 9.498 ( 0.000 -4.994 3.464) 6.078 9.572 ( 0.000 2.598 3.149) 4.082 9.635 ( 0.000 1.659 7.464) 7.646 9.804 ( 0.000 0.789 1.870) 2.029 9.812 ( 0.000 -1.507 0.784) 1.699 10.095 ( 0.000 -2.602 0.163) 2.607 10.201 ( 0.000 -3.308 -1.426) 3.602 10.248 ( 0.000 -1.107 -0.559) 1.241 10.300 ( 0.000 0.805 -2.054) 2.206 10.574 ( 0.000 2.899 0.775) 3.001 10.627 ( 0.000 5.525 -3.496) 6.538 10.630 ( 0.000 2.182 2.460) 3.288 10.635 ( 0.000 5.017 -3.378) 6.048 10.970 ( 0.000 -0.446 -1.040) 1.132 11.018 ( 0.000 -0.687 0.439) 0.815 11.167 ( 0.000 -4.112 1.678) 4.441 11.188 ( 0.000 -2.109 1.480) 2.577 11.412 ( 0.000 4.715 -7.964) 9.255 11.427 ( 0.000 3.331 -8.309) 8.952 11.442 ( 0.000 0.442 1.417) 1.484 11.467 ( 0.000 0.646 1.010) 1.199 11.795 ( 0.000 6.804 3.512) 7.657 11.821 ( 0.000 2.155 2.621) 3.394 11.843 ( 0.000 2.047 2.468) 3.206 11.906 ( 0.000 7.329 3.942) 8.322 12.288 ( 0.000 2.651 5.722) 6.306 12.409 ( 0.000 2.487 6.823) 7.262 12.428 ( 0.000 1.981 -2.052) 2.852 12.438 ( 0.000 1.878 -1.792) 2.596 13.049 ( 0.000 0.480 4.673) 4.698 13.150 ( 0.000 -1.998 4.063) 4.527 14.049 ( 0.000 -9.078 -4.280) 10.036 14.067 ( 0.000 -10.231 -4.414) 11.143 ======================= Grid point 58 (26/80) ======================= q-point: ( 0.33 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 6.279 26.112 10.778) 28.938 2.545 ( -10.366 24.917 8.423) 28.271 2.777 ( 0.425 29.312 6.514) 30.030 2.806 ( -2.004 30.524 7.208) 31.428 3.038 ( 12.386 22.470 3.245) 25.862 3.156 ( 14.399 16.200 5.892) 22.461 3.295 ( -17.015 16.825 1.248) 23.961 3.399 ( -13.189 12.561 4.580) 18.780 3.908 ( 13.520 7.685 -2.958) 15.831 4.022 ( 2.599 6.598 -0.127) 7.093 4.090 ( 1.665 4.271 -0.885) 4.669 4.244 ( -11.193 7.904 0.734) 13.722 4.396 ( 5.077 34.289 1.613) 34.700 4.483 ( -2.959 25.331 -1.571) 25.552 4.681 ( 1.890 13.192 1.005) 13.365 4.755 ( -4.722 6.708 -2.434) 8.557 4.840 ( 4.560 22.308 0.429) 22.774 4.891 ( -1.737 20.010 -1.985) 20.183 4.955 ( 2.948 19.196 -2.318) 19.559 5.017 ( -4.046 17.451 0.663) 17.926 5.157 ( 1.006 7.875 -0.906) 7.991 5.172 ( -0.843 10.827 -1.612) 10.979 5.249 ( 3.969 12.269 2.314) 13.101 5.309 ( -2.647 9.486 4.211) 10.711 7.647 ( 2.381 2.058 -3.988) 5.080 7.699 ( -3.512 3.347 -3.083) 5.748 7.813 ( 2.041 -1.457 -1.261) 2.807 7.837 ( -0.855 -1.082 -0.427) 1.444 8.434 ( 1.664 -11.363 -7.066) 13.484 8.475 ( -3.156 -9.666 -5.797) 11.704 8.614 ( 3.648 -4.829 0.177) 6.054 8.648 ( 3.561 -3.520 -3.881) 6.335 8.701 ( -3.112 1.021 1.883) 3.778 8.749 ( -4.606 -1.048 -5.620) 7.341 8.905 ( 5.150 -5.226 1.806) 7.556 8.992 ( -4.710 -4.403 0.459) 6.464 9.309 ( 3.643 -2.665 4.448) 6.337 9.358 ( -1.944 0.842 1.533) 2.615 9.467 ( 0.851 -5.066 4.047) 6.539 9.487 ( -1.218 -5.478 3.893) 6.830 9.590 ( 1.841 2.267 3.739) 4.744 9.622 ( -1.551 1.717 5.877) 6.316 9.804 ( 0.220 -0.077 1.727) 1.743 9.810 ( -0.282 -0.822 1.341) 1.598 10.114 ( 2.107 -2.851 -0.069) 3.546 10.161 ( -3.166 -3.230 -0.591) 4.561 10.275 ( 1.768 -0.380 -1.525) 2.365 10.295 ( -0.618 0.565 -2.006) 2.174 10.583 ( 1.044 3.306 0.669) 3.531 10.607 ( -1.629 3.612 0.380) 3.981 10.634 ( 0.544 4.652 -2.596) 5.355 10.641 ( -0.059 3.925 -1.856) 4.343 10.981 ( 1.208 -0.588 -0.792) 1.559 11.005 ( -1.342 -0.728 -0.084) 1.529 11.173 ( 0.631 -3.532 1.855) 4.039 11.183 ( -0.493 -2.551 1.726) 3.120 11.413 ( 0.195 4.419 -8.059) 9.193 11.420 ( -0.561 3.679 -8.053) 8.871 11.449 ( 0.714 0.558 1.094) 1.420 11.461 ( -0.613 0.618 1.061) 1.373 11.806 ( 1.054 4.821 3.269) 5.919 11.823 ( -0.578 3.215 3.132) 4.525 11.850 ( 1.642 3.651 2.512) 4.727 11.887 ( -2.054 6.379 3.446) 7.536 12.314 ( 2.858 2.686 5.866) 7.056 12.371 ( -3.374 2.505 5.824) 7.182 12.436 ( 0.556 2.130 -1.667) 2.761 12.442 ( -0.033 1.982 -1.240) 2.338 13.076 ( 2.756 -0.199 4.544) 5.318 13.126 ( -2.623 -1.427 4.234) 5.181 14.054 ( 0.515 -9.381 -4.315) 10.338 14.063 ( -0.461 -9.956 -4.382) 10.888 ======================= Grid point 60 (27/80) ======================= q-point: ( 0.00 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 0.000 25.974 6.514) 26.778 3.136 ( 0.000 19.070 1.463) 19.126 3.252 ( 0.000 22.470 7.543) 23.702 3.300 ( 0.000 21.773 4.903) 22.318 3.438 ( 0.000 20.217 2.607) 20.385 3.442 ( 0.000 24.164 2.691) 24.314 3.708 ( 0.000 8.901 0.763) 8.933 3.817 ( 0.000 7.221 -0.802) 7.265 3.949 ( 0.000 19.925 0.744) 19.939 4.089 ( 0.000 5.774 3.831) 6.929 4.123 ( 0.000 0.382 0.057) 0.386 4.521 ( 0.000 5.838 0.439) 5.854 4.551 ( 0.000 1.284 -0.759) 1.492 4.762 ( 0.000 -4.962 -1.261) 5.119 4.967 ( 0.000 16.740 -0.487) 16.747 5.011 ( 0.000 -4.600 -0.382) 4.616 5.132 ( 0.000 12.796 0.104) 12.796 5.252 ( 0.000 19.587 -0.426) 19.592 5.259 ( 0.000 21.687 1.231) 21.722 5.379 ( 0.000 16.156 0.676) 16.170 5.396 ( 0.000 17.333 0.227) 17.334 5.420 ( 0.000 16.601 1.357) 16.657 5.581 ( 0.000 16.150 -0.110) 16.151 5.612 ( 0.000 13.487 1.514) 13.572 7.573 ( 0.000 -6.508 -5.403) 8.459 7.653 ( 0.000 -4.139 -5.080) 6.553 7.762 ( 0.000 -4.503 -2.212) 5.017 7.908 ( 0.000 -1.248 -3.783) 3.984 8.204 ( 0.000 -4.681 -7.315) 8.685 8.340 ( 0.000 -8.643 -3.468) 9.312 8.364 ( 0.000 -7.148 -3.165) 7.818 8.574 ( 0.000 -3.002 -0.097) 3.003 8.698 ( 0.000 -6.079 3.180) 6.861 8.738 ( 0.000 -3.293 -4.091) 5.252 8.930 ( 0.000 7.777 -2.000) 8.030 8.957 ( 0.000 -4.477 0.698) 4.531 9.224 ( 0.000 2.408 4.573) 5.168 9.385 ( 0.000 0.930 1.159) 1.486 9.413 ( 0.000 -3.199 5.833) 6.652 9.457 ( 0.000 1.583 2.236) 2.739 9.644 ( 0.000 3.698 3.130) 4.844 9.688 ( 0.000 3.755 7.781) 8.640 9.805 ( 0.000 0.892 0.936) 1.292 9.856 ( 0.000 4.119 1.873) 4.525 10.047 ( 0.000 -2.676 1.076) 2.884 10.140 ( 0.000 -2.747 -0.760) 2.850 10.227 ( 0.000 -1.380 0.855) 1.624 10.292 ( 0.000 -1.839 -1.410) 2.317 10.623 ( 0.000 1.696 -1.336) 2.159 10.665 ( 0.000 1.257 0.271) 1.285 10.708 ( 0.000 2.071 -6.564) 6.883 10.724 ( 0.000 3.811 -5.549) 6.731 10.971 ( 0.000 1.125 2.870) 3.083 11.019 ( 0.000 0.869 2.768) 2.901 11.098 ( 0.000 -2.065 2.389) 3.158 11.143 ( 0.000 -1.826 2.814) 3.354 11.459 ( 0.000 1.110 0.614) 1.269 11.485 ( 0.000 1.002 0.409) 1.083 11.501 ( 0.000 3.414 -7.921) 8.626 11.504 ( 0.000 3.856 -6.767) 7.789 11.842 ( 0.000 0.701 -1.586) 1.734 11.872 ( 0.000 1.264 -1.302) 1.814 11.907 ( 0.000 4.220 1.406) 4.448 12.009 ( 0.000 2.815 0.567) 2.872 12.338 ( 0.000 2.385 8.648) 8.971 12.447 ( 0.000 1.202 8.710) 8.792 12.470 ( 0.000 2.205 -3.010) 3.732 12.494 ( 0.000 3.425 -2.909) 4.493 13.049 ( 0.000 0.064 5.986) 5.987 13.101 ( 0.000 -2.075 6.316) 6.648 13.833 ( 0.000 -12.620 -3.301) 13.044 13.835 ( 0.000 -12.700 -3.211) 13.100 ======================= Grid point 61 (28/80) ======================= q-point: ( 0.33 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 4.579 25.140 6.134) 26.279 3.025 ( -7.955 22.675 4.799) 24.504 3.303 ( 2.318 22.296 4.008) 22.772 3.327 ( 0.481 20.565 4.726) 21.107 3.489 ( 6.949 17.396 2.722) 18.929 3.502 ( 6.924 21.984 2.330) 23.166 3.630 ( -7.893 13.055 1.510) 15.330 3.665 ( -10.824 16.044 1.844) 19.442 4.052 ( 4.906 6.460 -1.560) 8.260 4.105 ( -1.774 2.004 -0.761) 2.783 4.184 ( 10.207 7.369 3.909) 13.182 4.372 ( -10.795 6.058 1.406) 12.459 4.656 ( 5.732 0.623 -1.130) 5.875 4.733 ( -3.322 -2.648 -1.380) 4.467 4.988 ( 1.794 10.067 -0.445) 10.235 5.008 ( -0.489 -0.849 -0.480) 1.091 5.143 ( 1.546 15.885 0.407) 15.965 5.189 ( -3.744 20.662 0.741) 21.011 5.312 ( 2.920 19.106 0.013) 19.327 5.355 ( -2.118 17.530 0.122) 17.658 5.408 ( 0.761 16.589 0.742) 16.623 5.417 ( -0.352 16.496 1.186) 16.542 5.590 ( 0.916 15.386 0.399) 15.419 5.605 ( -0.768 14.068 1.193) 14.139 7.587 ( 1.603 -6.303 -5.186) 8.319 7.623 ( -2.537 -5.415 -4.884) 7.721 7.805 ( 4.027 -2.895 -2.786) 5.689 7.874 ( -3.577 -1.494 -3.369) 5.136 8.222 ( 2.407 -6.545 -7.206) 10.028 8.282 ( -4.145 -6.949 -5.764) 9.934 8.462 ( 8.770 -7.347 -2.016) 11.617 8.607 ( 3.213 -2.363 1.172) 4.157 8.630 ( -9.901 -6.030 -2.231) 11.806 8.666 ( -3.207 -3.883 3.051) 5.888 8.954 ( 2.662 4.913 -2.052) 5.953 8.983 ( 0.144 0.587 -2.605) 2.674 9.275 ( 5.230 -0.171 4.852) 7.136 9.358 ( -3.560 -1.284 3.100) 4.892 9.413 ( 0.699 -0.498 4.491) 4.573 9.439 ( -1.886 1.508 3.295) 4.085 9.654 ( 1.054 3.578 3.678) 5.239 9.675 ( -1.262 3.512 5.858) 6.946 9.816 ( 1.244 1.578 1.491) 2.502 9.841 ( -1.495 3.055 1.941) 3.916 10.066 ( 2.058 -2.166 0.770) 3.085 10.108 ( -2.689 -2.152 0.058) 3.444 10.257 ( 2.297 -1.763 -0.132) 2.899 10.285 ( -0.903 -1.854 -1.051) 2.315 10.632 ( 0.981 1.564 -1.071) 2.134 10.653 ( -1.228 1.338 -0.393) 1.858 10.713 ( 0.434 2.529 -6.026) 6.550 10.720 ( -0.375 3.388 -5.621) 6.574 10.980 ( 1.010 0.980 2.812) 3.145 11.003 ( -1.512 0.794 2.727) 3.218 11.113 ( 1.387 -1.877 2.544) 3.452 11.135 ( -0.969 -1.819 2.741) 3.429 11.465 ( 0.721 1.126 0.527) 1.437 11.478 ( -0.695 1.097 0.385) 1.355 11.501 ( 0.002 3.521 -7.530) 8.313 11.502 ( -0.115 3.734 -6.949) 7.890 11.846 ( 0.608 1.007 -1.471) 1.884 11.861 ( -0.956 1.275 -1.285) 2.047 11.935 ( 2.794 3.650 1.135) 4.735 11.985 ( -2.606 3.065 0.822) 4.106 12.362 ( 2.567 2.086 8.051) 8.704 12.412 ( -2.993 1.565 7.091) 7.855 12.485 ( 0.826 2.490 -1.621) 3.084 12.493 ( -0.155 3.053 -2.343) 3.851 13.062 ( 1.388 -0.493 6.104) 6.280 13.088 ( -1.374 -1.559 6.266) 6.601 13.834 ( 0.059 -12.647 -3.279) 13.066 13.835 ( -0.035 -12.686 -3.233) 13.092 ======================= Grid point 63 (29/80) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 0.000 21.490 2.686) 21.658 3.463 ( 0.000 14.267 1.046) 14.305 3.641 ( 0.000 15.232 2.732) 15.475 3.669 ( 0.000 13.616 2.167) 13.787 3.735 ( 0.000 9.510 0.689) 9.535 3.813 ( 0.000 8.798 -0.833) 8.837 3.826 ( 0.000 2.439 -0.618) 2.516 3.872 ( 0.000 -0.517 -0.437) 0.677 4.184 ( 0.000 7.585 3.122) 8.202 4.224 ( 0.000 8.713 6.090) 10.631 4.382 ( 0.000 21.480 0.885) 21.498 4.549 ( 0.000 -1.469 2.256) 2.692 4.610 ( 0.000 2.913 1.409) 3.236 4.615 ( 0.000 -9.350 1.695) 9.503 4.826 ( 0.000 -11.055 1.551) 11.163 4.984 ( 0.000 -6.211 -0.609) 6.241 5.511 ( 0.000 15.788 0.797) 15.808 5.589 ( 0.000 11.776 -0.637) 11.794 5.591 ( 0.000 11.425 0.428) 11.433 5.640 ( 0.000 8.839 0.209) 8.841 5.690 ( 0.000 11.316 0.019) 11.316 5.697 ( 0.000 11.023 1.039) 11.072 5.808 ( 0.000 5.788 0.808) 5.844 5.814 ( 0.000 6.857 0.410) 6.869 7.472 ( 0.000 -2.140 -5.407) 5.815 7.584 ( 0.000 -2.432 -7.000) 7.411 7.653 ( 0.000 -5.718 -4.718) 7.413 7.714 ( 0.000 -12.202 -5.908) 13.557 8.162 ( 0.000 -1.793 -5.832) 6.101 8.247 ( 0.000 -4.584 -5.772) 7.371 8.355 ( 0.000 5.790 -4.051) 7.067 8.471 ( 0.000 -5.598 2.992) 6.347 8.617 ( 0.000 -0.635 2.866) 2.935 8.708 ( 0.000 -0.370 -4.971) 4.985 8.880 ( 0.000 -2.389 2.563) 3.503 9.001 ( 0.000 -2.257 -1.025) 2.479 9.297 ( 0.000 4.516 2.210) 5.027 9.417 ( 0.000 3.455 5.420) 6.428 9.427 ( 0.000 2.604 1.180) 2.859 9.463 ( 0.000 -1.336 1.659) 2.130 9.716 ( 0.000 4.286 4.883) 6.498 9.783 ( 0.000 5.179 6.528) 8.333 9.840 ( 0.000 2.126 1.508) 2.606 9.960 ( 0.000 6.100 1.533) 6.289 9.972 ( 0.000 -5.173 3.048) 6.004 10.094 ( 0.000 -1.697 0.250) 1.715 10.172 ( 0.000 -4.258 2.238) 4.810 10.221 ( 0.000 -5.247 0.181) 5.250 10.653 ( 0.000 1.923 -4.217) 4.635 10.684 ( 0.000 0.861 -3.343) 3.452 10.721 ( 0.000 -0.456 -7.529) 7.543 10.757 ( 0.000 -0.758 -7.171) 7.211 11.021 ( 0.000 3.614 4.558) 5.817 11.056 ( 0.000 2.570 4.755) 5.405 11.088 ( 0.000 0.518 3.977) 4.010 11.122 ( 0.000 -0.599 4.175) 4.217 11.483 ( 0.000 1.316 -0.474) 1.399 11.503 ( 0.000 0.776 -0.306) 0.834 11.537 ( 0.000 -0.025 -4.984) 4.984 11.542 ( 0.000 -0.156 -4.320) 4.323 11.875 ( 0.000 2.841 -6.141) 6.766 11.916 ( 0.000 3.337 -5.995) 6.861 11.959 ( 0.000 0.877 -2.453) 2.605 12.022 ( 0.000 -1.120 -3.483) 3.659 12.391 ( 0.000 3.205 10.253) 10.743 12.462 ( 0.000 0.646 9.609) 9.630 12.500 ( 0.000 0.206 0.167) 0.265 12.535 ( 0.000 -0.474 0.890) 1.009 13.092 ( 0.000 5.545 4.575) 7.188 13.119 ( 0.000 4.897 5.287) 7.207 13.560 ( 0.000 -14.079 -1.620) 14.172 13.564 ( 0.000 -14.303 -1.754) 14.410 ======================= Grid point 64 (30/80) ======================= q-point: ( 0.33 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 2.369 20.515 2.461) 20.798 3.429 ( -3.204 17.401 1.751) 17.780 3.649 ( 0.390 12.579 2.288) 12.792 3.658 ( -0.823 12.771 2.148) 12.976 3.752 ( 2.413 7.851 0.114) 8.214 3.800 ( -2.539 4.378 -0.434) 5.080 3.847 ( 2.580 7.192 -0.598) 7.664 3.875 ( -0.398 2.529 -0.519) 2.612 4.185 ( 0.419 8.849 3.683) 9.594 4.204 ( -1.652 9.935 4.995) 11.242 4.420 ( 4.042 15.809 1.645) 16.400 4.501 ( -4.854 7.110 1.919) 8.820 4.604 ( 0.334 -6.223 2.033) 6.556 4.614 ( -0.543 -7.693 1.991) 7.965 4.879 ( 4.800 -8.718 0.647) 9.973 4.953 ( -3.453 -6.837 -0.286) 7.665 5.527 ( 1.660 15.133 0.691) 15.239 5.560 ( -2.021 13.500 0.356) 13.655 5.613 ( 1.214 10.101 -0.333) 10.180 5.631 ( -0.866 9.198 -0.098) 9.240 5.693 ( 0.228 11.189 0.389) 11.198 5.696 ( -0.129 11.078 0.886) 11.114 5.810 ( 0.160 6.036 0.688) 6.077 5.813 ( -0.139 6.569 0.490) 6.589 7.491 ( 2.186 -2.067 -5.594) 6.352 7.541 ( -3.483 -2.101 -6.114) 7.343 7.684 ( 2.140 -7.948 -5.568) 9.937 7.709 ( -0.788 -10.886 -5.773) 12.348 8.173 ( 2.794 0.269 -6.062) 6.680 8.259 ( -6.053 1.922 -4.357) 7.701 8.334 ( 6.578 -5.580 -4.749) 9.847 8.454 ( -5.461 -7.861 0.181) 9.574 8.630 ( 3.480 4.293 1.569) 5.745 8.691 ( -2.628 4.430 2.107) 5.566 8.919 ( 3.818 -5.361 -0.827) 6.634 8.979 ( -2.667 -4.248 -1.588) 5.261 9.323 ( 2.879 4.516 2.787) 6.038 9.380 ( -3.307 3.921 3.454) 6.184 9.443 ( 1.163 1.811 2.652) 3.415 9.460 ( -0.600 -0.208 2.157) 2.249 9.731 ( 1.583 4.566 5.165) 7.073 9.763 ( -1.937 5.097 5.902) 8.035 9.856 ( 1.841 1.798 1.879) 3.186 9.901 ( -3.369 1.414 2.291) 4.313 10.030 ( 3.288 -0.476 1.814) 3.786 10.074 ( -2.004 -0.983 0.991) 2.442 10.191 ( 1.640 -4.901 1.470) 5.373 10.213 ( -0.914 -5.278 0.574) 5.387 10.658 ( 0.669 1.685 -4.101) 4.484 10.673 ( -0.983 1.146 -3.783) 4.073 10.732 ( 1.013 -0.527 -7.240) 7.329 10.749 ( -0.892 -0.683 -7.179) 7.267 11.027 ( 0.721 3.469 4.634) 5.833 11.044 ( -1.083 2.975 4.707) 5.673 11.100 ( 1.057 0.119 4.039) 4.177 11.116 ( -0.713 -0.413 4.124) 4.205 11.488 ( 0.566 1.170 -0.425) 1.368 11.498 ( -0.513 0.900 -0.343) 1.091 11.538 ( 0.110 -0.035 -4.788) 4.790 11.541 ( -0.162 -0.104 -4.459) 4.464 11.884 ( 0.986 3.001 -6.113) 6.881 11.904 ( -1.191 3.245 -5.995) 6.920 11.976 ( 1.759 0.375 -2.703) 3.247 12.007 ( -1.612 -0.614 -3.161) 3.601 12.406 ( 1.643 2.655 9.660) 10.152 12.439 ( -2.040 1.490 8.869) 9.222 12.515 ( 1.107 -0.213 1.166) 1.622 12.530 ( -0.639 -0.451 1.048) 1.308 13.099 ( 0.739 5.386 4.764) 7.228 13.112 ( -0.722 5.062 5.119) 7.236 13.561 ( 0.109 -14.138 -1.654) 14.235 13.563 ( -0.099 -14.250 -1.721) 14.354 ======================= Grid point 66 (31/80) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 0.000 -10.322 0.295) 10.326 3.694 ( 0.000 10.322 0.295) 10.326 3.711 ( 0.000 -9.775 -0.107) 9.776 3.711 ( 0.000 9.775 -0.107) 9.776 3.815 ( 0.000 -1.888 0.106) 1.891 3.815 ( 0.000 1.888 0.106) 1.891 3.893 ( 0.000 -3.385 -0.266) 3.396 3.893 ( 0.000 3.385 -0.266) 3.396 4.392 ( 0.000 -11.601 3.720) 12.183 4.392 ( 0.000 11.601 3.720) 12.183 4.443 ( 0.000 -10.596 5.553) 11.963 4.443 ( 0.000 10.596 5.553) 11.963 4.655 ( 0.000 -2.959 1.132) 3.168 4.655 ( 0.000 2.959 1.132) 3.168 4.771 ( 0.000 -14.574 1.052) 14.612 4.771 ( 0.000 14.574 1.052) 14.612 5.691 ( 0.000 -1.900 -0.458) 1.954 5.691 ( 0.000 1.900 -0.458) 1.954 5.715 ( 0.000 -1.166 0.689) 1.354 5.715 ( 0.000 1.166 0.689) 1.354 5.833 ( 0.000 -2.121 0.136) 2.125 5.833 ( 0.000 2.121 0.136) 2.125 5.850 ( 0.000 -2.413 0.874) 2.566 5.850 ( 0.000 2.413 0.874) 2.566 7.513 ( 0.000 -6.270 -6.055) 8.716 7.513 ( 0.000 6.270 -6.055) 8.716 7.578 ( 0.000 -2.067 -6.308) 6.638 7.578 ( 0.000 2.067 -6.308) 6.638 8.174 ( 0.000 -2.613 -6.925) 7.402 8.174 ( 0.000 2.613 -6.925) 7.402 8.406 ( 0.000 -1.078 2.316) 2.554 8.406 ( 0.000 1.078 2.316) 2.554 8.678 ( 0.000 -3.540 -5.596) 6.621 8.678 ( 0.000 3.540 -5.596) 6.621 8.898 ( 0.000 -4.791 4.460) 6.545 8.898 ( 0.000 4.791 4.460) 6.545 9.399 ( 0.000 -4.740 1.544) 4.986 9.399 ( 0.000 4.740 1.544) 4.986 9.462 ( 0.000 -0.020 1.836) 1.836 9.462 ( 0.000 0.020 1.836) 1.836 9.833 ( 0.000 -6.282 4.398) 7.668 9.833 ( 0.000 6.282 4.398) 7.668 9.863 ( 0.000 -2.558 4.503) 5.179 9.863 ( 0.000 2.558 4.503) 5.179 10.088 ( 0.000 -4.673 0.913) 4.761 10.088 ( 0.000 4.673 0.913) 4.761 10.098 ( 0.000 -4.631 2.076) 5.075 10.098 ( 0.000 4.631 2.076) 5.075 10.702 ( 0.000 -1.487 -6.273) 6.447 10.702 ( 0.000 1.487 -6.273) 6.447 10.711 ( 0.000 -2.884 -6.098) 6.745 10.711 ( 0.000 2.884 -6.098) 6.745 11.086 ( 0.000 -1.758 4.650) 4.971 11.086 ( 0.000 1.758 4.650) 4.971 11.100 ( 0.000 -1.660 4.869) 5.145 11.100 ( 0.000 1.660 4.869) 5.145 11.514 ( 0.000 -1.786 -2.148) 2.793 11.514 ( 0.000 1.786 -2.148) 2.793 11.521 ( 0.000 -1.184 -1.906) 2.244 11.521 ( 0.000 1.184 -1.906) 2.244 11.938 ( 0.000 -2.746 -6.747) 7.285 11.938 ( 0.000 2.746 -6.747) 7.285 11.982 ( 0.000 -2.720 -6.841) 7.362 11.982 ( 0.000 2.720 -6.841) 7.362 12.468 ( 0.000 -3.821 6.995) 7.971 12.468 ( 0.000 3.821 6.995) 7.971 12.487 ( 0.000 -2.189 7.657) 7.964 12.487 ( 0.000 2.189 7.657) 7.964 13.285 ( 0.000 -12.871 0.690) 12.889 13.285 ( 0.000 12.871 0.690) 12.889 13.294 ( 0.000 -11.901 1.187) 11.960 13.294 ( 0.000 11.901 1.187) 11.960 ======================= Grid point 68 (32/80) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.697 ( 0.394 -9.611 0.247) 9.622 3.697 ( 0.394 9.611 0.247) 9.622 3.706 ( -0.517 -9.112 0.073) 9.127 3.706 ( -0.517 9.112 0.073) 9.127 3.834 ( 2.038 -3.846 -0.070) 4.354 3.834 ( 2.038 3.846 -0.070) 4.354 3.873 ( -2.105 -4.337 -0.234) 4.826 3.873 ( -2.105 4.337 -0.234) 4.826 4.403 ( 1.244 -11.232 4.128) 12.031 4.403 ( 1.244 11.232 4.128) 12.031 4.428 ( -1.462 -10.789 4.998) 11.979 4.428 ( -1.462 10.789 4.998) 11.979 4.687 ( 3.278 -9.454 1.215) 10.080 4.687 ( 3.278 9.454 1.215) 10.080 4.744 ( -2.924 -13.506 1.138) 13.865 4.744 ( -2.924 13.506 1.138) 13.865 5.697 ( 0.655 -1.666 -0.234) 1.805 5.697 ( 0.655 1.666 -0.234) 1.805 5.709 ( -0.638 -1.287 0.331) 1.474 5.709 ( -0.638 1.287 0.331) 1.474 5.838 ( 0.487 -2.210 0.389) 2.296 5.838 ( 0.487 2.210 0.389) 2.296 5.846 ( -0.454 -2.351 0.749) 2.509 5.846 ( -0.454 2.351 0.749) 2.509 7.527 ( 1.616 -5.770 -6.166) 8.597 7.527 ( 1.616 5.770 -6.166) 8.597 7.559 ( -1.864 -4.081 -6.303) 7.736 7.559 ( -1.864 4.081 -6.303) 7.736 8.221 ( 5.209 -4.100 -5.585) 8.668 8.221 ( 5.209 4.100 -5.585) 8.668 8.330 ( -6.881 -4.384 -1.804) 8.356 8.330 ( -6.881 4.384 -1.804) 8.356 8.751 ( 6.586 -4.236 -1.284) 7.935 8.751 ( 6.586 4.236 -1.284) 7.935 8.854 ( -4.909 -4.576 2.897) 7.310 8.854 ( -4.909 4.576 2.897) 7.310 9.417 ( 1.800 -3.873 1.689) 4.592 9.417 ( 1.800 3.873 1.689) 4.592 9.448 ( -1.548 -1.841 1.818) 3.015 9.448 ( -1.548 1.841 1.818) 3.015 9.840 ( 0.752 -5.260 4.417) 6.910 9.840 ( 0.752 5.260 4.417) 6.910 9.855 ( -0.874 -3.400 4.464) 5.679 9.855 ( -0.874 3.400 4.464) 5.679 10.092 ( 0.345 -4.399 1.211) 4.576 10.092 ( 0.345 4.399 1.211) 4.576 10.097 ( -0.182 -4.393 1.789) 4.746 10.097 ( -0.182 4.393 1.789) 4.746 10.704 ( 0.205 -1.873 -6.234) 6.513 10.704 ( 0.205 1.873 -6.234) 6.513 10.708 ( -0.265 -2.563 -6.147) 6.665 10.708 ( -0.265 2.563 -6.147) 6.665 11.089 ( 0.376 -1.758 4.726) 5.056 11.089 ( 0.376 1.758 4.726) 5.056 11.096 ( -0.374 -1.708 4.836) 5.142 11.096 ( -0.374 1.708 4.836) 5.142 11.516 ( 0.194 -1.614 -2.089) 2.647 11.516 ( 0.194 1.614 -2.089) 2.647 11.519 ( -0.194 -1.312 -1.968) 2.373 11.519 ( -0.194 1.312 -1.968) 2.373 11.949 ( 1.168 -2.798 -6.778) 7.425 11.949 ( 1.168 2.798 -6.778) 7.425 11.971 ( -1.184 -2.791 -6.825) 7.468 11.971 ( -1.184 2.791 -6.825) 7.468 12.473 ( 0.544 -3.451 7.159) 7.966 12.473 ( 0.544 3.451 7.159) 7.966 12.483 ( -0.520 -2.645 7.490) 7.960 12.483 ( -0.520 2.645 7.490) 7.960 13.287 ( 0.247 -12.622 0.816) 12.650 13.287 ( 0.247 12.622 0.816) 12.650 13.292 ( -0.240 -12.137 1.065) 12.186 13.292 ( -0.240 12.137 1.065) 12.186 ======================= Grid point 90 (33/80) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.000 0.000 24.527) 24.527 1.297 ( 0.000 0.000 30.873) 30.873 1.690 ( 0.000 0.000 2.743) 2.743 1.713 ( 0.000 0.000 19.108) 19.108 1.990 ( 0.000 0.000 36.646) 36.646 2.035 ( 0.000 0.000 4.049) 4.049 2.173 ( 0.000 0.000 23.578) 23.578 2.889 ( 0.000 0.000 -0.176) 0.176 2.972 ( 0.000 0.000 13.428) 13.428 2.983 ( 0.000 0.000 17.429) 17.429 3.043 ( 0.000 0.000 4.116) 4.116 3.245 ( 0.000 0.000 12.304) 12.304 3.340 ( 0.000 0.000 -3.215) 3.215 3.390 ( 0.000 0.000 -8.086) 8.086 3.621 ( 0.000 0.000 -2.802) 2.802 3.628 ( 0.000 0.000 -9.705) 9.705 3.780 ( 0.000 0.000 -9.826) 9.826 3.835 ( 0.000 0.000 -2.389) 2.389 4.206 ( 0.000 0.000 -0.408) 0.408 4.404 ( 0.000 0.000 5.699) 5.699 4.562 ( 0.000 0.000 -4.356) 4.356 4.982 ( 0.000 0.000 0.889) 0.889 5.105 ( 0.000 0.000 -0.787) 0.787 5.387 ( 0.000 0.000 -1.814) 1.814 7.197 ( 0.000 0.000 2.306) 2.306 7.376 ( 0.000 0.000 2.680) 2.680 7.718 ( 0.000 0.000 -4.655) 4.655 7.783 ( 0.000 0.000 -3.668) 3.668 8.045 ( 0.000 0.000 -10.173) 10.173 8.542 ( 0.000 0.000 -13.567) 13.567 8.692 ( 0.000 0.000 7.611) 7.611 8.850 ( 0.000 0.000 2.981) 2.981 8.856 ( 0.000 0.000 3.052) 3.052 9.164 ( 0.000 0.000 -1.247) 1.247 9.167 ( 0.000 0.000 -1.149) 1.149 9.272 ( 0.000 0.000 -5.629) 5.629 9.476 ( 0.000 0.000 -1.154) 1.154 9.860 ( 0.000 0.000 1.494) 1.494 9.892 ( 0.000 0.000 6.698) 6.698 9.911 ( 0.000 0.000 -4.748) 4.748 10.009 ( 0.000 0.000 -2.144) 2.144 10.073 ( 0.000 0.000 -2.583) 2.583 10.087 ( 0.000 0.000 1.785) 1.785 10.135 ( 0.000 0.000 1.993) 1.993 10.136 ( 0.000 0.000 -1.802) 1.802 10.152 ( 0.000 0.000 -1.437) 1.437 10.162 ( 0.000 0.000 0.234) 0.234 10.396 ( 0.000 0.000 -2.105) 2.105 10.499 ( 0.000 0.000 -4.870) 4.870 10.511 ( 0.000 0.000 2.267) 2.267 10.528 ( 0.000 0.000 -6.392) 6.392 10.660 ( 0.000 0.000 7.282) 7.282 10.666 ( 0.000 0.000 2.827) 2.827 10.742 ( 0.000 0.000 -2.102) 2.102 10.848 ( 0.000 0.000 -2.758) 2.758 10.930 ( 0.000 0.000 5.367) 5.367 11.550 ( 0.000 0.000 5.293) 5.293 11.560 ( 0.000 0.000 1.074) 1.074 11.572 ( 0.000 0.000 1.769) 1.769 11.593 ( 0.000 0.000 9.668) 9.668 11.614 ( 0.000 0.000 5.355) 5.355 11.625 ( 0.000 0.000 9.370) 9.370 11.673 ( 0.000 0.000 14.696) 14.696 11.687 ( 0.000 0.000 11.701) 11.701 12.153 ( 0.000 0.000 1.826) 1.826 12.351 ( 0.000 0.000 2.268) 2.268 12.354 ( 0.000 0.000 2.711) 2.711 12.409 ( 0.000 0.000 4.704) 4.704 12.897 ( 0.000 0.000 0.049) 0.049 13.063 ( 0.000 0.000 -3.200) 3.200 14.163 ( 0.000 0.000 -11.399) 11.399 14.249 ( 0.000 0.000 -12.504) 12.504 ======================= Grid point 91 (34/80) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 14.716 0.000 21.905) 26.389 1.329 ( 5.306 0.000 26.701) 27.223 1.443 ( -20.780 0.000 18.153) 27.592 1.502 ( -14.301 0.000 15.206) 20.875 2.176 ( 19.684 0.000 33.853) 39.160 2.307 ( 21.301 0.000 5.776) 22.070 2.433 ( 23.024 0.000 13.858) 26.873 2.575 ( -25.539 0.000 26.173) 36.569 2.654 ( -19.044 0.000 3.793) 19.418 2.835 ( -22.943 0.000 6.037) 23.724 3.204 ( 10.405 0.000 -0.747) 10.431 3.342 ( -5.673 0.000 -5.402) 7.833 3.390 ( 16.364 0.000 8.946) 18.650 3.562 ( 5.609 0.000 0.835) 5.671 3.623 ( 0.251 0.000 -5.185) 5.191 3.627 ( -0.143 0.000 -8.398) 8.399 3.696 ( -1.657 0.000 -5.193) 5.451 3.810 ( -5.493 0.000 -5.406) 7.706 4.247 ( 4.472 0.000 -0.071) 4.473 4.338 ( -5.734 0.000 1.879) 6.034 4.648 ( 8.432 0.000 -0.750) 8.466 4.822 ( -11.670 0.000 0.825) 11.699 5.236 ( 8.574 0.000 -1.063) 8.640 5.349 ( -4.554 0.000 -1.610) 4.831 7.242 ( 4.740 0.000 1.723) 5.043 7.330 ( -4.858 0.000 2.035) 5.267 7.723 ( 0.803 0.000 -4.841) 4.907 7.750 ( -2.346 0.000 -4.583) 5.149 8.159 ( 11.156 0.000 -8.079) 13.774 8.370 ( -13.020 0.000 -7.082) 14.821 8.851 ( 0.188 0.000 2.999) 3.004 8.855 ( -0.187 0.000 3.034) 3.040 8.873 ( 14.152 0.000 -0.355) 14.156 9.115 ( -13.762 0.000 -3.341) 14.162 9.165 ( 0.082 0.000 -1.224) 1.226 9.167 ( -0.081 0.000 -1.175) 1.177 9.581 ( 8.756 0.000 0.212) 8.758 9.738 ( -9.471 0.000 2.742) 9.860 9.922 ( 1.030 0.000 -3.431) 3.582 9.927 ( 0.941 0.000 0.358) 1.007 10.022 ( 1.458 0.000 -2.218) 2.655 10.053 ( -1.884 0.000 -2.433) 3.077 10.085 ( 0.275 0.000 1.915) 1.934 10.104 ( -1.768 0.000 1.175) 2.122 10.145 ( 0.854 0.000 -1.300) 1.555 10.158 ( -0.503 0.000 -0.366) 0.622 10.254 ( 7.845 0.000 -0.101) 7.845 10.362 ( -4.261 0.000 -1.525) 4.526 10.505 ( 0.711 0.000 -5.165) 5.214 10.520 ( -0.878 0.000 -5.883) 5.948 10.522 ( 1.477 0.000 3.018) 3.360 10.569 ( -4.170 0.000 4.687) 6.273 10.769 ( 2.872 0.000 -2.370) 3.724 10.788 ( 7.374 0.000 4.772) 8.783 10.822 ( -2.787 0.000 -2.664) 3.855 10.892 ( -4.433 0.000 5.104) 6.760 11.559 ( 0.559 0.000 2.963) 3.015 11.563 ( 0.166 0.000 2.002) 2.009 11.575 ( 0.911 0.000 3.341) 3.463 11.599 ( 0.763 0.000 9.869) 9.898 11.600 ( -1.480 0.000 5.170) 5.378 11.616 ( -1.025 0.000 9.759) 9.812 11.669 ( -0.079 0.000 13.938) 13.938 11.677 ( -0.869 0.000 12.673) 12.703 12.197 ( 4.634 0.000 1.896) 5.007 12.285 ( -5.060 0.000 1.840) 5.384 12.384 ( 1.311 0.000 3.805) 4.025 12.402 ( -0.781 0.000 4.539) 4.606 12.939 ( 4.451 0.000 -0.839) 4.529 13.022 ( -4.419 0.000 -2.388) 5.023 14.186 ( 2.404 0.000 -11.707) 11.951 14.229 ( -2.182 0.000 -12.259) 12.452 ======================= Grid point 93 (35/80) ======================= q-point: ( 0.00 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 28.847 18.482) 34.260 1.447 ( 0.000 14.131 26.789) 30.287 1.697 ( 0.000 4.352 5.843) 7.286 1.853 ( 0.000 12.550 17.360) 21.421 2.120 ( 0.000 15.173 31.689) 35.134 2.236 ( 0.000 15.827 4.756) 16.526 2.258 ( 0.000 8.262 24.487) 25.844 3.004 ( 0.000 3.831 9.036) 9.815 3.009 ( 0.000 11.543 2.449) 11.800 3.115 ( 0.000 12.951 13.120) 18.435 3.136 ( 0.000 7.884 6.011) 9.914 3.289 ( 0.000 5.895 7.737) 9.726 3.381 ( 0.000 4.492 -3.745) 5.848 3.539 ( 0.000 13.912 -6.326) 15.283 3.723 ( 0.000 8.137 -4.159) 9.138 3.733 ( 0.000 9.427 -6.078) 11.216 3.824 ( 0.000 6.039 -7.551) 9.668 3.921 ( 0.000 9.239 -4.395) 10.231 4.227 ( 0.000 2.318 -0.190) 2.326 4.413 ( 0.000 1.031 5.467) 5.563 4.570 ( 0.000 0.924 -3.699) 3.813 4.990 ( 0.000 0.803 1.044) 1.317 5.098 ( 0.000 -0.590 -0.818) 1.009 5.382 ( 0.000 -0.441 -1.567) 1.628 7.240 ( 0.000 4.282 2.160) 4.796 7.394 ( 0.000 1.888 2.818) 3.392 7.746 ( 0.000 2.588 -4.516) 5.205 7.795 ( 0.000 1.175 -3.305) 3.507 8.080 ( 0.000 3.554 -9.782) 10.408 8.538 ( 0.000 -0.372 -12.938) 12.943 8.664 ( 0.000 -2.157 6.849) 7.180 8.821 ( 0.000 -2.625 2.463) 3.600 8.870 ( 0.000 0.624 2.963) 3.028 9.166 ( 0.000 -0.211 -1.724) 1.737 9.174 ( 0.000 -0.104 -1.069) 1.074 9.256 ( 0.000 -2.023 -4.992) 5.387 9.359 ( 0.000 -8.504 0.626) 8.527 9.787 ( 0.000 -6.956 0.975) 7.024 9.838 ( 0.000 -4.362 7.102) 8.334 9.841 ( 0.000 -5.527 -3.406) 6.493 9.983 ( 0.000 -2.890 -1.117) 3.098 10.007 ( 0.000 -6.737 2.208) 7.090 10.065 ( 0.000 -5.451 2.936) 6.192 10.101 ( 0.000 2.604 -2.667) 3.727 10.162 ( 0.000 -0.344 0.017) 0.344 10.165 ( 0.000 1.460 -1.261) 1.929 10.202 ( 0.000 4.032 -2.129) 4.560 10.359 ( 0.000 -3.307 -1.541) 3.648 10.412 ( 0.000 -7.193 1.449) 7.338 10.459 ( 0.000 -1.258 0.735) 1.457 10.643 ( 0.000 -1.427 2.547) 2.920 10.645 ( 0.000 8.004 -3.982) 8.940 10.766 ( 0.000 7.422 -1.363) 7.546 10.792 ( 0.000 -2.747 1.600) 3.179 10.843 ( 0.000 5.532 -3.925) 6.783 10.970 ( 0.000 3.767 0.436) 3.792 11.478 ( 0.000 -4.654 2.905) 5.486 11.498 ( 0.000 -4.278 2.411) 4.910 11.539 ( 0.000 -0.979 4.670) 4.772 11.597 ( 0.000 -1.742 4.397) 4.729 11.677 ( 0.000 0.434 12.182) 12.189 11.684 ( 0.000 5.094 7.787) 9.305 11.711 ( 0.000 5.691 8.015) 9.830 11.714 ( 0.000 3.095 14.984) 15.300 12.173 ( 0.000 2.012 2.164) 2.955 12.360 ( 0.000 0.987 2.710) 2.884 12.365 ( 0.000 0.955 2.348) 2.535 12.415 ( 0.000 0.481 4.141) 4.169 12.927 ( 0.000 2.886 0.867) 3.014 13.086 ( 0.000 2.249 -2.096) 3.074 14.154 ( 0.000 -0.951 -11.180) 11.221 14.233 ( 0.000 -1.628 -12.203) 12.311 ======================= Grid point 94 (36/80) ======================= q-point: ( 0.33 0.07 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 1.859 18.666 23.455) 30.034 1.495 ( -8.471 11.578 17.845) 22.897 1.533 ( 5.983 17.463 19.749) 27.032 1.746 ( -14.097 17.681 14.536) 26.882 2.309 ( 19.099 14.344 28.147) 36.916 2.362 ( 20.600 6.215 10.043) 23.745 2.551 ( 18.899 10.794 11.606) 24.665 2.687 ( -21.224 10.863 18.014) 29.883 2.750 ( -22.013 8.959 9.526) 25.605 2.911 ( -19.944 8.377 4.890) 22.178 3.312 ( 11.085 10.086 -0.002) 14.987 3.414 ( 5.756 7.370 1.929) 9.548 3.508 ( 2.505 11.006 -1.012) 11.332 3.594 ( 7.117 3.753 -1.019) 8.111 3.686 ( -3.289 6.316 -6.260) 9.481 3.720 ( -1.167 8.041 -6.204) 10.222 3.816 ( 1.325 11.304 -5.026) 12.442 3.885 ( -4.486 9.058 -3.858) 10.819 4.265 ( 4.142 2.021 -0.036) 4.609 4.350 ( -5.400 1.365 1.844) 5.867 4.657 ( 8.468 0.933 -0.422) 8.530 4.830 ( -11.540 0.806 0.920) 11.605 5.231 ( 8.538 -0.455 -0.945) 8.603 5.343 ( -4.587 -0.476 -1.399) 4.819 7.278 ( 4.029 3.634 1.841) 5.730 7.354 ( -4.207 2.482 2.217) 5.364 7.750 ( 0.629 2.459 -4.623) 5.274 7.771 ( -1.827 1.922 -4.215) 4.980 8.183 ( 10.322 2.467 -7.869) 13.212 8.380 ( -12.172 1.071 -6.867) 14.016 8.775 ( 5.378 -4.532 1.196) 7.134 8.817 ( -0.838 -3.196 2.284) 4.017 8.917 ( 7.026 0.900 1.191) 7.183 9.087 ( -11.064 -3.105 -2.156) 11.692 9.171 ( 0.359 0.268 -1.447) 1.515 9.181 ( -0.993 1.088 -1.544) 2.134 9.498 ( 10.048 -6.687 0.329) 12.074 9.665 ( -9.538 -6.312 2.642) 11.738 9.855 ( 1.907 -5.287 -2.697) 6.234 9.879 ( 0.142 -4.196 1.247) 4.380 9.981 ( 0.479 -3.992 -0.152) 4.023 10.001 ( -1.197 -5.267 0.620) 5.437 10.086 ( 2.846 -2.641 2.489) 4.612 10.119 ( 0.707 1.463 -0.175) 1.634 10.144 ( -1.149 -0.263 0.079) 1.181 10.155 ( -1.745 -1.378 0.661) 2.319 10.234 ( 3.882 1.306 -2.798) 4.960 10.309 ( -4.366 -3.433 -1.929) 5.880 10.436 ( 1.426 -3.943 1.094) 4.334 10.453 ( -0.652 -1.901 0.896) 2.200 10.651 ( 1.660 5.169 -1.750) 5.704 10.673 ( 0.454 4.019 -1.569) 4.338 10.752 ( 0.506 2.161 0.121) 2.223 10.784 ( -1.803 -2.200 0.763) 2.945 10.875 ( 3.525 6.176 -2.310) 7.477 10.939 ( -3.365 4.444 -0.273) 5.581 11.482 ( 0.481 -4.588 2.889) 5.443 11.492 ( -0.569 -4.386 2.675) 5.169 11.556 ( 1.677 -1.161 4.442) 4.888 11.584 ( -1.369 -1.530 4.347) 4.807 11.672 ( -0.130 1.933 11.627) 11.788 11.678 ( -0.642 3.605 10.771) 11.377 11.709 ( 0.083 4.593 10.096) 11.091 11.713 ( -0.206 4.598 10.762) 11.705 12.214 ( 4.334 1.734 2.270) 5.191 12.297 ( -4.846 1.293 2.196) 5.475 12.393 ( 1.220 0.741 3.441) 3.725 12.409 ( -0.681 0.567 3.990) 4.087 12.968 ( 4.304 2.773 0.025) 5.120 13.047 ( -4.176 2.466 -1.411) 5.051 14.175 ( 2.202 -1.139 -11.462) 11.727 14.214 ( -2.009 -1.476 -11.972) 12.229 ======================= Grid point 96 (37/80) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 0.000 20.041 14.814) 24.921 1.854 ( 0.000 18.300 20.572) 27.534 1.941 ( 0.000 20.341 12.805) 24.035 2.160 ( 0.000 18.001 13.868) 22.723 2.470 ( 0.000 12.925 25.873) 28.922 2.555 ( 0.000 15.066 9.758) 17.950 2.690 ( 0.000 39.034 15.139) 41.867 3.122 ( 0.000 7.434 3.231) 8.106 3.269 ( 0.000 11.550 4.338) 12.338 3.310 ( 0.000 9.012 5.544) 10.581 3.490 ( 0.000 23.560 5.277) 24.144 3.528 ( 0.000 18.036 2.271) 18.178 3.554 ( 0.000 13.681 -3.388) 14.094 3.848 ( 0.000 6.390 -7.670) 9.983 3.904 ( 0.000 21.526 -5.021) 22.104 3.989 ( 0.000 16.710 -3.867) 17.152 4.086 ( 0.000 16.930 0.324) 16.933 4.198 ( 0.000 16.963 -6.152) 18.044 4.317 ( 0.000 7.310 0.120) 7.311 4.466 ( 0.000 5.588 3.983) 6.862 4.612 ( 0.000 3.969 -1.774) 4.348 5.016 ( 0.000 1.930 1.719) 2.585 5.087 ( 0.000 -0.434 -0.920) 1.018 5.371 ( 0.000 -0.659 -0.833) 1.062 7.362 ( 0.000 7.702 1.689) 7.885 7.453 ( 0.000 3.851 2.328) 4.500 7.805 ( 0.000 2.682 -4.185) 4.971 7.824 ( 0.000 1.519 -2.410) 2.849 8.183 ( 0.000 6.471 -9.528) 11.518 8.523 ( 0.000 -1.454 -11.508) 11.600 8.627 ( 0.000 -1.303 4.169) 4.368 8.751 ( 0.000 -4.451 0.520) 4.482 8.851 ( 0.000 -3.062 2.845) 4.180 9.060 ( 0.000 -9.886 0.530) 9.901 9.145 ( 0.000 -3.153 -3.797) 4.936 9.184 ( 0.000 -4.044 -2.829) 4.935 9.305 ( 0.000 2.632 0.341) 2.654 9.607 ( 0.000 -10.305 2.536) 10.612 9.726 ( 0.000 -5.441 -1.891) 5.760 9.758 ( 0.000 -3.035 7.194) 7.809 9.848 ( 0.000 -8.432 3.512) 9.134 9.923 ( 0.000 -2.744 0.233) 2.754 9.953 ( 0.000 -5.357 3.036) 6.157 10.064 ( 0.000 -9.486 6.733) 11.633 10.154 ( 0.000 2.240 -3.245) 3.944 10.193 ( 0.000 0.528 -1.284) 1.389 10.257 ( 0.000 -0.724 -4.511) 4.568 10.288 ( 0.000 -2.914 -0.430) 2.945 10.353 ( 0.000 3.410 0.509) 3.447 10.459 ( 0.000 1.473 1.064) 1.817 10.617 ( 0.000 -1.256 3.148) 3.390 10.692 ( 0.000 -4.991 2.315) 5.502 10.788 ( 0.000 5.849 -4.993) 7.691 10.899 ( 0.000 5.293 -4.523) 6.963 10.987 ( 0.000 7.076 -5.684) 9.076 11.061 ( 0.000 4.977 -3.638) 6.165 11.391 ( 0.000 -4.149 1.682) 4.477 11.410 ( 0.000 -4.448 1.216) 4.611 11.511 ( 0.000 -1.796 2.586) 3.148 11.550 ( 0.000 -2.658 2.826) 3.880 11.714 ( 0.000 3.522 12.217) 12.715 11.786 ( 0.000 4.853 7.708) 9.108 11.804 ( 0.000 5.613 13.788) 14.886 11.817 ( 0.000 4.457 6.956) 8.261 12.233 ( 0.000 3.904 3.489) 5.236 12.384 ( 0.000 0.764 1.556) 1.733 12.397 ( 0.000 2.835 4.317) 5.165 12.422 ( 0.000 0.071 2.748) 2.749 13.004 ( 0.000 4.515 2.548) 5.184 13.147 ( 0.000 3.574 0.209) 3.580 14.121 ( 0.000 -2.436 -10.535) 10.813 14.182 ( 0.000 -3.544 -11.337) 11.878 ======================= Grid point 97 (38/80) ======================= q-point: ( 0.33 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -0.638 21.577 16.880) 27.403 1.828 ( -6.113 21.008 17.927) 28.286 1.935 ( 7.425 20.347 18.767) 28.659 2.106 ( -10.575 18.019 14.785) 25.595 2.523 ( 15.770 11.287 15.549) 24.856 2.762 ( 12.930 18.259 9.943) 24.483 2.855 ( -5.436 19.178 17.896) 26.788 2.893 ( 5.941 19.356 4.324) 20.703 3.059 ( -16.153 16.047 9.394) 24.631 3.210 ( -19.379 24.227 6.566) 31.712 3.546 ( 14.240 10.744 0.479) 17.845 3.643 ( 6.771 14.462 -0.948) 15.997 3.700 ( 4.308 11.658 -4.212) 13.123 3.759 ( -8.347 8.243 -4.604) 12.603 3.919 ( 1.124 19.049 -5.146) 19.764 3.956 ( -2.676 17.045 -4.075) 17.728 4.120 ( 3.116 17.536 -0.848) 17.831 4.173 ( -2.730 17.510 -3.080) 17.987 4.347 ( 3.273 7.104 -0.576) 7.843 4.414 ( -4.356 6.306 0.972) 7.726 4.695 ( 8.108 3.407 0.517) 8.810 4.859 ( -10.788 2.324 1.279) 11.110 5.221 ( 8.280 -0.381 -0.511) 8.304 5.332 ( -4.576 -0.627 -0.754) 4.680 7.384 ( 2.391 6.806 1.661) 7.402 7.429 ( -2.506 4.911 1.986) 5.860 7.806 ( 0.202 2.564 -4.034) 4.784 7.815 ( -0.767 2.032 -3.306) 3.956 8.258 ( 7.876 4.875 -8.098) 12.303 8.412 ( -9.339 1.869 -7.259) 11.975 8.688 ( 3.963 -4.074 0.102) 5.684 8.737 ( -1.792 -4.733 0.384) 5.076 8.887 ( 4.181 -3.936 1.356) 5.900 8.981 ( -6.392 -7.123 -0.574) 9.587 9.163 ( 1.023 -1.833 -2.261) 3.085 9.178 ( -0.687 -2.368 -2.174) 3.287 9.389 ( 7.916 -2.612 0.871) 8.381 9.526 ( -7.567 -6.910 2.614) 10.576 9.745 ( 2.249 -5.502 -1.087) 6.043 9.780 ( -0.683 -5.293 1.767) 5.622 9.860 ( 2.660 -7.247 5.019) 9.208 9.907 ( -1.932 -4.137 1.763) 4.894 9.970 ( 2.122 -5.999 4.066) 7.551 10.025 ( -3.813 -8.337 6.408) 11.186 10.167 ( 1.238 2.192 -2.523) 3.564 10.185 ( -0.777 1.580 -1.561) 2.353 10.259 ( 0.353 -1.070 -3.893) 4.053 10.272 ( -1.132 -1.382 -2.481) 3.057 10.393 ( 3.375 1.199 1.280) 3.803 10.441 ( -2.042 1.122 1.256) 2.647 10.634 ( 1.851 -1.986 2.814) 3.911 10.670 ( -2.093 -3.700 2.343) 4.854 10.817 ( 2.950 5.257 -4.674) 7.628 10.870 ( -2.890 5.198 -4.580) 7.507 11.009 ( 2.089 6.575 -5.165) 8.618 11.044 ( -1.838 5.570 -4.192) 7.209 11.394 ( 0.369 -4.280 1.680) 4.613 11.403 ( -0.598 -4.442 1.482) 4.721 11.523 ( 1.186 -2.047 2.538) 3.470 11.542 ( -0.900 -2.472 2.703) 3.772 11.729 ( 1.655 4.186 12.231) 13.033 11.763 ( -2.113 5.047 11.382) 12.629 11.809 ( 0.375 4.958 9.339) 10.580 11.814 ( -0.258 4.545 7.494) 8.768 12.268 ( 3.769 3.689 3.678) 6.430 12.340 ( -4.055 3.003 3.360) 6.063 12.408 ( 0.668 0.646 2.860) 3.007 12.418 ( -0.477 0.207 2.670) 2.720 13.042 ( 3.947 4.302 1.890) 6.137 13.113 ( -3.702 3.837 0.741) 5.383 14.137 ( 1.681 -2.734 -10.752) 11.221 14.167 ( -1.544 -3.287 -11.151) 11.728 ======================= Grid point 99 (39/80) ======================= q-point: ( 0.00 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.000 18.405 17.862) 25.647 2.243 ( 0.000 24.042 6.937) 25.023 2.445 ( 0.000 28.149 14.000) 31.438 2.566 ( 0.000 22.254 10.893) 24.777 2.759 ( 0.000 16.033 22.477) 27.610 2.843 ( 0.000 14.362 12.029) 18.734 3.295 ( 0.000 10.115 1.014) 10.166 3.458 ( 0.000 10.047 -0.611) 10.066 3.480 ( 0.000 8.178 4.077) 9.138 3.520 ( 0.000 38.794 9.318) 39.898 3.859 ( 0.000 13.460 -3.690) 13.957 3.885 ( 0.000 13.648 -2.690) 13.911 3.968 ( 0.000 23.868 -3.455) 24.117 4.109 ( 0.000 20.053 -0.218) 20.054 4.353 ( 0.000 22.320 -3.876) 22.654 4.387 ( 0.000 14.777 5.634) 15.814 4.393 ( 0.000 22.517 -4.558) 22.974 4.504 ( 0.000 11.799 -4.504) 12.629 4.540 ( 0.000 15.222 1.329) 15.279 4.725 ( 0.000 20.575 -0.099) 20.575 4.779 ( 0.000 13.677 -0.487) 13.686 5.079 ( 0.000 4.952 3.087) 5.836 5.087 ( 0.000 0.706 -0.946) 1.181 5.360 ( 0.000 -0.103 0.763) 0.770 7.530 ( 0.000 3.218 0.506) 3.258 7.537 ( 0.000 9.495 0.771) 9.527 7.818 ( 0.000 -2.269 -3.611) 4.265 7.844 ( 0.000 0.193 -1.575) 1.586 8.317 ( 0.000 6.041 -9.855) 11.559 8.454 ( 0.000 -6.392 -10.045) 11.906 8.614 ( 0.000 -0.506 -3.059) 3.101 8.632 ( 0.000 -7.771 -4.004) 8.741 8.750 ( 0.000 -5.831 3.987) 7.064 8.887 ( 0.000 -6.329 2.679) 6.873 9.035 ( 0.000 -5.845 -1.700) 6.088 9.106 ( 0.000 -5.583 -2.231) 6.012 9.378 ( 0.000 3.526 1.559) 3.855 9.433 ( 0.000 -5.336 3.227) 6.236 9.623 ( 0.000 -5.009 1.072) 5.122 9.679 ( 0.000 -6.259 1.861) 6.530 9.732 ( 0.000 -2.856 9.297) 9.726 9.835 ( 0.000 -6.525 6.424) 9.156 9.874 ( 0.000 -2.277 1.026) 2.497 9.894 ( 0.000 -4.050 6.651) 7.787 10.144 ( 0.000 -2.756 -1.298) 3.047 10.211 ( 0.000 1.878 -2.912) 3.465 10.213 ( 0.000 -2.877 -3.727) 4.708 10.254 ( 0.000 -1.423 -0.988) 1.733 10.456 ( 0.000 5.454 -2.092) 5.841 10.512 ( 0.000 3.389 -0.287) 3.401 10.587 ( 0.000 -0.843 2.592) 2.725 10.651 ( 0.000 0.581 2.204) 2.279 10.878 ( 0.000 3.394 -4.175) 5.380 10.970 ( 0.000 2.017 -3.748) 4.256 11.111 ( 0.000 5.371 -6.366) 8.329 11.159 ( 0.000 4.596 -6.391) 7.871 11.301 ( 0.000 -4.889 1.909) 5.249 11.330 ( 0.000 -3.408 0.167) 3.412 11.477 ( 0.000 -1.372 1.119) 1.771 11.503 ( 0.000 -1.803 1.472) 2.328 11.807 ( 0.000 5.323 9.954) 11.288 11.861 ( 0.000 2.265 5.285) 5.749 11.879 ( 0.000 1.810 4.527) 4.875 11.924 ( 0.000 6.056 10.823) 12.402 12.325 ( 0.000 5.115 5.737) 7.686 12.392 ( 0.000 0.051 0.612) 0.615 12.417 ( 0.000 -0.539 1.070) 1.198 12.473 ( 0.000 4.599 6.625) 8.064 13.094 ( 0.000 4.106 4.208) 5.879 13.213 ( 0.000 2.647 2.679) 3.766 14.051 ( 0.000 -4.779 -9.475) 10.612 14.088 ( 0.000 -5.969 -9.978) 11.627 ======================= Grid point 100 (40/80) ======================= q-point: ( 0.33 0.21 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 1.830 20.397 14.148) 24.891 2.246 ( 0.227 23.000 11.794) 25.848 2.416 ( -0.104 27.554 15.241) 31.489 2.498 ( -8.092 22.114 14.123) 27.458 2.801 ( 11.928 16.348 14.190) 24.716 3.046 ( 8.441 13.760 10.422) 19.215 3.072 ( -10.450 11.297 6.927) 16.877 3.303 ( -13.160 10.590 7.915) 18.654 3.598 ( 9.321 30.960 0.292) 32.334 3.705 ( 8.827 14.999 -0.112) 17.404 3.797 ( -3.925 21.126 -0.259) 21.489 3.901 ( -1.062 15.486 -2.432) 15.712 3.961 ( 0.482 16.081 -2.444) 16.273 4.036 ( -6.139 15.510 -1.013) 16.712 4.357 ( 0.199 22.599 -3.343) 22.846 4.362 ( -0.615 21.419 -2.983) 21.635 4.446 ( 3.389 16.596 1.497) 17.004 4.496 ( -2.125 15.294 0.955) 15.470 4.580 ( 5.156 14.446 -2.728) 15.579 4.670 ( -4.792 18.036 -2.054) 18.775 4.836 ( 5.045 12.382 1.141) 13.418 4.942 ( -7.581 6.960 1.645) 10.422 5.223 ( 7.409 0.898 0.720) 7.498 5.323 ( -4.261 0.126 0.732) 4.325 7.533 ( 0.232 4.766 0.544) 4.802 7.536 ( -0.106 7.852 0.661) 7.880 7.822 ( 0.564 -1.488 -3.222) 3.594 7.835 ( -0.852 -0.215 -2.237) 2.403 8.353 ( 3.874 3.447 -9.472) 10.799 8.423 ( -3.528 -2.599 -9.529) 10.488 8.616 ( 0.276 -2.900 -3.315) 4.413 8.625 ( -0.675 -6.418 -3.686) 7.432 8.777 ( 3.007 -5.905 3.042) 7.291 8.841 ( -4.146 -5.904 2.284) 7.567 9.065 ( 2.412 -6.359 -1.480) 6.961 9.096 ( -1.168 -5.973 -1.941) 6.388 9.392 ( 1.526 1.342 2.117) 2.935 9.420 ( -1.413 -3.066 2.964) 4.492 9.637 ( 1.457 -5.270 1.236) 5.605 9.665 ( -1.538 -5.974 1.622) 6.378 9.755 ( 2.517 -3.420 8.877) 9.841 9.804 ( -2.906 -5.011 7.525) 9.497 9.882 ( 0.829 -2.889 2.385) 3.837 9.894 ( -0.369 -3.943 4.387) 5.910 10.162 ( 1.905 -2.783 -1.645) 3.753 10.197 ( -1.718 -2.003 -2.627) 3.724 10.221 ( 0.915 0.002 -2.979) 3.116 10.241 ( -1.247 -0.806 -1.810) 2.341 10.467 ( 1.263 4.698 -1.316) 5.040 10.494 ( -1.692 3.606 -0.406) 4.003 10.608 ( 1.984 -0.159 2.224) 2.985 10.639 ( -1.407 0.426 2.128) 2.586 10.900 ( 2.306 3.029 -4.031) 5.544 10.945 ( -2.569 2.387 -3.837) 5.198 11.126 ( 1.453 5.125 -6.410) 8.335 11.149 ( -1.084 4.838 -6.448) 8.134 11.305 ( 0.570 -4.586 1.597) 4.890 11.320 ( -0.965 -3.785 0.732) 3.974 11.485 ( 0.794 -1.506 1.198) 2.082 11.498 ( -0.590 -1.715 1.391) 2.286 11.828 ( 2.126 5.119 9.482) 10.984 11.857 ( -0.803 3.240 6.453) 7.265 11.881 ( 0.448 2.126 5.242) 5.674 11.902 ( -1.954 4.920 8.976) 10.421 12.356 ( 3.177 4.740 5.664) 8.040 12.392 ( -0.361 0.935 1.361) 1.690 12.415 ( 0.120 -0.105 1.720) 1.728 12.443 ( -2.928 3.814 5.669) 7.434 13.125 ( 3.318 3.719 3.803) 6.269 13.185 ( -3.063 2.998 3.044) 5.257 14.061 ( 1.025 -5.093 -9.608) 10.923 14.079 ( -0.939 -5.687 -9.860) 11.421 ======================= Grid point 102 (41/80) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.000 21.002 12.801) 24.596 2.735 ( 0.000 24.271 3.665) 24.546 3.004 ( 0.000 26.129 11.046) 28.368 3.025 ( 0.000 22.652 8.551) 24.213 3.111 ( 0.000 19.371 15.783) 24.987 3.149 ( 0.000 16.855 9.743) 19.469 3.526 ( 0.000 12.445 1.245) 12.507 3.642 ( 0.000 9.171 0.654) 9.194 3.656 ( 0.000 10.405 1.732) 10.548 3.976 ( 0.000 8.129 -3.167) 8.724 4.068 ( 0.000 8.573 2.592) 8.956 4.362 ( 0.000 17.735 -2.320) 17.886 4.365 ( 0.000 13.402 -5.477) 14.478 4.415 ( 0.000 25.761 4.635) 26.175 4.682 ( 0.000 6.831 -5.122) 8.538 4.774 ( 0.000 19.901 0.211) 19.902 4.815 ( 0.000 24.550 2.073) 24.638 4.841 ( 0.000 20.471 -4.328) 20.924 4.894 ( 0.000 17.688 1.547) 17.755 5.098 ( 0.000 16.868 0.036) 16.868 5.139 ( 0.000 6.251 -0.057) 6.251 5.180 ( 0.000 22.898 0.260) 22.900 5.213 ( 0.000 6.842 2.672) 7.345 5.419 ( 0.000 8.433 3.696) 9.207 7.552 ( 0.000 -1.678 -2.584) 3.081 7.708 ( 0.000 -8.153 -3.725) 8.964 7.720 ( 0.000 7.637 -0.946) 7.696 7.824 ( 0.000 -1.967 -1.981) 2.792 8.250 ( 0.000 -12.998 -9.219) 15.935 8.366 ( 0.000 -2.572 -9.470) 9.813 8.442 ( 0.000 -11.059 -7.196) 13.194 8.573 ( 0.000 -1.953 -6.342) 6.636 8.687 ( 0.000 -1.484 0.347) 1.524 8.841 ( 0.000 2.122 4.767) 5.218 8.902 ( 0.000 -7.606 2.737) 8.084 9.011 ( 0.000 -2.662 -2.034) 3.350 9.386 ( 0.000 -3.473 4.672) 5.822 9.401 ( 0.000 0.703 2.149) 2.261 9.533 ( 0.000 -3.340 3.217) 4.637 9.578 ( 0.000 -3.804 3.480) 5.156 9.667 ( 0.000 0.634 7.053) 7.082 9.817 ( 0.000 2.364 7.574) 7.935 9.833 ( 0.000 -1.491 1.300) 1.978 9.867 ( 0.000 0.710 6.441) 6.480 10.096 ( 0.000 -1.801 -0.196) 1.812 10.157 ( 0.000 -2.578 -2.990) 3.948 10.230 ( 0.000 -0.464 -1.441) 1.514 10.247 ( 0.000 1.433 -2.818) 3.161 10.548 ( 0.000 3.445 -3.833) 5.154 10.578 ( 0.000 2.973 -2.027) 3.598 10.597 ( 0.000 1.115 1.160) 1.609 10.673 ( 0.000 0.847 1.593) 1.804 10.933 ( 0.000 2.401 -2.596) 3.536 10.997 ( 0.000 1.160 -2.367) 2.636 11.177 ( 0.000 -1.205 -4.761) 4.911 11.224 ( 0.000 -1.676 1.477) 2.234 11.238 ( 0.000 3.742 -7.562) 8.437 11.294 ( 0.000 1.426 -1.134) 1.822 11.460 ( 0.000 -0.330 0.226) 0.400 11.482 ( 0.000 -0.303 0.333) 0.450 11.873 ( 0.000 -0.741 2.701) 2.801 11.893 ( 0.000 -0.321 2.652) 2.671 11.912 ( 0.000 4.888 7.705) 9.124 12.032 ( 0.000 4.368 8.152) 9.248 12.388 ( 0.000 -0.273 -1.456) 1.481 12.407 ( 0.000 -0.126 -0.797) 0.807 12.427 ( 0.000 4.877 7.556) 8.993 12.563 ( 0.000 3.949 7.869) 8.804 13.158 ( 0.000 2.285 5.777) 6.212 13.244 ( 0.000 0.415 4.985) 5.003 13.926 ( 0.000 -7.774 -7.957) 11.124 13.941 ( 0.000 -8.702 -8.157) 11.928 ======================= Grid point 103 (42/80) ======================= q-point: ( 0.33 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 3.646 20.961 11.346) 24.112 2.705 ( -3.672 22.158 6.853) 23.483 2.963 ( -0.665 25.808 11.347) 28.201 2.995 ( -3.308 26.397 10.955) 28.771 3.165 ( 8.330 19.776 9.520) 23.476 3.300 ( 9.696 12.601 7.845) 17.730 3.360 ( -10.619 16.580 5.573) 20.462 3.504 ( -10.357 9.886 5.605) 15.375 3.837 ( 10.010 8.387 -4.014) 13.662 3.957 ( -3.872 6.768 -5.223) 9.385 4.127 ( 7.010 9.129 3.682) 12.084 4.262 ( -7.798 8.462 0.567) 11.521 4.401 ( 2.239 26.817 -2.496) 27.026 4.430 ( -0.385 23.085 -2.249) 23.198 4.693 ( 1.540 10.798 -1.626) 11.027 4.732 ( -2.796 17.892 0.393) 18.114 4.839 ( 1.511 19.763 -1.124) 19.853 4.867 ( -1.154 20.600 1.473) 20.685 4.907 ( 5.179 18.251 -1.973) 19.074 5.019 ( -7.097 16.786 -0.470) 18.231 5.141 ( 0.791 11.700 -0.459) 11.736 5.156 ( -0.872 14.500 0.405) 14.531 5.307 ( 6.086 10.460 3.004) 12.469 5.389 ( -3.435 9.069 3.540) 10.323 7.576 ( 2.760 -1.516 -2.590) 4.077 7.638 ( -4.330 -1.306 -2.597) 5.215 7.777 ( 2.970 -0.019 -2.023) 3.594 7.813 ( -1.301 -1.381 -1.978) 2.741 8.266 ( 1.936 -11.566 -9.141) 14.868 8.315 ( -3.719 -7.792 -8.999) 12.471 8.500 ( 4.433 -6.450 -8.268) 11.385 8.561 ( -2.200 -2.895 -8.410) 9.163 8.708 ( 3.029 -1.395 3.320) 4.705 8.782 ( -4.931 -0.288 4.796) 6.885 8.942 ( 3.045 -4.874 1.439) 5.925 8.989 ( -2.298 -3.566 -0.848) 4.326 9.392 ( 0.506 -1.481 3.667) 3.987 9.399 ( -0.300 0.308 2.597) 2.632 9.545 ( 1.286 -3.684 3.230) 5.066 9.568 ( -1.156 -3.741 3.337) 5.145 9.704 ( 3.915 0.319 7.666) 8.613 9.776 ( -3.874 0.748 7.779) 8.722 9.847 ( 0.853 -0.229 2.518) 2.669 9.860 ( -0.707 0.331 4.292) 4.362 10.109 ( 1.454 -1.998 -0.408) 2.505 10.139 ( -1.741 -2.516 -1.631) 3.467 10.237 ( 0.570 0.355 -2.262) 2.359 10.244 ( -0.292 1.266 -2.810) 3.096 10.552 ( 0.478 3.401 -3.145) 4.657 10.564 ( -0.914 3.029 -2.189) 3.847 10.624 ( 2.180 1.031 0.934) 2.586 10.658 ( -1.645 0.825 1.358) 2.287 10.947 ( 1.549 2.048 -2.521) 3.599 10.979 ( -1.854 1.428 -2.409) 3.359 11.188 ( 1.272 -0.990 -4.639) 4.911 11.213 ( -1.347 -1.114 -3.336) 3.766 11.251 ( 1.605 2.742 -2.651) 4.138 11.280 ( -1.500 1.789 -1.283) 2.664 11.467 ( 0.676 -0.333 0.276) 0.803 11.478 ( -0.506 -0.311 0.329) 0.679 11.875 ( 0.393 -0.409 3.009) 3.062 11.885 ( -0.719 -0.266 2.912) 3.011 11.944 ( 3.180 4.428 7.266) 9.083 12.002 ( -3.149 4.406 7.710) 9.422 12.390 ( 0.379 -0.216 -0.788) 0.901 12.399 ( -0.593 -0.132 -0.510) 0.793 12.467 ( 3.758 4.582 7.037) 9.200 12.532 ( -3.347 4.249 7.637) 9.358 13.181 ( 2.371 1.772 5.583) 6.320 13.224 ( -2.203 0.847 5.188) 5.699 13.930 ( 0.423 -8.018 -8.009) 11.341 13.938 ( -0.377 -8.481 -8.110) 11.740 ======================= Grid point 105 (43/80) ======================= q-point: ( 0.00 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 0.000 21.073 7.750) 22.453 3.172 ( 0.000 18.816 2.021) 18.925 3.421 ( 0.000 17.074 8.093) 18.895 3.426 ( 0.000 17.438 7.227) 18.876 3.513 ( 0.000 16.809 4.864) 17.499 3.524 ( 0.000 19.970 5.642) 20.751 3.728 ( 0.000 7.117 1.199) 7.217 3.804 ( 0.000 6.106 -0.443) 6.122 3.968 ( 0.000 20.921 1.139) 20.952 4.101 ( 0.000 5.799 -0.944) 5.875 4.217 ( 0.000 7.193 7.581) 10.451 4.529 ( 0.000 4.912 -1.389) 5.105 4.535 ( 0.000 7.160 0.983) 7.227 4.734 ( 0.000 -1.023 -1.460) 1.783 4.939 ( 0.000 11.488 -2.338) 11.723 4.988 ( 0.000 -1.403 -2.029) 2.466 5.145 ( 0.000 18.266 1.066) 18.297 5.242 ( 0.000 20.353 -0.626) 20.362 5.294 ( 0.000 19.947 2.390) 20.089 5.389 ( 0.000 14.282 0.143) 14.283 5.405 ( 0.000 16.842 0.653) 16.854 5.457 ( 0.000 15.800 2.407) 15.982 5.587 ( 0.000 16.895 1.013) 16.926 5.656 ( 0.000 12.109 2.710) 12.408 7.460 ( 0.000 -6.839 -5.167) 8.572 7.538 ( 0.000 -7.655 -5.833) 9.624 7.699 ( 0.000 -7.320 -4.118) 8.398 7.797 ( 0.000 -7.618 -7.142) 10.442 8.067 ( 0.000 -1.228 -6.120) 6.242 8.233 ( 0.000 -7.260 -6.018) 9.430 8.247 ( 0.000 -7.417 -7.567) 10.596 8.570 ( 0.000 0.911 -6.040) 6.109 8.626 ( 0.000 -5.174 -1.090) 5.287 8.769 ( 0.000 -5.670 3.204) 6.513 8.932 ( 0.000 5.448 1.686) 5.703 8.963 ( 0.000 -2.519 0.016) 2.519 9.324 ( 0.000 -0.917 4.644) 4.733 9.417 ( 0.000 1.185 1.914) 2.251 9.513 ( 0.000 0.541 3.161) 3.207 9.527 ( 0.000 -1.294 5.226) 5.383 9.743 ( 0.000 5.244 6.648) 8.468 9.830 ( 0.000 1.349 1.572) 2.072 9.875 ( 0.000 3.080 8.386) 8.934 9.914 ( 0.000 3.817 5.582) 6.763 10.070 ( 0.000 -1.023 1.142) 1.534 10.116 ( 0.000 -1.459 -1.631) 2.188 10.237 ( 0.000 0.834 -0.978) 1.285 10.258 ( 0.000 -0.622 -0.885) 1.081 10.584 ( 0.000 0.380 -5.683) 5.696 10.600 ( 0.000 -1.183 -1.082) 1.603 10.627 ( 0.000 1.627 -3.858) 4.187 10.665 ( 0.000 -1.763 -0.202) 1.775 10.985 ( 0.000 2.942 -1.413) 3.264 11.031 ( 0.000 2.432 -1.635) 2.930 11.138 ( 0.000 -0.735 -0.012) 0.735 11.191 ( 0.000 -1.334 -0.443) 1.406 11.328 ( 0.000 4.719 -6.285) 7.859 11.362 ( 0.000 3.873 -5.143) 6.439 11.459 ( 0.000 0.075 -0.666) 0.670 11.485 ( 0.000 0.386 -0.428) 0.577 11.847 ( 0.000 -1.352 1.894) 2.327 11.876 ( 0.000 -0.998 1.723) 1.992 11.985 ( 0.000 1.884 6.577) 6.842 12.075 ( 0.000 -0.508 6.371) 6.391 12.398 ( 0.000 1.814 -3.768) 4.182 12.434 ( 0.000 3.298 -3.101) 4.527 12.512 ( 0.000 3.496 8.031) 8.759 12.619 ( 0.000 1.511 7.654) 7.802 13.187 ( 0.000 0.881 7.116) 7.170 13.236 ( 0.000 -0.773 6.742) 6.786 13.741 ( 0.000 -10.618 -5.730) 12.066 13.744 ( 0.000 -10.771 -5.792) 12.229 ======================= Grid point 106 (44/80) ======================= q-point: ( 0.33 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 3.090 20.585 6.901) 21.930 3.123 ( -4.497 19.417 4.405) 20.412 3.418 ( 1.052 18.971 7.157) 20.303 3.443 ( -1.044 17.012 6.386) 18.201 3.558 ( 6.265 14.458 3.627) 16.169 3.573 ( 4.452 17.758 5.019) 18.983 3.678 ( -4.659 10.803 3.107) 12.168 3.711 ( -8.015 12.854 2.630) 15.375 4.025 ( 4.420 11.579 -1.019) 12.436 4.084 ( -2.269 6.785 -1.211) 7.256 4.283 ( 6.877 7.702 5.966) 11.925 4.413 ( -7.758 7.131 2.594) 10.852 4.625 ( 4.845 4.519 -1.778) 6.859 4.698 ( -3.632 1.792 -1.942) 4.492 4.962 ( 1.846 5.946 -2.244) 6.618 4.983 ( -0.629 0.250 -2.112) 2.218 5.164 ( 2.268 19.997 1.603) 20.189 5.213 ( -2.966 20.837 1.550) 21.104 5.313 ( 1.999 18.949 0.004) 19.054 5.355 ( -2.747 16.690 -0.237) 16.916 5.425 ( 1.516 16.080 1.085) 16.188 5.448 ( -1.052 15.928 1.981) 16.085 5.609 ( 2.145 15.032 1.713) 15.280 5.643 ( -1.510 12.859 2.467) 13.180 7.476 ( 1.770 -7.156 -5.213) 9.029 7.513 ( -2.330 -7.613 -5.469) 9.659 7.728 ( 2.830 -6.917 -4.984) 8.983 7.776 ( -2.375 -6.951 -6.387) 9.734 8.082 ( 2.469 -3.871 -6.248) 7.754 8.152 ( -5.227 -4.996 -6.260) 9.564 8.354 ( 8.407 -7.623 -7.763) 13.750 8.502 ( -7.947 -3.700 -8.747) 12.384 8.666 ( 5.094 -2.498 3.419) 6.624 8.748 ( -3.331 -2.314 4.258) 5.881 8.938 ( 0.621 2.753 0.027) 2.822 8.951 ( -0.917 -1.107 -0.852) 1.671 9.362 ( 3.491 -0.761 3.761) 5.188 9.408 ( -1.456 0.699 2.422) 2.911 9.508 ( 0.128 -0.270 4.020) 4.031 9.521 ( -0.841 -0.522 4.620) 4.725 9.763 ( 2.238 4.532 6.714) 8.404 9.809 ( -2.633 2.726 5.167) 6.408 9.876 ( 0.842 2.529 5.343) 5.971 9.900 ( -1.513 3.258 4.650) 5.876 10.083 ( 1.142 -0.881 0.776) 1.638 10.103 ( -1.186 -1.124 -0.576) 1.733 10.249 ( 0.972 0.483 -1.212) 1.627 10.259 ( -0.144 -0.136 -1.009) 1.029 10.590 ( 0.603 0.400 -5.018) 5.070 10.599 ( -0.316 -0.128 -2.973) 2.992 10.632 ( 0.867 0.024 -2.177) 2.343 10.653 ( -1.263 -1.433 -0.593) 2.000 10.994 ( 1.041 2.864 -1.355) 3.335 11.016 ( -1.392 2.613 -1.424) 3.285 11.153 ( 1.451 -0.874 -0.352) 1.730 11.178 ( -1.325 -1.181 -0.555) 1.859 11.337 ( 0.954 4.520 -5.855) 7.458 11.354 ( -0.876 4.091 -5.321) 6.769 11.467 ( 0.782 0.145 -0.569) 0.978 11.480 ( -0.618 0.306 -0.455) 0.826 11.853 ( 0.637 -1.244 1.903) 2.361 11.867 ( -0.891 -1.078 1.818) 2.294 12.009 ( 2.455 1.333 6.413) 6.995 12.053 ( -2.372 0.172 6.335) 6.766 12.402 ( 0.611 2.076 -3.315) 3.959 12.418 ( -1.211 2.730 -2.724) 4.042 12.546 ( 3.157 3.088 7.367) 8.589 12.597 ( -2.470 2.073 7.505) 8.169 13.200 ( 1.332 0.434 7.029) 7.167 13.224 ( -1.272 -0.387 6.841) 6.969 13.742 ( 0.080 -10.664 -5.749) 12.115 13.744 ( -0.060 -10.740 -5.780) 12.197 ======================= Grid point 108 (45/80) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( 0.000 17.654 3.291) 17.958 3.487 ( 0.000 13.188 1.232) 13.245 3.700 ( 0.000 10.098 2.782) 10.475 3.721 ( 0.000 10.586 2.674) 10.918 3.759 ( 0.000 7.812 1.797) 8.016 3.804 ( 0.000 4.476 0.145) 4.478 3.813 ( 0.000 1.515 -0.534) 1.606 3.863 ( 0.000 2.105 -0.440) 2.150 4.261 ( 0.000 10.724 4.188) 11.513 4.378 ( 0.000 9.253 8.876) 12.822 4.404 ( 0.000 20.260 1.204) 20.296 4.595 ( 0.000 1.483 2.048) 2.529 4.650 ( 0.000 3.842 2.434) 4.548 4.668 ( 0.000 -4.660 3.471) 5.811 4.864 ( 0.000 -8.685 2.029) 8.919 4.969 ( 0.000 -4.110 -0.752) 4.178 5.522 ( 0.000 14.460 0.075) 14.461 5.573 ( 0.000 11.486 -0.956) 11.526 5.607 ( 0.000 11.055 1.010) 11.101 5.640 ( 0.000 9.232 -0.301) 9.237 5.697 ( 0.000 11.585 0.965) 11.625 5.726 ( 0.000 10.567 1.844) 10.727 5.830 ( 0.000 7.204 1.325) 7.325 5.837 ( 0.000 5.373 2.036) 5.746 7.343 ( 0.000 -3.280 -6.855) 7.600 7.424 ( 0.000 -3.380 -8.268) 8.932 7.519 ( 0.000 -9.567 -8.401) 12.732 7.571 ( 0.000 -11.031 -7.906) 13.572 8.033 ( 0.000 -2.216 -6.586) 6.949 8.113 ( 0.000 -5.600 -7.294) 9.196 8.262 ( 0.000 6.744 -4.747) 8.247 8.502 ( 0.000 -6.191 -2.439) 6.654 8.589 ( 0.000 0.619 -3.830) 3.880 8.667 ( 0.000 -4.457 1.726) 4.779 8.932 ( 0.000 0.172 2.542) 2.548 9.003 ( 0.000 0.763 0.805) 1.109 9.355 ( 0.000 3.605 3.321) 4.901 9.461 ( 0.000 2.774 2.077) 3.465 9.508 ( 0.000 -1.532 2.726) 3.127 9.521 ( 0.000 0.235 4.818) 4.824 9.851 ( 0.000 5.295 7.830) 9.452 9.877 ( 0.000 2.854 2.086) 3.534 9.935 ( 0.000 2.865 7.425) 7.959 10.005 ( 0.000 4.877 3.256) 5.864 10.043 ( 0.000 -1.932 3.738) 4.207 10.104 ( 0.000 0.736 1.262) 1.461 10.209 ( 0.000 -4.120 0.297) 4.130 10.238 ( 0.000 -1.806 2.394) 2.999 10.569 ( 0.000 -0.827 -3.772) 3.861 10.582 ( 0.000 -0.234 -6.343) 6.348 10.617 ( 0.000 -2.384 -2.986) 3.821 10.631 ( 0.000 -1.229 -5.273) 5.415 11.054 ( 0.000 3.900 -1.687) 4.249 11.091 ( 0.000 3.214 -1.571) 3.577 11.146 ( 0.000 0.672 0.102) 0.680 11.172 ( 0.000 -0.990 -1.580) 1.864 11.413 ( 0.000 3.467 -4.334) 5.550 11.426 ( 0.000 2.349 -5.252) 5.754 11.459 ( 0.000 -0.144 -1.624) 1.631 11.489 ( 0.000 -0.273 -0.844) 0.887 11.839 ( 0.000 1.026 1.994) 2.243 11.873 ( 0.000 1.130 1.468) 1.852 11.973 ( 0.000 -2.898 4.609) 5.444 12.018 ( 0.000 -4.546 3.797) 5.923 12.469 ( 0.000 4.918 -2.994) 5.758 12.526 ( 0.000 4.894 -2.342) 5.426 12.565 ( 0.000 1.753 6.603) 6.832 12.623 ( 0.000 -0.978 5.793) 5.875 13.212 ( 0.000 2.361 6.849) 7.245 13.240 ( 0.000 1.962 6.330) 6.627 13.517 ( 0.000 -11.329 -2.565) 11.616 13.522 ( 0.000 -10.984 -2.181) 11.198 ======================= Grid point 109 (46/80) ======================= q-point: ( 0.33 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( 1.628 16.954 2.898) 17.277 3.468 ( -1.945 14.882 1.919) 15.131 3.704 ( 0.189 9.980 2.985) 10.419 3.713 ( -0.838 10.439 3.187) 10.947 3.757 ( 1.291 4.723 0.380) 4.911 3.790 ( -1.958 2.456 -0.475) 3.176 3.842 ( 2.407 4.436 0.194) 5.051 3.866 ( -0.305 3.084 -0.335) 3.117 4.272 ( 1.530 12.339 4.552) 13.241 4.316 ( -3.618 14.247 5.336) 15.638 4.476 ( 4.880 12.281 4.178) 13.860 4.554 ( -4.083 6.682 3.175) 8.450 4.655 ( 0.582 -1.627 2.650) 3.164 4.665 ( -0.480 -3.374 3.128) 4.626 4.896 ( 3.089 -6.999 0.964) 7.711 4.947 ( -2.498 -4.911 -0.308) 5.518 5.537 ( 1.628 13.997 0.214) 14.093 5.565 ( -1.222 12.786 0.018) 12.844 5.608 ( 0.522 10.044 -0.191) 10.059 5.626 ( -1.302 9.468 -0.511) 9.570 5.709 ( 1.033 11.347 1.387) 11.478 5.723 ( -0.475 10.889 1.816) 11.049 5.831 ( 0.145 6.616 1.465) 6.778 5.835 ( -0.207 5.774 1.825) 6.059 7.358 ( 1.697 -3.289 -7.063) 7.974 7.396 ( -2.521 -3.328 -7.654) 8.719 7.537 ( 1.676 -10.354 -8.686) 13.618 7.563 ( -1.095 -10.988 -8.370) 13.856 8.052 ( 3.914 0.326 -5.750) 6.963 8.163 ( -7.886 3.170 -4.768) 9.746 8.212 ( 8.961 -6.166 -7.208) 13.049 8.387 ( -10.705 -7.085 -6.324) 14.311 8.664 ( 8.125 2.566 2.054) 8.765 8.746 ( 1.728 1.763 2.587) 3.576 8.907 ( -0.342 -2.890 -0.288) 2.924 8.963 ( -4.331 -1.372 -0.271) 4.552 9.387 ( 3.231 3.208 3.396) 5.680 9.441 ( -2.581 2.702 2.833) 4.689 9.508 ( 0.650 -0.500 3.338) 3.437 9.521 ( -0.424 -0.322 3.858) 3.894 9.863 ( 1.338 4.938 6.601) 8.351 9.885 ( -0.264 4.518 4.435) 6.337 9.925 ( 0.408 2.083 5.871) 6.243 9.965 ( -3.178 2.393 4.483) 5.994 10.073 ( 1.930 0.393 2.324) 3.046 10.097 ( -0.896 0.768 1.500) 1.908 10.222 ( 1.139 -3.671 1.018) 3.976 10.236 ( -0.398 -2.530 2.048) 3.280 10.574 ( 0.496 -0.898 -4.093) 4.220 10.581 ( -0.203 -0.686 -5.388) 5.435 10.616 ( 0.120 -1.767 -3.876) 4.262 10.624 ( -0.675 -1.265 -5.055) 5.255 11.062 ( 0.949 3.819 -1.540) 4.225 11.081 ( -1.026 3.494 -1.438) 3.916 11.153 ( 0.750 0.238 -0.429) 0.897 11.166 ( -0.638 -0.574 -1.227) 1.498 11.416 ( 0.336 3.121 -4.631) 5.594 11.422 ( -0.360 2.570 -5.069) 5.694 11.467 ( 0.862 -0.195 -1.376) 1.636 11.482 ( -0.725 -0.266 -0.997) 1.262 11.846 ( 0.795 1.087 1.882) 2.314 11.863 ( -1.008 1.136 1.624) 2.223 11.985 ( 1.266 -3.348 4.359) 5.640 12.007 ( -1.144 -4.171 3.962) 5.866 12.479 ( 1.111 5.034 -2.527) 5.741 12.504 ( -1.734 5.021 -1.733) 5.588 12.587 ( 1.786 0.953 5.633) 5.985 12.613 ( -1.153 -0.396 5.717) 5.846 13.219 ( 0.758 2.262 6.712) 7.123 13.233 ( -0.738 2.062 6.453) 6.814 13.519 ( 0.122 -11.245 -2.472) 11.514 13.521 ( -0.117 -11.072 -2.280) 11.305 ======================= Grid point 111 (47/80) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( 0.000 -9.443 0.391) 9.451 3.701 ( 0.000 9.443 0.391) 9.452 3.705 ( 0.000 -8.207 -0.327) 8.214 3.705 ( 0.000 8.207 -0.327) 8.214 3.828 ( 0.000 -0.769 1.113) 1.352 3.828 ( 0.000 0.769 1.113) 1.352 3.888 ( 0.000 -2.555 -0.209) 2.564 3.888 ( 0.000 2.555 -0.209) 2.564 4.477 ( 0.000 -9.409 4.328) 10.357 4.477 ( 0.000 9.409 4.328) 10.357 4.574 ( 0.000 -8.559 7.018) 11.068 4.574 ( 0.000 8.559 7.018) 11.068 4.683 ( 0.000 -0.828 1.522) 1.733 4.683 ( 0.000 0.828 1.522) 1.733 4.810 ( 0.000 -9.789 2.965) 10.228 4.810 ( 0.000 9.789 2.965) 10.228 5.677 ( 0.000 -1.147 -0.805) 1.402 5.677 ( 0.000 1.147 -0.805) 1.402 5.727 ( 0.000 -0.803 0.255) 0.843 5.727 ( 0.000 0.803 0.255) 0.843 5.845 ( 0.000 -1.880 1.251) 2.258 5.845 ( 0.000 1.880 1.251) 2.258 5.877 ( 0.000 -1.302 1.820) 2.238 5.877 ( 0.000 1.302 1.820) 2.238 7.361 ( 0.000 -5.104 -8.560) 9.966 7.361 ( 0.000 5.104 -8.560) 9.966 7.422 ( 0.000 -3.576 -8.621) 9.333 7.422 ( 0.000 3.576 -8.621) 9.333 8.033 ( 0.000 -2.209 -7.008) 7.348 8.033 ( 0.000 2.209 -7.008) 7.348 8.389 ( 0.000 -5.594 -4.036) 6.897 8.389 ( 0.000 5.594 -4.036) 6.897 8.605 ( 0.000 -1.592 -1.424) 2.136 8.605 ( 0.000 1.592 -1.424) 2.136 8.970 ( 0.000 -2.913 2.814) 4.050 8.970 ( 0.000 2.913 2.814) 4.050 9.443 ( 0.000 -4.377 2.786) 5.188 9.443 ( 0.000 4.377 2.786) 5.188 9.511 ( 0.000 -1.517 2.948) 3.315 9.511 ( 0.000 1.517 2.948) 3.315 9.916 ( 0.000 -0.016 3.437) 3.437 9.916 ( 0.000 0.017 3.437) 3.437 9.990 ( 0.000 -3.085 7.500) 8.110 9.990 ( 0.000 3.085 7.500) 8.110 10.107 ( 0.000 -5.486 0.985) 5.573 10.107 ( 0.000 5.486 0.985) 5.573 10.163 ( 0.000 -4.660 4.268) 6.319 10.163 ( 0.000 4.660 4.268) 6.319 10.583 ( 0.000 -0.153 -5.273) 5.275 10.583 ( 0.000 0.153 -5.273) 5.275 10.592 ( 0.000 -1.414 -5.501) 5.680 10.592 ( 0.000 1.414 -5.501) 5.680 11.128 ( 0.000 -2.970 -1.965) 3.561 11.128 ( 0.000 2.970 -1.965) 3.561 11.143 ( 0.000 -1.764 -1.661) 2.423 11.143 ( 0.000 1.764 -1.661) 2.423 11.451 ( 0.000 -0.768 -2.880) 2.980 11.451 ( 0.000 0.768 -2.880) 2.980 11.469 ( 0.000 -1.761 -2.029) 2.686 11.469 ( 0.000 1.761 -2.029) 2.686 11.895 ( 0.000 -4.125 2.619) 4.886 11.895 ( 0.000 4.125 2.619) 4.886 11.926 ( 0.000 -4.007 1.793) 4.390 11.926 ( 0.000 4.007 1.793) 4.390 12.559 ( 0.000 -3.087 1.679) 3.514 12.559 ( 0.000 3.087 1.679) 3.514 12.593 ( 0.000 -1.772 2.237) 2.854 12.593 ( 0.000 1.772 2.237) 2.854 13.315 ( 0.000 -8.149 2.392) 8.493 13.315 ( 0.000 8.149 2.392) 8.493 13.333 ( 0.000 -7.378 2.653) 7.841 13.333 ( 0.000 7.378 2.653) 7.841 ======================= Grid point 113 (48/80) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.703 ( 0.185 -8.852 0.256) 8.858 3.703 ( 0.185 8.852 0.256) 8.858 3.705 ( -0.075 -8.409 -0.048) 8.410 3.705 ( -0.075 8.409 -0.048) 8.410 3.841 ( 1.451 -3.195 0.724) 3.583 3.841 ( 1.451 3.195 0.724) 3.583 3.871 ( -1.733 -3.583 0.074) 3.981 3.871 ( -1.733 3.583 0.074) 3.981 4.497 ( 2.116 -8.873 4.625) 10.227 4.497 ( 2.116 8.873 4.625) 10.227 4.541 ( -2.876 -8.331 5.611) 10.448 4.541 ( -2.876 8.331 5.611) 10.448 4.724 ( 3.744 -6.851 2.598) 8.228 4.724 ( 3.744 6.851 2.598) 8.228 4.784 ( -2.857 -9.150 2.958) 10.032 4.784 ( -2.857 9.150 2.958) 10.032 5.689 ( 1.226 -1.024 -0.582) 1.700 5.689 ( 1.226 1.024 -0.582) 1.700 5.713 ( -1.414 -0.840 -0.069) 1.646 5.713 ( -1.414 0.840 -0.069) 1.646 5.855 ( 0.969 -1.703 1.456) 2.441 5.855 ( 0.969 1.703 1.456) 2.441 5.871 ( -0.730 -1.422 1.724) 2.351 5.871 ( -0.730 1.422 1.724) 2.351 7.374 ( 1.442 -4.957 -8.614) 10.043 7.374 ( 1.442 4.957 -8.614) 10.043 7.404 ( -1.828 -4.321 -8.652) 9.843 7.404 ( -1.828 4.321 -8.652) 9.843 8.098 ( 7.278 -4.149 -6.429) 10.561 8.098 ( 7.278 4.149 -6.429) 10.561 8.256 ( -10.584 -5.575 -5.083) 12.998 8.256 ( -10.584 5.575 -5.083) 12.998 8.739 ( 10.775 -3.567 -0.118) 11.351 8.739 ( 10.775 3.567 -0.118) 11.351 8.902 ( -7.578 -3.197 1.839) 8.428 8.902 ( -7.578 3.197 1.839) 8.428 9.464 ( 2.045 -3.662 2.926) 5.114 9.464 ( 2.045 3.662 2.926) 5.114 9.497 ( -1.581 -2.266 2.977) 4.062 9.497 ( -1.581 2.266 2.977) 4.062 9.931 ( 1.686 -1.260 4.100) 4.609 9.931 ( 1.686 1.260 4.100) 4.609 9.967 ( -2.225 -1.962 5.861) 6.569 9.967 ( -2.225 1.962 5.861) 6.569 10.126 ( 1.774 -4.757 2.449) 5.637 10.126 ( 1.774 4.757 2.449) 5.637 10.153 ( -1.182 -4.661 3.819) 6.141 10.153 ( -1.182 4.661 3.819) 6.141 10.584 ( 0.204 -0.595 -5.335) 5.372 10.584 ( 0.204 0.595 -5.335) 5.372 10.589 ( -0.278 -1.160 -5.450) 5.579 10.589 ( -0.278 1.160 -5.450) 5.579 11.132 ( 0.456 -2.680 -1.860) 3.294 11.132 ( 0.456 2.680 -1.860) 3.294 11.140 ( -0.365 -2.079 -1.710) 2.717 11.140 ( -0.365 2.079 -1.710) 2.717 11.455 ( 0.459 -1.044 -2.687) 2.919 11.455 ( 0.459 1.044 -2.687) 2.919 11.464 ( -0.490 -1.538 -2.260) 2.778 11.464 ( -0.490 1.538 -2.260) 2.778 11.902 ( 0.822 -4.164 2.411) 4.881 11.902 ( 0.822 4.164 2.411) 4.881 11.918 ( -0.867 -4.111 1.997) 4.652 11.918 ( -0.867 4.111 1.997) 4.652 12.568 ( 0.925 -2.899 1.819) 3.546 12.568 ( 0.925 2.899 1.819) 3.546 12.585 ( -0.906 -2.273 2.098) 3.224 12.585 ( -0.906 2.273 2.098) 3.224 13.319 ( 0.493 -7.947 2.459) 8.334 13.319 ( 0.493 7.947 2.459) 8.334 13.328 ( -0.478 -7.562 2.589) 8.007 13.328 ( -0.478 7.562 2.589) 8.007 ======================= Grid point 135 (49/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 0.000 22.046) 22.046 1.833 ( 0.000 0.000 16.581) 16.581 1.901 ( 0.000 0.000 23.440) 23.440 2.099 ( 0.000 0.000 1.659) 1.659 2.125 ( 0.000 0.000 21.817) 21.817 2.413 ( 0.000 0.000 7.323) 7.323 2.557 ( 0.000 0.000 12.562) 12.562 2.888 ( 0.000 0.000 0.188) 0.188 3.098 ( 0.000 0.000 -0.782) 0.782 3.125 ( 0.000 0.000 3.587) 3.587 3.211 ( 0.000 0.000 -9.376) 9.376 3.258 ( 0.000 0.000 6.814) 6.814 3.421 ( 0.000 0.000 -9.134) 9.134 3.425 ( 0.000 0.000 9.833) 9.833 3.510 ( 0.000 0.000 11.705) 11.705 3.553 ( 0.000 0.000 -4.006) 4.006 3.584 ( 0.000 0.000 -6.003) 6.003 3.778 ( 0.000 0.000 -3.181) 3.181 4.231 ( 0.000 0.000 4.498) 4.498 4.492 ( 0.000 0.000 -2.491) 2.491 4.558 ( 0.000 0.000 9.176) 9.176 4.983 ( 0.000 0.000 -1.232) 1.232 5.097 ( 0.000 0.000 0.114) 0.114 5.325 ( 0.000 0.000 -4.581) 4.581 7.252 ( 0.000 0.000 3.266) 3.266 7.421 ( 0.000 0.000 0.761) 0.761 7.669 ( 0.000 0.000 0.296) 0.296 7.712 ( 0.000 0.000 -3.232) 3.232 7.863 ( 0.000 0.000 -7.136) 7.136 8.270 ( 0.000 0.000 -13.400) 13.400 8.835 ( 0.000 0.000 6.542) 6.542 8.915 ( 0.000 0.000 3.441) 3.441 8.922 ( 0.000 0.000 3.358) 3.358 9.137 ( 0.000 0.000 -1.512) 1.512 9.140 ( 0.000 0.000 -1.587) 1.587 9.160 ( 0.000 0.000 -5.582) 5.582 9.474 ( 0.000 0.000 1.299) 1.299 9.784 ( 0.000 0.000 -6.870) 6.870 9.906 ( 0.000 0.000 2.161) 2.161 9.969 ( 0.000 0.000 1.385) 1.385 9.981 ( 0.000 0.000 -0.559) 0.559 10.023 ( 0.000 0.000 -2.184) 2.184 10.079 ( 0.000 0.000 -3.552) 3.552 10.115 ( 0.000 0.000 0.940) 0.940 10.131 ( 0.000 0.000 -0.643) 0.643 10.132 ( 0.000 0.000 -3.508) 3.508 10.201 ( 0.000 0.000 4.163) 4.163 10.362 ( 0.000 0.000 -1.520) 1.520 10.446 ( 0.000 0.000 0.120) 0.120 10.467 ( 0.000 0.000 0.181) 0.181 10.569 ( 0.000 0.000 3.511) 3.511 10.676 ( 0.000 0.000 -4.460) 4.460 10.702 ( 0.000 0.000 0.733) 0.733 10.761 ( 0.000 0.000 -5.713) 5.713 10.812 ( 0.000 0.000 7.580) 7.580 11.007 ( 0.000 0.000 2.213) 2.213 11.599 ( 0.000 0.000 2.569) 2.569 11.621 ( 0.000 0.000 3.034) 3.034 11.634 ( 0.000 0.000 3.032) 3.032 11.695 ( 0.000 0.000 2.616) 2.616 11.800 ( 0.000 0.000 10.712) 10.712 11.830 ( 0.000 0.000 11.006) 11.006 11.888 ( 0.000 0.000 9.763) 9.763 11.973 ( 0.000 0.000 12.228) 12.228 12.183 ( 0.000 0.000 0.969) 0.969 12.360 ( 0.000 0.000 -2.921) 2.921 12.391 ( 0.000 0.000 1.622) 1.622 12.483 ( 0.000 0.000 1.566) 1.566 12.968 ( 0.000 0.000 7.951) 7.951 13.052 ( 0.000 0.000 3.958) 3.958 13.894 ( 0.000 0.000 -15.474) 15.474 13.952 ( 0.000 0.000 -17.166) 17.166 ======================= Grid point 136 (50/80) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 10.549 0.000 20.187) 22.777 1.795 ( -17.170 0.000 15.885) 23.391 1.814 ( -0.853 0.000 18.493) 18.513 1.842 ( -4.184 0.000 21.208) 21.616 2.441 ( 18.793 0.000 7.899) 20.386 2.555 ( 12.430 0.000 6.836) 14.186 2.632 ( 5.100 0.000 8.091) 9.564 2.731 ( -14.874 0.000 3.714) 15.330 3.038 ( -6.946 0.000 11.017) 13.024 3.072 ( -12.600 0.000 14.703) 19.363 3.156 ( 3.761 0.000 -5.353) 6.543 3.199 ( -1.506 0.000 -8.652) 8.782 3.459 ( 3.868 0.000 -6.913) 7.922 3.475 ( 4.569 0.000 2.918) 5.421 3.524 ( -3.195 0.000 -4.610) 5.609 3.549 ( -3.725 0.000 -3.532) 5.134 3.646 ( 9.015 0.000 4.014) 9.868 3.751 ( -3.502 0.000 -1.553) 3.831 4.279 ( 5.189 0.000 4.110) 6.619 4.388 ( -7.217 0.000 2.697) 7.704 4.681 ( 9.438 0.000 4.120) 10.298 4.850 ( -10.285 0.000 1.789) 10.439 5.201 ( 7.034 0.000 -2.457) 7.451 5.294 ( -3.725 0.000 -4.034) 5.491 7.287 ( 3.948 0.000 2.510) 4.678 7.371 ( -5.151 0.000 1.361) 5.328 7.656 ( -0.203 0.000 -1.557) 1.571 7.675 ( -2.028 0.000 -2.418) 3.156 8.002 ( 11.782 0.000 -7.053) 13.732 8.188 ( -8.975 0.000 -10.120) 13.527 8.898 ( 7.107 0.000 2.075) 7.403 8.917 ( 0.190 0.000 3.420) 3.426 8.920 ( -0.190 0.000 3.379) 3.384 9.050 ( -9.768 0.000 -3.204) 10.280 9.138 ( 0.085 0.000 -1.531) 1.533 9.139 ( -0.085 0.000 -1.568) 1.570 9.591 ( 10.780 0.000 1.253) 10.853 9.773 ( -8.176 0.000 0.182) 8.178 9.850 ( 2.113 0.000 -2.687) 3.418 9.926 ( -4.430 0.000 -0.874) 4.515 9.989 ( 0.949 0.000 -0.921) 1.322 10.009 ( -1.250 0.000 -1.718) 2.125 10.094 ( 1.481 0.000 -3.581) 3.876 10.113 ( -0.024 0.000 0.760) 0.760 10.119 ( -0.701 0.000 0.241) 0.742 10.120 ( -1.308 0.000 -3.545) 3.779 10.275 ( 5.555 0.000 1.932) 5.882 10.343 ( -2.413 0.000 -0.519) 2.468 10.451 ( 0.591 0.000 0.149) 0.609 10.462 ( -0.534 0.000 0.176) 0.562 10.596 ( 3.040 0.000 4.143) 5.139 10.660 ( -3.890 0.000 3.847) 5.471 10.697 ( 2.249 0.000 -4.789) 5.291 10.739 ( -2.290 0.000 -5.408) 5.873 10.875 ( 5.803 0.000 4.023) 7.061 10.968 ( -4.385 0.000 2.446) 5.021 11.603 ( 0.532 0.000 2.687) 2.739 11.614 ( -0.618 0.000 2.918) 2.983 11.652 ( 1.700 0.000 2.909) 3.369 11.681 ( -1.501 0.000 2.702) 3.091 11.806 ( 0.700 0.000 10.674) 10.696 11.821 ( -0.931 0.000 10.739) 10.779 11.904 ( 1.795 0.000 10.465) 10.618 11.944 ( -2.632 0.000 11.474) 11.772 12.227 ( 4.278 0.000 0.778) 4.348 12.304 ( -4.414 0.000 -0.542) 4.447 12.432 ( 2.686 0.000 0.404) 2.716 12.469 ( -1.569 0.000 1.144) 1.942 12.988 ( 2.178 0.000 6.964) 7.296 13.030 ( -2.344 0.000 4.973) 5.498 13.909 ( 1.614 0.000 -15.933) 16.015 13.938 ( -1.487 0.000 -16.776) 16.842 ======================= Grid point 138 (51/80) ======================= q-point: ( 0.00 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.000 23.793 17.922) 29.788 1.858 ( 0.000 4.523 13.729) 14.455 2.003 ( 0.000 10.636 24.110) 26.351 2.224 ( 0.000 8.771 19.139) 21.053 2.320 ( 0.000 18.538 3.199) 18.812 2.484 ( 0.000 9.031 6.299) 11.011 2.665 ( 0.000 10.157 14.212) 17.468 3.051 ( 0.000 15.454 0.893) 15.479 3.097 ( 0.000 1.219 1.185) 1.700 3.241 ( 0.000 10.495 1.151) 10.558 3.299 ( 0.000 4.174 3.703) 5.579 3.327 ( 0.000 5.727 -3.588) 6.758 3.424 ( 0.000 8.880 -5.682) 10.543 3.468 ( 0.000 4.529 9.712) 10.716 3.590 ( 0.000 3.099 -5.640) 6.436 3.687 ( 0.000 12.739 3.560) 13.227 3.709 ( 0.000 12.821 -3.956) 13.418 3.828 ( 0.000 6.133 -4.935) 7.872 4.261 ( 0.000 3.120 5.088) 5.968 4.513 ( 0.000 2.139 -1.941) 2.888 4.566 ( 0.000 0.945 9.324) 9.372 4.993 ( 0.000 1.142 -1.090) 1.578 5.091 ( 0.000 -0.566 0.187) 0.596 5.324 ( 0.000 -0.038 -4.446) 4.446 7.293 ( 0.000 4.032 3.170) 5.129 7.444 ( 0.000 2.237 1.273) 2.573 7.695 ( 0.000 2.401 -0.065) 2.402 7.730 ( 0.000 1.744 -2.988) 3.460 7.901 ( 0.000 3.641 -7.322) 8.177 8.276 ( 0.000 0.566 -12.994) 13.006 8.788 ( 0.000 -3.976 5.324) 6.645 8.874 ( 0.000 -3.875 2.547) 4.637 8.933 ( 0.000 0.290 3.257) 3.270 9.119 ( 0.000 -1.494 -3.248) 3.575 9.150 ( 0.000 0.360 -1.269) 1.319 9.170 ( 0.000 -0.324 -3.245) 3.261 9.386 ( 0.000 -6.645 2.556) 7.119 9.718 ( 0.000 -4.873 -6.214) 7.897 9.844 ( 0.000 -6.079 2.204) 6.466 9.924 ( 0.000 -4.087 1.675) 4.417 9.968 ( 0.000 -1.578 -0.221) 1.594 10.038 ( 0.000 -5.531 0.480) 5.551 10.053 ( 0.000 2.393 -1.985) 3.109 10.124 ( 0.000 2.000 -2.966) 3.577 10.135 ( 0.000 -1.372 -1.012) 1.705 10.143 ( 0.000 1.391 -0.997) 1.711 10.159 ( 0.000 -1.514 2.812) 3.194 10.332 ( 0.000 -2.686 -1.346) 3.005 10.453 ( 0.000 -0.742 2.860) 2.954 10.472 ( 0.000 0.251 1.170) 1.197 10.622 ( 0.000 4.850 1.304) 5.022 10.661 ( 0.000 -0.820 -1.236) 1.483 10.750 ( 0.000 1.605 -5.191) 5.434 10.776 ( 0.000 2.637 -2.426) 3.583 10.812 ( 0.000 0.756 4.853) 4.911 10.988 ( 0.000 -1.155 0.761) 1.383 11.540 ( 0.000 -4.674 3.153) 5.638 11.554 ( 0.000 -5.081 3.444) 6.138 11.606 ( 0.000 -2.584 2.132) 3.350 11.661 ( 0.000 -3.128 1.910) 3.665 11.859 ( 0.000 4.362 9.341) 10.309 11.886 ( 0.000 3.928 9.032) 9.849 11.901 ( 0.000 1.274 10.055) 10.136 11.992 ( 0.000 1.865 11.306) 11.459 12.214 ( 0.000 3.161 1.736) 3.606 12.375 ( 0.000 1.442 -1.890) 2.377 12.414 ( 0.000 2.340 2.527) 3.444 12.487 ( 0.000 0.316 2.436) 2.457 13.004 ( 0.000 3.416 7.663) 8.390 13.087 ( 0.000 3.400 3.750) 5.062 13.890 ( 0.000 -0.399 -15.127) 15.132 13.943 ( 0.000 -0.868 -16.686) 16.708 ======================= Grid point 139 (52/80) ======================= q-point: ( 0.33 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 6.188 21.338 18.908) 29.174 1.852 ( 0.020 8.419 17.311) 19.250 1.938 ( -3.455 9.848 20.153) 22.695 2.037 ( -12.533 16.888 14.404) 25.490 2.500 ( 12.896 6.979 5.602) 15.697 2.601 ( 5.722 6.857 4.149) 9.848 2.754 ( 8.859 12.026 9.335) 17.614 2.911 ( -9.437 14.919 6.642) 18.861 3.059 ( -5.276 2.857 8.586) 10.474 3.105 ( -11.369 4.215 11.796) 16.916 3.293 ( 3.866 12.531 -3.491) 13.571 3.343 ( -2.017 13.155 -7.057) 15.064 3.489 ( 4.967 2.756 -1.194) 5.804 3.547 ( 6.420 6.444 -1.160) 9.170 3.561 ( -3.074 3.427 -3.948) 6.065 3.646 ( -4.604 9.216 -2.042) 10.502 3.757 ( 4.352 11.422 0.017) 12.223 3.814 ( -1.956 7.606 -3.264) 8.505 4.304 ( 4.791 2.693 4.662) 7.207 4.407 ( -6.961 2.057 3.322) 7.982 4.692 ( 9.390 1.213 4.127) 10.328 4.860 ( -10.163 0.977 1.882) 10.382 5.198 ( 7.090 -0.226 -2.378) 7.481 5.292 ( -3.817 -0.124 -3.914) 5.469 7.324 ( 3.521 3.671 2.562) 5.695 7.399 ( -4.588 2.769 1.683) 5.617 7.684 ( -0.177 2.620 -1.611) 3.081 7.700 ( -1.767 2.357 -2.354) 3.771 8.026 ( 11.007 2.348 -7.225) 13.374 8.201 ( -8.393 1.188 -10.050) 13.147 8.818 ( 3.152 -5.090 2.524) 6.497 8.864 ( -1.606 -4.673 2.063) 5.354 8.955 ( 3.010 0.522 2.327) 3.840 9.046 ( -7.253 -1.350 -1.769) 7.587 9.140 ( 0.138 -0.049 -1.588) 1.595 9.149 ( -0.741 0.666 -1.652) 1.929 9.517 ( 11.436 -5.917 1.877) 13.012 9.704 ( -8.319 -5.687 0.802) 10.109 9.791 ( 2.694 -4.807 -2.790) 6.177 9.880 ( -5.261 -4.164 -1.172) 6.811 9.976 ( 1.105 -1.842 -0.120) 2.151 10.003 ( -2.024 -2.429 -0.355) 3.182 10.091 ( 2.548 0.552 -1.072) 2.819 10.125 ( -1.001 1.161 -2.241) 2.715 10.131 ( 0.321 1.702 -1.423) 2.241 10.141 ( -0.503 1.220 -1.446) 1.958 10.219 ( 5.337 -4.254 2.746) 7.357 10.298 ( -3.631 -3.663 0.536) 5.185 10.463 ( 0.676 -0.308 2.012) 2.145 10.470 ( -0.238 0.072 1.364) 1.387 10.642 ( 2.134 4.318 1.415) 5.020 10.670 ( -0.048 0.735 -0.077) 0.740 10.733 ( -0.809 2.890 -3.131) 4.337 10.748 ( -1.798 0.159 -3.279) 3.743 10.871 ( 4.943 0.475 1.884) 5.311 10.951 ( -3.977 -0.780 0.970) 4.167 11.543 ( 0.368 -4.760 3.213) 5.755 11.550 ( -0.403 -4.947 3.352) 5.990 11.622 ( 1.562 -2.745 2.070) 3.776 11.649 ( -1.371 -3.001 1.955) 3.835 11.862 ( 0.412 4.095 9.306) 10.176 11.873 ( -0.856 3.669 9.219) 9.959 11.924 ( 2.079 1.923 10.209) 10.595 11.965 ( -2.552 2.003 10.821) 11.297 12.254 ( 3.969 2.809 1.405) 5.061 12.326 ( -4.124 2.264 0.116) 4.706 12.446 ( 2.224 1.333 1.566) 3.029 12.477 ( -1.256 0.592 2.124) 2.538 13.024 ( 2.167 3.450 6.660) 7.807 13.066 ( -2.283 3.441 4.711) 6.265 13.904 ( 1.478 -0.525 -15.548) 15.627 13.931 ( -1.364 -0.759 -16.325) 16.399 ======================= Grid point 141 (53/80) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 0.000 13.972 11.748) 18.255 2.187 ( 0.000 17.155 13.299) 21.706 2.309 ( 0.000 19.493 20.507) 28.293 2.453 ( 0.000 14.884 14.734) 20.943 2.734 ( 0.000 20.859 7.897) 22.304 2.863 ( 0.000 28.468 3.160) 28.643 2.908 ( 0.000 12.952 16.699) 21.133 3.155 ( 0.000 4.694 0.027) 4.694 3.412 ( 0.000 10.325 3.871) 11.027 3.414 ( 0.000 6.151 2.908) 6.803 3.452 ( 0.000 18.675 -3.780) 19.054 3.511 ( 0.000 15.286 -2.619) 15.509 3.607 ( 0.000 8.964 4.604) 10.077 3.726 ( 0.000 12.936 -1.989) 13.088 3.777 ( 0.000 22.195 -7.682) 23.487 3.937 ( 0.000 14.198 -1.750) 14.305 4.052 ( 0.000 20.124 -3.451) 20.418 4.090 ( 0.000 18.263 -4.108) 18.720 4.369 ( 0.000 8.163 6.415) 10.382 4.588 ( 0.000 5.818 -0.619) 5.851 4.612 ( 0.000 4.541 9.780) 10.783 5.033 ( 0.000 2.953 -0.466) 2.990 5.079 ( 0.000 -0.428 0.339) 0.546 5.326 ( 0.000 0.310 -3.932) 3.945 7.407 ( 0.000 7.102 2.811) 7.638 7.504 ( 0.000 3.454 2.127) 4.056 7.751 ( 0.000 2.618 -0.853) 2.753 7.774 ( 0.000 2.299 -2.433) 3.347 8.002 ( 0.000 6.136 -7.926) 10.024 8.284 ( 0.000 -0.179 -11.999) 12.001 8.686 ( 0.000 -6.243 2.039) 6.567 8.762 ( 0.000 -7.667 0.164) 7.668 8.912 ( 0.000 -2.747 3.076) 4.124 9.070 ( 0.000 -3.637 -3.398) 4.977 9.078 ( 0.000 -7.161 0.990) 7.229 9.137 ( 0.000 -2.519 -2.030) 3.235 9.338 ( 0.000 2.591 3.170) 4.094 9.634 ( 0.000 -4.380 -2.246) 4.922 9.690 ( 0.000 -7.330 0.837) 7.378 9.819 ( 0.000 -6.201 0.105) 6.202 9.928 ( 0.000 -4.419 3.012) 5.348 9.929 ( 0.000 -2.028 0.397) 2.067 10.043 ( 0.000 -4.800 5.134) 7.028 10.093 ( 0.000 1.361 -2.557) 2.897 10.135 ( 0.000 -2.561 0.492) 2.608 10.173 ( 0.000 -0.168 -3.168) 3.172 10.174 ( 0.000 0.977 -0.855) 1.298 10.273 ( 0.000 -2.716 -1.170) 2.957 10.411 ( 0.000 -1.273 5.384) 5.532 10.485 ( 0.000 1.189 1.681) 2.059 10.649 ( 0.000 -0.420 -0.223) 0.475 10.700 ( 0.000 -4.440 -1.696) 4.753 10.728 ( 0.000 5.078 -0.977) 5.171 10.856 ( 0.000 3.173 0.050) 3.173 10.876 ( 0.000 5.451 -5.007) 7.402 10.995 ( 0.000 1.844 -3.017) 3.536 11.445 ( 0.000 -4.423 3.324) 5.533 11.450 ( 0.000 -5.116 2.805) 5.835 11.544 ( 0.000 -3.326 0.710) 3.401 11.586 ( 0.000 -4.002 0.668) 4.058 11.934 ( 0.000 2.556 6.924) 7.380 11.936 ( 0.000 2.186 9.267) 9.522 11.946 ( 0.000 1.844 5.955) 6.234 12.041 ( 0.000 2.749 8.570) 9.001 12.309 ( 0.000 6.143 3.936) 7.296 12.409 ( 0.000 1.754 0.839) 1.945 12.488 ( 0.000 5.021 4.567) 6.787 12.489 ( 0.000 -0.223 4.226) 4.231 13.091 ( 0.000 4.967 6.791) 8.414 13.177 ( 0.000 5.161 3.567) 6.274 13.874 ( 0.000 -1.353 -14.101) 14.165 13.914 ( 0.000 -2.118 -15.317) 15.463 ======================= Grid point 142 (54/80) ======================= q-point: ( 0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 4.784 15.113 13.954) 21.119 2.187 ( -4.890 14.239 14.876) 21.165 2.271 ( 3.275 22.271 17.334) 28.411 2.391 ( -7.778 17.542 14.832) 24.253 2.758 ( 6.420 17.651 6.731) 19.952 2.874 ( -3.922 18.295 2.190) 18.839 3.049 ( 12.694 15.351 10.804) 22.661 3.152 ( 3.261 11.293 7.166) 13.766 3.240 ( -9.792 11.533 7.929) 17.081 3.308 ( -11.396 18.838 1.896) 22.098 3.559 ( 4.880 6.788 -5.115) 9.801 3.584 ( 3.234 9.959 -5.321) 11.745 3.626 ( 3.017 13.639 3.347) 14.364 3.698 ( -3.265 14.612 0.357) 14.977 3.801 ( 3.199 19.487 -6.264) 20.717 3.880 ( -5.261 15.497 -3.521) 16.741 4.075 ( 1.689 19.274 -3.132) 19.600 4.092 ( -0.200 18.513 -4.025) 18.947 4.400 ( 3.613 7.444 5.928) 10.179 4.484 ( -6.017 6.297 4.748) 9.920 4.739 ( 8.792 4.040 4.300) 10.588 4.895 ( -9.436 2.796 2.284) 10.103 5.197 ( 7.075 0.287 -2.073) 7.378 5.292 ( -3.963 0.250 -3.459) 5.266 7.427 ( 2.331 6.419 2.518) 7.279 7.476 ( -2.897 4.626 2.200) 5.885 7.746 ( -0.125 3.007 -1.586) 3.402 7.756 ( -1.171 2.708 -2.216) 3.690 8.091 ( 8.466 3.941 -7.970) 12.277 8.228 ( -6.446 1.140 -10.071) 12.012 8.702 ( 1.934 -6.804 0.750) 7.113 8.742 ( -2.222 -7.681 -0.070) 7.996 8.926 ( 1.811 -3.277 2.254) 4.370 8.980 ( -4.806 -4.591 0.376) 6.657 9.122 ( 1.260 -2.588 -1.833) 3.412 9.135 ( -0.439 -2.436 -2.019) 3.194 9.429 ( 8.979 -1.514 3.195) 9.650 9.583 ( -7.797 -5.975 3.021) 10.277 9.699 ( 3.810 -3.752 -3.196) 6.230 9.779 ( -4.449 -5.462 -1.465) 7.195 9.927 ( 0.287 -2.818 1.380) 3.151 9.932 ( -0.132 -3.291 1.372) 3.567 10.074 ( 2.998 -5.186 4.495) 7.489 10.118 ( -1.127 -2.751 0.420) 3.002 10.121 ( 1.754 -0.427 -0.583) 1.897 10.159 ( -1.709 0.433 -1.281) 2.179 10.188 ( 1.887 -0.129 -2.021) 2.768 10.236 ( -3.359 -1.639 -0.615) 3.788 10.440 ( 2.409 -0.668 3.591) 4.375 10.473 ( -1.387 0.637 2.127) 2.618 10.660 ( 1.214 -1.261 -0.462) 1.811 10.684 ( -1.406 -2.740 -1.120) 3.277 10.758 ( 2.930 4.032 -1.378) 5.172 10.813 ( -3.212 4.180 -1.543) 5.493 10.919 ( 3.135 3.777 -3.322) 5.927 10.970 ( -2.636 2.467 -3.107) 4.764 11.446 ( 0.121 -4.612 3.221) 5.627 11.448 ( -0.161 -4.957 2.971) 5.782 11.556 ( 1.213 -3.498 0.671) 3.763 11.576 ( -1.038 -3.834 0.656) 4.026 11.932 ( -0.000 2.614 7.220) 7.679 11.934 ( -0.139 2.214 7.000) 7.343 11.968 ( 2.240 2.117 8.019) 8.591 12.013 ( -2.685 2.597 8.536) 9.317 12.340 ( 3.062 5.581 3.152) 7.104 12.390 ( -2.307 3.634 1.529) 4.568 12.485 ( -0.069 2.482 4.588) 5.216 12.488 ( -0.224 0.763 4.428) 4.499 13.113 ( 2.313 5.076 5.911) 8.127 13.156 ( -2.280 5.168 4.313) 7.107 13.885 ( 1.124 -1.554 -14.425) 14.552 13.905 ( -1.036 -1.936 -15.031) 15.191 ======================= Grid point 144 (55/80) ======================= q-point: ( 0.00 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 0.000 20.130 7.983) 21.655 2.485 ( 0.000 14.932 9.992) 17.967 2.755 ( 0.000 24.384 16.326) 29.344 2.801 ( 0.000 19.144 12.115) 22.655 3.093 ( 0.000 14.862 12.816) 19.625 3.154 ( 0.000 12.075 16.158) 20.171 3.292 ( 0.000 9.296 -1.514) 9.419 3.419 ( 0.000 18.482 -1.196) 18.520 3.551 ( 0.000 6.805 2.310) 7.187 3.653 ( 0.000 14.850 -3.854) 15.342 3.771 ( 0.000 19.932 -2.491) 20.087 3.867 ( 0.000 20.311 -6.215) 21.240 3.885 ( 0.000 16.283 5.267) 17.114 4.113 ( 0.000 22.132 0.694) 22.142 4.235 ( 0.000 22.077 -6.994) 23.158 4.306 ( 0.000 21.693 -4.358) 22.127 4.439 ( 0.000 17.221 -1.310) 17.271 4.452 ( 0.000 16.616 -1.432) 16.677 4.605 ( 0.000 16.050 6.214) 17.210 4.772 ( 0.000 13.248 -0.060) 13.248 4.811 ( 0.000 16.754 8.343) 18.716 5.081 ( 0.000 0.972 0.599) 1.142 5.120 ( 0.000 5.994 0.724) 6.038 5.347 ( 0.000 2.351 -2.447) 3.394 7.561 ( 0.000 1.509 2.268) 2.724 7.564 ( 0.000 8.264 1.932) 8.487 7.766 ( 0.000 -1.990 -1.250) 2.349 7.805 ( 0.000 0.346 -2.137) 2.165 8.124 ( 0.000 5.460 -8.932) 10.469 8.242 ( 0.000 -4.973 -10.714) 11.812 8.541 ( 0.000 -7.762 -3.355) 8.456 8.561 ( 0.000 -11.989 -3.201) 12.409 8.828 ( 0.000 -4.933 3.765) 6.206 8.956 ( 0.000 -4.095 3.359) 5.297 9.001 ( 0.000 -2.506 -1.775) 3.071 9.064 ( 0.000 -5.328 -1.915) 5.662 9.424 ( 0.000 4.653 3.125) 5.605 9.504 ( 0.000 -5.459 3.724) 6.608 9.622 ( 0.000 -1.930 -0.993) 2.171 9.694 ( 0.000 -5.606 -0.394) 5.620 9.872 ( 0.000 -1.682 3.786) 4.143 9.893 ( 0.000 -1.623 0.873) 1.843 9.943 ( 0.000 -5.996 6.346) 8.731 10.047 ( 0.000 -3.132 5.896) 6.676 10.099 ( 0.000 -0.881 -2.992) 3.119 10.140 ( 0.000 -2.282 -2.675) 3.516 10.177 ( 0.000 0.364 -0.586) 0.690 10.226 ( 0.000 -2.511 -2.018) 3.221 10.443 ( 0.000 3.254 1.359) 3.526 10.520 ( 0.000 2.098 1.146) 2.391 10.615 ( 0.000 -1.675 -0.086) 1.677 10.669 ( 0.000 0.799 -0.547) 0.969 10.816 ( 0.000 3.823 -1.743) 4.202 10.913 ( 0.000 2.156 -1.749) 2.776 10.973 ( 0.000 4.101 -6.618) 7.785 11.039 ( 0.000 2.106 -5.367) 5.765 11.356 ( 0.000 -4.085 3.236) 5.211 11.372 ( 0.000 -2.779 3.269) 4.291 11.485 ( 0.000 -2.325 -0.269) 2.341 11.515 ( 0.000 -2.817 -0.259) 2.829 11.952 ( 0.000 -0.419 3.929) 3.951 11.966 ( 0.000 0.125 4.381) 4.383 11.986 ( 0.000 2.738 6.776) 7.308 12.096 ( 0.000 2.804 4.878) 5.627 12.435 ( 0.000 0.533 3.801) 3.839 12.442 ( 0.000 6.726 5.581) 8.740 12.475 ( 0.000 -1.294 5.690) 5.835 12.600 ( 0.000 5.626 5.521) 7.883 13.190 ( 0.000 4.632 5.810) 7.431 13.275 ( 0.000 4.277 3.841) 5.748 13.831 ( 0.000 -3.137 -12.385) 12.776 13.855 ( 0.000 -3.969 -13.200) 13.784 ======================= Grid point 145 (56/80) ======================= q-point: ( 0.33 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 3.669 18.758 8.428) 20.889 2.480 ( -1.377 15.492 9.080) 18.010 2.729 ( -0.624 23.980 15.875) 28.765 2.767 ( -3.832 20.756 13.640) 25.130 3.090 ( 3.156 14.823 12.660) 19.748 3.189 ( -7.521 12.914 5.183) 15.817 3.276 ( 9.799 10.542 10.438) 17.779 3.437 ( -7.928 9.679 4.589) 13.326 3.544 ( 7.251 14.523 -3.305) 16.566 3.650 ( -3.403 12.052 -5.840) 13.818 3.796 ( 2.541 20.943 -3.317) 21.356 3.838 ( -2.011 22.277 -4.784) 22.874 3.944 ( 5.679 15.795 4.063) 17.270 4.053 ( -6.131 18.673 2.161) 19.772 4.246 ( 1.340 22.501 -6.216) 23.383 4.279 ( -2.365 22.685 -4.742) 23.296 4.464 ( 1.816 18.755 -1.487) 18.902 4.473 ( 1.213 18.664 -2.515) 18.872 4.618 ( 2.450 14.284 5.810) 15.613 4.693 ( -5.547 14.843 3.602) 16.250 4.887 ( 5.462 11.858 4.717) 13.882 4.985 ( -6.179 6.605 2.920) 9.505 5.222 ( 6.492 2.770 -1.129) 7.148 5.313 ( -3.926 2.404 -2.140) 5.077 7.562 ( 0.130 3.343 2.136) 3.969 7.564 ( -0.051 6.373 2.021) 6.686 7.772 ( 0.712 -1.022 -1.511) 1.958 7.790 ( -1.345 0.332 -1.987) 2.422 8.162 ( 3.654 2.270 -9.285) 10.233 8.220 ( -2.607 -2.878 -10.226) 10.938 8.543 ( 0.314 -8.609 -3.292) 9.223 8.553 ( -0.756 -10.811 -3.230) 11.309 8.847 ( 2.219 -3.981 3.538) 5.770 8.901 ( -3.981 -2.834 2.977) 5.722 9.036 ( 2.014 -4.593 -1.435) 5.217 9.058 ( -0.731 -5.286 -1.838) 5.644 9.448 ( 2.430 2.044 3.416) 4.664 9.488 ( -1.892 -3.107 3.769) 5.238 9.638 ( 1.847 -2.684 -0.973) 3.400 9.675 ( -2.043 -4.633 -0.619) 5.101 9.877 ( 0.501 -1.650 3.019) 3.477 9.887 ( -0.607 -1.750 1.749) 2.547 9.967 ( 2.590 -5.350 6.025) 8.464 10.018 ( -2.905 -4.099 5.765) 7.647 10.119 ( 1.821 -0.881 -2.575) 3.274 10.142 ( -0.399 -1.999 -2.490) 3.218 10.177 ( 0.573 -0.069 -1.042) 1.191 10.204 ( -2.060 -1.805 -1.844) 3.302 10.464 ( 2.137 2.598 1.371) 3.632 10.502 ( -1.965 2.006 1.277) 3.085 10.631 ( 1.599 -0.819 -0.242) 1.813 10.657 ( -1.298 0.339 -0.455) 1.417 10.838 ( 2.363 3.473 -1.867) 4.597 10.884 ( -2.694 2.807 -1.998) 4.374 10.993 ( 1.866 3.316 -6.089) 7.180 11.025 ( -1.564 2.509 -5.618) 6.349 11.359 ( 0.392 -3.757 3.317) 5.027 11.367 ( -0.471 -3.106 3.332) 4.579 11.494 ( 0.894 -2.438 -0.282) 2.612 11.509 ( -0.707 -2.687 -0.271) 2.792 11.954 ( 0.281 -0.182 4.184) 4.198 11.960 ( -0.444 0.146 4.421) 4.445 12.013 ( 2.801 2.588 6.177) 7.260 12.066 ( -3.053 2.763 5.405) 6.795 12.437 ( 0.269 0.943 3.754) 3.879 12.442 ( -0.223 2.303 4.002) 4.622 12.508 ( 3.444 3.091 6.651) 8.103 12.569 ( -3.239 5.162 6.043) 8.582 13.212 ( 2.355 4.567 5.257) 7.351 13.255 ( -2.201 4.387 4.285) 6.516 13.837 ( 0.673 -3.354 -12.598) 13.054 13.849 ( -0.611 -3.770 -13.005) 13.554 ======================= Grid point 147 (57/80) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 0.000 17.267 7.609) 18.869 2.816 ( 0.000 21.317 4.171) 21.722 3.196 ( 0.000 19.680 8.560) 21.461 3.234 ( 0.000 21.515 11.595) 24.441 3.360 ( 0.000 12.967 10.765) 16.853 3.399 ( 0.000 12.586 11.971) 17.370 3.535 ( 0.000 14.994 -0.350) 14.998 3.653 ( 0.000 8.889 0.420) 8.899 3.687 ( 0.000 7.554 1.108) 7.635 3.868 ( 0.000 9.758 -6.438) 11.690 4.167 ( 0.000 12.251 4.648) 13.103 4.252 ( 0.000 16.327 -5.560) 17.248 4.309 ( 0.000 20.937 -1.710) 21.006 4.501 ( 0.000 20.858 3.748) 21.193 4.578 ( 0.000 10.882 -5.102) 12.018 4.726 ( 0.000 17.806 -4.526) 18.372 4.799 ( 0.000 20.463 -0.523) 20.470 4.804 ( 0.000 19.220 -1.548) 19.282 4.989 ( 0.000 20.526 6.149) 21.428 5.091 ( 0.000 16.808 -0.368) 16.812 5.135 ( 0.000 7.619 0.064) 7.619 5.234 ( 0.000 21.359 4.952) 21.925 5.259 ( 0.000 7.986 1.240) 8.081 5.466 ( 0.000 10.382 0.834) 10.415 7.535 ( 0.000 -4.505 0.933) 4.601 7.652 ( 0.000 -9.102 -1.511) 9.227 7.709 ( 0.000 4.645 -0.610) 4.685 7.767 ( 0.000 -4.529 -3.391) 5.658 8.073 ( 0.000 -10.378 -7.976) 13.089 8.184 ( 0.000 -0.573 -8.671) 8.690 8.318 ( 0.000 -11.619 -4.853) 12.591 8.413 ( 0.000 -4.057 -7.751) 8.749 8.743 ( 0.000 -3.511 3.610) 5.036 8.922 ( 0.000 0.643 3.237) 3.300 8.933 ( 0.000 -6.921 -0.517) 6.941 8.975 ( 0.000 -0.444 -0.676) 0.809 9.452 ( 0.000 -0.651 2.610) 2.690 9.458 ( 0.000 -2.319 2.789) 3.627 9.583 ( 0.000 -1.559 1.962) 2.506 9.625 ( 0.000 -1.146 1.487) 1.877 9.817 ( 0.000 -1.215 6.525) 6.637 9.860 ( 0.000 -1.330 1.335) 1.884 9.901 ( 0.000 1.930 3.894) 4.346 10.041 ( 0.000 1.030 5.695) 5.788 10.081 ( 0.000 -0.392 -1.460) 1.511 10.103 ( 0.000 -0.778 -0.188) 0.800 10.184 ( 0.000 -0.585 -2.821) 2.881 10.207 ( 0.000 2.040 -1.293) 2.415 10.497 ( 0.000 1.422 -0.900) 1.683 10.558 ( 0.000 1.563 0.047) 1.564 10.606 ( 0.000 -0.159 -0.471) 0.497 10.683 ( 0.000 -0.021 -0.784) 0.784 10.884 ( 0.000 3.026 -1.856) 3.550 10.944 ( 0.000 1.240 -2.442) 2.739 11.033 ( 0.000 1.877 -7.263) 7.502 11.068 ( 0.000 0.679 -7.172) 7.204 11.303 ( 0.000 -0.710 4.051) 4.113 11.339 ( 0.000 -0.361 3.498) 3.517 11.453 ( 0.000 -1.019 -0.860) 1.333 11.478 ( 0.000 -0.986 -0.786) 1.261 11.931 ( 0.000 -1.379 3.236) 3.517 11.954 ( 0.000 -1.041 3.607) 3.755 12.047 ( 0.000 3.525 4.265) 5.533 12.155 ( 0.000 3.137 1.876) 3.655 12.420 ( 0.000 -2.253 5.779) 6.203 12.438 ( 0.000 -2.255 5.146) 5.618 12.562 ( 0.000 4.946 5.439) 7.352 12.693 ( 0.000 3.333 4.587) 5.670 13.268 ( 0.000 3.045 5.306) 6.118 13.338 ( 0.000 1.964 4.508) 4.917 13.746 ( 0.000 -5.375 -9.813) 11.189 13.754 ( 0.000 -6.104 -10.392) 12.052 ======================= Grid point 148 (58/80) ======================= q-point: ( 0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 0.402 17.665 6.446) 18.809 2.817 ( 0.007 19.557 4.593) 20.089 3.192 ( 0.393 21.795 10.989) 24.412 3.217 ( -1.970 22.199 11.363) 25.016 3.372 ( 2.828 13.841 9.990) 17.302 3.435 ( -1.959 12.283 5.647) 13.660 3.501 ( 2.986 12.522 7.260) 14.779 3.603 ( -6.120 7.506 3.912) 10.445 3.755 ( 6.259 9.905 -4.096) 12.412 3.842 ( -3.442 9.492 -6.130) 11.812 4.196 ( 2.727 12.463 1.486) 12.845 4.236 ( -1.743 14.733 -3.492) 15.242 4.338 ( 3.411 20.592 -0.910) 20.892 4.421 ( -6.029 18.687 1.448) 19.688 4.629 ( 3.694 16.243 -4.565) 17.272 4.692 ( -3.639 17.882 -4.149) 18.714 4.835 ( 5.625 18.408 0.376) 19.252 4.874 ( 4.730 21.424 -1.192) 21.972 4.942 ( -3.536 16.757 4.378) 17.677 5.013 ( -7.861 15.888 0.236) 17.728 5.154 ( 2.713 12.417 2.163) 12.893 5.197 ( -2.136 14.681 3.713) 15.293 5.352 ( 6.170 12.075 1.305) 13.622 5.436 ( -3.498 10.931 0.934) 11.515 7.556 ( 2.387 -4.540 0.635) 5.168 7.609 ( -3.509 -5.270 -0.247) 6.337 7.738 ( 1.980 -0.434 -2.002) 2.849 7.761 ( -0.758 -3.470 -3.053) 4.684 8.092 ( 2.280 -8.583 -7.779) 11.806 8.144 ( -3.487 -4.322 -7.844) 9.611 8.350 ( 2.849 -8.690 -6.266) 11.086 8.394 ( -2.073 -5.505 -7.466) 9.505 8.783 ( 4.376 -2.453 3.796) 6.291 8.868 ( -4.836 -1.166 3.710) 6.205 8.952 ( 1.192 -4.052 -0.997) 4.340 8.969 ( -0.733 -2.126 -0.532) 2.311 9.453 ( 0.181 -0.863 2.698) 2.838 9.457 ( -0.184 -1.430 2.745) 3.101 9.592 ( 1.056 -1.742 1.707) 2.658 9.614 ( -1.239 -1.433 1.472) 2.399 9.843 ( 2.036 -1.024 4.749) 5.267 9.861 ( -0.166 -0.922 2.068) 2.271 9.916 ( 2.414 1.307 4.840) 5.564 9.985 ( -4.774 0.606 5.544) 7.341 10.099 ( 0.855 -0.892 -1.303) 1.796 10.104 ( 0.061 -1.046 -0.607) 1.211 10.190 ( 0.520 0.846 -2.146) 2.364 10.200 ( -0.669 2.030 -1.427) 2.570 10.510 ( 1.469 1.383 -0.640) 2.116 10.539 ( -1.717 1.361 -0.204) 2.200 10.630 ( 2.209 -0.022 -0.507) 2.267 10.666 ( -1.774 -0.047 -0.685) 1.903 10.897 ( 1.494 2.599 -1.990) 3.598 10.927 ( -1.710 1.728 -2.273) 3.328 11.042 ( 0.966 1.514 -7.261) 7.480 11.060 ( -0.904 0.929 -7.244) 7.359 11.312 ( 0.956 -0.602 3.936) 4.095 11.330 ( -0.977 -0.436 3.641) 3.795 11.461 ( 0.763 -0.995 -0.826) 1.502 11.473 ( -0.548 -0.981 -0.790) 1.374 11.936 ( 0.557 -1.292 3.373) 3.655 11.948 ( -0.675 -1.128 3.549) 3.785 12.072 ( 2.738 3.414 3.766) 5.774 12.126 ( -3.013 3.240 2.639) 5.152 12.423 ( 0.358 -2.138 5.383) 5.803 12.431 ( -0.584 -2.058 5.002) 5.440 12.599 ( 3.708 4.346 5.350) 7.827 12.663 ( -3.264 3.643 4.881) 6.911 13.287 ( 1.963 2.752 5.085) 6.106 13.322 ( -1.810 2.217 4.691) 5.495 13.748 ( 0.237 -5.568 -9.964) 11.417 13.752 ( -0.202 -5.932 -10.253) 11.847 ======================= Grid point 150 (59/80) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 0.000 17.264 5.130) 18.010 3.211 ( 0.000 17.631 1.777) 17.720 3.545 ( 0.000 14.144 4.619) 14.880 3.557 ( 0.000 12.363 5.180) 13.404 3.623 ( 0.000 11.990 5.887) 13.357 3.648 ( 0.000 11.714 5.843) 13.091 3.753 ( 0.000 5.292 1.242) 5.436 3.797 ( 0.000 5.094 -0.286) 5.102 3.993 ( 0.000 22.566 1.355) 22.607 4.080 ( 0.000 11.848 -1.136) 11.903 4.379 ( 0.000 9.317 7.906) 12.220 4.500 ( 0.000 9.130 -1.301) 9.223 4.556 ( 0.000 8.724 1.129) 8.796 4.707 ( 0.000 3.237 -1.319) 3.495 4.885 ( 0.000 10.073 -2.713) 10.431 4.933 ( 0.000 2.565 -3.213) 4.111 5.163 ( 0.000 19.563 0.628) 19.573 5.224 ( 0.000 20.275 -1.268) 20.315 5.347 ( 0.000 16.182 2.311) 16.346 5.385 ( 0.000 13.762 -0.377) 13.767 5.427 ( 0.000 18.152 2.077) 18.270 5.506 ( 0.000 15.031 2.032) 15.167 5.627 ( 0.000 16.534 2.936) 16.792 5.706 ( 0.000 11.673 2.005) 11.844 7.388 ( 0.000 -9.339 -1.770) 9.505 7.447 ( 0.000 -10.063 -2.908) 10.475 7.596 ( 0.000 -11.996 -6.208) 13.507 7.645 ( 0.000 -10.754 -7.566) 13.149 7.972 ( 0.000 -0.770 -3.231) 3.321 8.099 ( 0.000 -6.462 -6.858) 9.423 8.140 ( 0.000 -3.847 -2.801) 4.759 8.386 ( 0.000 0.047 -9.539) 9.539 8.668 ( 0.000 -4.315 2.815) 5.152 8.803 ( 0.000 -6.300 0.025) 6.300 8.969 ( 0.000 -0.172 0.752) 0.771 8.969 ( 0.000 3.302 1.651) 3.692 9.399 ( 0.000 -1.567 2.931) 3.324 9.452 ( 0.000 0.967 1.293) 1.615 9.575 ( 0.000 0.280 3.017) 3.030 9.613 ( 0.000 -0.374 3.353) 3.374 9.864 ( 0.000 1.835 1.737) 2.526 9.870 ( 0.000 5.009 4.752) 6.904 9.966 ( 0.000 3.534 3.996) 5.335 10.053 ( 0.000 0.891 1.674) 1.896 10.084 ( 0.000 0.560 -0.103) 0.570 10.128 ( 0.000 2.663 6.329) 6.866 10.198 ( 0.000 1.475 -1.790) 2.319 10.252 ( 0.000 2.122 -0.584) 2.201 10.494 ( 0.000 -1.218 -3.015) 3.252 10.576 ( 0.000 -2.878 -1.460) 3.227 10.576 ( 0.000 -0.187 -1.268) 1.282 10.653 ( 0.000 -3.011 -1.176) 3.233 10.935 ( 0.000 2.058 -2.822) 3.493 10.976 ( 0.000 2.121 -3.115) 3.768 11.057 ( 0.000 0.680 -6.326) 6.362 11.067 ( 0.000 -0.585 -7.934) 7.956 11.331 ( 0.000 2.968 2.806) 4.084 11.359 ( 0.000 2.184 2.993) 3.705 11.439 ( 0.000 -0.424 -1.133) 1.210 11.472 ( 0.000 0.285 -0.782) 0.833 11.909 ( 0.000 -0.537 4.136) 4.170 11.936 ( 0.000 -0.390 4.319) 4.336 12.121 ( 0.000 3.229 4.579) 5.603 12.211 ( 0.000 1.380 3.467) 3.732 12.360 ( 0.000 -2.540 2.828) 3.802 12.396 ( 0.000 -0.968 1.256) 1.585 12.632 ( 0.000 1.932 3.565) 4.055 12.722 ( 0.000 -0.551 2.162) 2.232 13.312 ( 0.000 1.490 5.265) 5.472 13.356 ( 0.000 0.018 5.216) 5.216 13.616 ( 0.000 -7.473 -6.738) 10.062 13.621 ( 0.000 -6.867 -6.044) 9.148 ======================= Grid point 151 (60/80) ======================= q-point: ( 0.33 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 1.062 17.326 4.265) 17.875 3.192 ( -1.728 17.510 2.648) 17.793 3.559 ( 0.309 13.164 5.999) 14.470 3.564 ( 0.294 13.439 5.650) 14.581 3.632 ( 3.215 10.810 3.837) 11.913 3.671 ( 0.877 10.835 4.154) 11.638 3.737 ( -1.225 6.747 2.491) 7.296 3.759 ( -3.649 9.040 1.947) 9.941 4.015 ( 2.563 17.818 0.072) 18.002 4.061 ( -2.217 13.134 -1.044) 13.360 4.408 ( 2.960 9.319 5.893) 11.416 4.463 ( -3.219 9.262 1.962) 10.000 4.597 ( 3.689 8.076 -0.521) 8.894 4.666 ( -4.011 5.916 -0.920) 7.207 4.902 ( 1.626 6.925 -3.548) 7.950 4.927 ( -0.972 3.770 -3.422) 5.184 5.195 ( 3.465 19.115 1.331) 19.472 5.238 ( 0.220 18.211 0.635) 18.223 5.313 ( -1.591 18.429 0.080) 18.498 5.344 ( -3.654 16.378 -0.746) 16.797 5.460 ( 2.598 16.524 2.586) 16.926 5.495 ( -1.366 15.406 2.587) 15.681 5.653 ( 2.474 14.565 2.430) 14.973 5.691 ( -1.724 12.390 2.083) 12.681 7.401 ( 1.411 -9.605 -1.996) 9.911 7.430 ( -1.691 -9.993 -2.538) 10.448 7.610 ( 1.372 -11.620 -6.735) 13.500 7.634 ( -1.249 -10.943 -7.398) 13.268 7.991 ( 2.735 -1.956 -2.749) 4.343 8.060 ( -4.478 -1.354 -2.872) 5.490 8.196 ( 6.563 -7.150 -7.401) 12.206 8.319 ( -6.831 -2.941 -8.987) 11.665 8.732 ( 6.349 -2.686 3.056) 7.540 8.815 ( -1.077 -3.066 2.179) 3.912 8.930 ( -1.736 -0.384 -0.488) 1.844 8.950 ( -2.327 0.616 0.249) 2.420 9.425 ( 2.304 -0.626 2.510) 3.464 9.451 ( -0.527 0.810 1.742) 1.992 9.577 ( 0.660 0.035 3.011) 3.083 9.599 ( -1.463 -0.175 3.108) 3.440 9.867 ( 0.622 2.277 2.494) 3.434 9.876 ( -0.025 3.388 3.190) 4.654 9.976 ( 1.639 3.396 4.700) 6.026 10.020 ( -3.021 2.245 3.749) 5.312 10.095 ( 0.904 0.817 0.442) 1.296 10.112 ( -1.199 1.832 2.883) 3.620 10.221 ( 1.860 1.766 -0.681) 2.653 10.245 ( -0.889 2.113 -0.607) 2.372 10.511 ( 1.742 -1.104 -2.639) 3.349 10.544 ( -2.035 -1.041 -1.924) 2.988 10.607 ( 1.908 -2.391 -1.142) 3.265 10.638 ( -1.616 -2.902 -1.159) 3.518 10.945 ( 1.053 2.155 -2.835) 3.713 10.965 ( -1.119 2.192 -2.977) 3.863 11.059 ( 0.283 0.367 -6.755) 6.771 11.064 ( -0.260 -0.271 -7.553) 7.563 11.337 ( 0.695 2.707 2.782) 3.943 11.351 ( -0.794 2.294 2.831) 3.729 11.450 ( 1.019 -0.190 -0.958) 1.411 11.466 ( -0.732 0.145 -0.816) 1.106 11.915 ( 0.672 -0.504 4.219) 4.302 11.928 ( -0.810 -0.434 4.308) 4.405 12.143 ( 2.308 2.845 4.335) 5.676 12.187 ( -2.515 1.947 3.801) 4.956 12.368 ( 0.908 -2.185 2.418) 3.384 12.386 ( -1.027 -1.424 1.671) 2.424 12.657 ( 2.585 1.297 3.131) 4.262 12.702 ( -2.240 0.074 2.457) 3.325 13.323 ( 1.217 1.084 5.249) 5.496 13.345 ( -1.149 0.354 5.225) 5.362 13.617 ( 0.138 -7.329 -6.568) 9.843 13.620 ( -0.132 -7.027 -6.221) 9.386 ======================= Grid point 153 (61/80) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( 0.000 14.331 2.429) 14.536 3.509 ( 0.000 12.292 0.898) 12.325 3.740 ( 0.000 4.768 1.260) 4.932 3.762 ( 0.000 7.773 1.287) 7.879 3.787 ( 0.000 1.354 0.617) 1.488 3.821 ( 0.000 4.249 1.185) 4.411 3.824 ( 0.000 4.520 1.887) 4.899 3.854 ( 0.000 2.103 -0.395) 2.139 4.338 ( 0.000 13.104 3.493) 13.562 4.424 ( 0.000 18.329 0.676) 18.341 4.549 ( 0.000 7.809 7.644) 10.927 4.629 ( 0.000 3.413 1.513) 3.733 4.696 ( 0.000 4.853 2.059) 5.272 4.737 ( 0.000 0.431 2.987) 3.018 4.898 ( 0.000 -4.097 1.313) 4.303 4.956 ( 0.000 -0.968 -0.648) 1.165 5.518 ( 0.000 13.420 -0.297) 13.424 5.553 ( 0.000 11.578 -1.101) 11.630 5.618 ( 0.000 9.919 -0.015) 9.919 5.628 ( 0.000 9.267 -0.743) 9.297 5.735 ( 0.000 11.953 2.652) 12.244 5.766 ( 0.000 10.200 2.009) 10.396 5.866 ( 0.000 7.119 2.120) 7.428 5.882 ( 0.000 5.300 2.228) 5.749 7.224 ( 0.000 -5.584 -4.712) 7.306 7.286 ( 0.000 -5.358 -5.088) 7.389 7.348 ( 0.000 -11.010 -8.220) 13.740 7.414 ( 0.000 -10.841 -7.600) 13.240 7.920 ( 0.000 -2.587 -4.467) 5.163 7.976 ( 0.000 -5.130 -6.082) 7.957 8.185 ( 0.000 5.264 -2.628) 5.883 8.366 ( 0.000 -2.626 -7.952) 8.374 8.594 ( 0.000 -2.118 1.608) 2.659 8.679 ( 0.000 -5.707 -0.393) 5.721 8.979 ( 0.000 1.350 2.087) 2.485 9.020 ( 0.000 1.201 0.696) 1.388 9.421 ( 0.000 3.390 3.192) 4.656 9.499 ( 0.000 3.346 1.424) 3.636 9.566 ( 0.000 -1.534 3.026) 3.392 9.604 ( 0.000 -0.876 3.366) 3.478 9.917 ( 0.000 2.872 1.773) 3.375 9.962 ( 0.000 2.245 1.806) 2.881 10.028 ( 0.000 4.449 2.708) 5.209 10.094 ( 0.000 2.365 5.828) 6.290 10.098 ( 0.000 0.650 1.117) 1.292 10.187 ( 0.000 3.057 6.378) 7.073 10.213 ( 0.000 -0.754 1.025) 1.272 10.282 ( 0.000 0.415 1.292) 1.357 10.474 ( 0.000 -0.168 -4.320) 4.323 10.507 ( 0.000 -2.714 -2.582) 3.746 10.553 ( 0.000 -2.177 -2.570) 3.368 10.572 ( 0.000 -4.502 -1.643) 4.793 10.975 ( 0.000 2.124 -4.990) 5.423 11.018 ( 0.000 1.842 -4.605) 4.960 11.046 ( 0.000 -1.113 -8.042) 8.118 11.065 ( 0.000 -0.275 -6.481) 6.487 11.393 ( 0.000 2.688 0.842) 2.817 11.417 ( 0.000 3.185 2.413) 3.996 11.435 ( 0.000 -0.111 -0.733) 0.741 11.479 ( 0.000 0.113 -0.176) 0.209 11.925 ( 0.000 2.487 6.127) 6.612 11.953 ( 0.000 2.342 6.159) 6.589 12.119 ( 0.000 -3.963 8.753) 9.609 12.155 ( 0.000 -5.953 8.798) 10.623 12.391 ( 0.000 5.733 -4.422) 7.240 12.449 ( 0.000 5.662 -4.806) 7.427 12.633 ( 0.000 -2.052 -0.047) 2.052 12.670 ( 0.000 -4.425 -1.281) 4.607 13.336 ( 0.000 1.234 5.174) 5.319 13.354 ( 0.000 0.296 4.930) 4.939 13.471 ( 0.000 -6.532 -1.896) 6.802 13.487 ( 0.000 -6.137 -1.269) 6.267 ======================= Grid point 154 (62/80) ======================= q-point: ( 0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 0.748 14.068 2.043) 14.235 3.500 ( -0.886 13.096 1.292) 13.189 3.753 ( 1.235 4.930 1.138) 5.208 3.761 ( 0.080 6.404 1.445) 6.565 3.779 ( -0.668 3.054 1.526) 3.479 3.789 ( -1.746 3.254 1.269) 3.905 3.851 ( 1.256 3.372 0.609) 3.650 3.860 ( 0.217 2.724 -0.287) 2.748 4.352 ( 1.646 14.419 3.345) 14.893 4.392 ( -2.827 16.778 2.377) 17.180 4.576 ( 2.388 7.037 4.882) 8.892 4.614 ( -1.842 5.135 2.517) 6.008 4.705 ( 1.459 3.089 2.625) 4.308 4.732 ( -1.068 2.421 3.402) 4.310 4.911 ( 1.483 -3.543 0.398) 3.862 4.941 ( -1.652 -1.880 -0.424) 2.538 5.536 ( 1.901 12.949 -0.186) 13.089 5.558 ( 0.068 11.957 -0.619) 11.973 5.603 ( -0.954 9.987 -0.393) 10.040 5.612 ( -1.458 9.586 -0.771) 9.727 5.749 ( 1.201 11.470 2.432) 11.787 5.764 ( -0.436 10.665 2.144) 10.887 5.869 ( 0.362 6.475 2.119) 6.823 5.877 ( -0.512 5.592 2.171) 6.021 7.236 ( 1.377 -5.569 -4.758) 7.453 7.266 ( -1.919 -5.476 -4.925) 7.610 7.364 ( 1.717 -11.098 -8.226) 13.920 7.397 ( -1.844 -11.063 -7.962) 13.755 7.958 ( 5.351 -0.603 -3.453) 6.397 8.067 ( 7.983 -5.470 -6.434) 11.621 8.089 ( -7.604 2.522 -2.891) 8.517 8.245 ( -10.767 -4.594 -7.205) 13.746 8.704 ( 9.828 0.376 1.833) 10.004 8.775 ( 6.456 -1.286 0.306) 6.590 8.912 ( -5.552 -0.558 0.790) 5.635 8.959 ( -6.392 -0.607 -0.232) 6.425 9.451 ( 2.882 3.140 2.989) 5.206 9.492 ( -1.382 3.044 2.087) 3.941 9.573 ( 0.989 -0.993 3.074) 3.378 9.594 ( -1.112 -0.839 3.162) 3.456 9.929 ( 1.681 3.587 2.008) 4.441 9.965 ( -1.402 4.452 1.977) 5.069 10.016 ( 0.958 0.862 2.683) 2.977 10.057 ( -2.777 0.979 2.590) 3.922 10.131 ( 2.270 2.625 4.545) 5.718 10.168 ( -1.853 3.274 5.603) 6.749 10.241 ( 2.350 -0.321 1.229) 2.672 10.273 ( -1.191 0.176 1.225) 1.718 10.486 ( 1.147 -0.797 -3.859) 4.104 10.503 ( -0.655 -2.137 -2.983) 3.728 10.553 ( 0.175 -2.733 -2.316) 3.587 10.563 ( -0.867 -3.976 -1.838) 4.465 10.986 ( 1.190 2.049 -4.909) 5.451 11.008 ( -1.132 1.901 -4.741) 5.232 11.052 ( 0.532 -0.866 -7.608) 7.676 11.061 ( -0.457 -0.460 -6.850) 6.881 11.397 ( 0.468 2.798 1.148) 3.060 11.407 ( -0.714 2.952 1.747) 3.504 11.449 ( 1.298 -0.003 -0.327) 1.339 11.470 ( -0.993 0.013 -0.233) 1.020 11.931 ( 0.693 2.475 6.171) 6.684 11.945 ( -0.812 2.400 6.187) 6.686 12.128 ( 0.990 -4.463 8.735) 9.859 12.146 ( -0.968 -5.462 8.753) 10.363 12.404 ( 1.445 5.776 -4.418) 7.414 12.433 ( -1.663 5.750 -4.587) 7.542 12.645 ( 1.137 -2.708 -0.457) 2.973 12.663 ( -0.850 -3.882 -1.045) 4.109 13.341 ( 0.458 0.990 5.103) 5.218 13.349 ( -0.463 0.520 4.981) 5.029 13.475 ( 0.422 -6.428 -1.732) 6.670 13.483 ( -0.418 -6.230 -1.419) 6.403 ======================= Grid point 156 (63/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 0.000 -4.841 0.058) 4.841 3.702 ( 0.000 4.841 0.058) 4.841 3.709 ( 0.000 -6.092 0.341) 6.102 3.709 ( 0.000 6.092 0.341) 6.102 3.850 ( 0.000 -0.939 0.883) 1.289 3.850 ( 0.000 0.939 0.883) 1.289 3.886 ( 0.000 -0.589 0.114) 0.600 3.886 ( 0.000 0.589 0.114) 0.600 4.549 ( 0.000 -6.384 2.771) 6.960 4.549 ( 0.000 6.384 2.771) 6.960 4.681 ( 0.000 -3.222 2.341) 3.983 4.681 ( 0.000 3.222 2.341) 3.983 4.726 ( 0.000 -1.415 3.753) 4.011 4.726 ( 0.000 1.415 3.753) 4.011 4.881 ( 0.000 -4.316 3.685) 5.675 4.881 ( 0.000 4.316 3.685) 5.675 5.662 ( 0.000 -0.840 -0.691) 1.088 5.662 ( 0.000 0.840 -0.691) 1.088 5.722 ( 0.000 -0.257 -0.612) 0.663 5.722 ( 0.000 0.257 -0.612) 0.663 5.880 ( 0.000 -1.022 2.030) 2.273 5.880 ( 0.000 1.022 2.030) 2.273 5.919 ( 0.000 -0.193 2.260) 2.268 5.919 ( 0.000 0.193 2.260) 2.268 7.199 ( 0.000 -3.319 -7.129) 7.863 7.199 ( 0.000 3.319 -7.129) 7.863 7.262 ( 0.000 -3.450 -6.976) 7.782 7.262 ( 0.000 3.450 -6.976) 7.782 7.908 ( 0.000 -1.501 -5.270) 5.480 7.908 ( 0.000 1.501 -5.270) 5.480 8.288 ( 0.000 -4.716 -5.036) 6.900 8.288 ( 0.000 4.716 -5.036) 6.900 8.596 ( 0.000 -2.259 -0.044) 2.259 8.596 ( 0.000 2.259 -0.044) 2.259 9.013 ( 0.000 -1.562 1.553) 2.202 9.013 ( 0.000 1.562 1.553) 2.202 9.504 ( 0.000 -4.082 3.180) 5.174 9.504 ( 0.000 4.082 3.180) 5.174 9.568 ( 0.000 -2.697 2.417) 3.621 9.568 ( 0.000 2.697 2.417) 3.621 9.961 ( 0.000 -1.397 1.161) 1.817 9.961 ( 0.000 1.397 1.161) 1.817 10.101 ( 0.000 -0.730 1.620) 1.777 10.101 ( 0.000 0.730 1.620) 1.777 10.156 ( 0.000 -4.523 5.669) 7.252 10.156 ( 0.000 4.523 5.669) 7.252 10.250 ( 0.000 -3.114 3.936) 5.019 10.250 ( 0.000 3.114 3.936) 5.019 10.498 ( 0.000 -2.292 -3.468) 4.157 10.498 ( 0.000 2.292 -3.468) 4.157 10.504 ( 0.000 -1.810 -3.066) 3.561 10.504 ( 0.000 1.810 -3.066) 3.561 11.017 ( 0.000 -1.900 -7.026) 7.278 11.017 ( 0.000 1.900 -7.026) 7.278 11.048 ( 0.000 -1.232 -6.394) 6.512 11.048 ( 0.000 1.232 -6.394) 6.512 11.428 ( 0.000 -0.840 0.072) 0.843 11.428 ( 0.000 0.840 0.072) 0.843 11.466 ( 0.000 -1.564 0.951) 1.830 11.466 ( 0.000 1.564 0.951) 1.830 12.010 ( 0.000 -5.691 8.084) 9.886 12.010 ( 0.000 5.691 8.084) 9.886 12.033 ( 0.000 -5.485 8.050) 9.741 12.033 ( 0.000 5.485 8.050) 9.741 12.533 ( 0.000 -7.279 -3.967) 8.290 12.533 ( 0.000 7.279 -3.967) 8.290 12.570 ( 0.000 -5.616 -4.211) 7.019 12.570 ( 0.000 5.616 -4.211) 7.019 13.373 ( 0.000 -3.071 3.114) 4.374 13.373 ( 0.000 3.071 3.114) 4.374 13.390 ( 0.000 -3.403 2.743) 4.371 13.390 ( 0.000 3.403 2.743) 4.371 ======================= Grid point 158 (64/80) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( 0.284 -5.261 0.111) 5.269 3.705 ( 0.284 5.261 0.111) 5.269 3.709 ( -0.110 -5.925 0.245) 5.931 3.709 ( -0.110 5.925 0.245) 5.931 3.857 ( 0.829 -1.543 0.745) 1.904 3.857 ( 0.829 1.543 0.745) 1.904 3.875 ( -1.097 -1.562 0.359) 1.942 3.875 ( -1.097 1.562 0.359) 1.942 4.570 ( 2.393 -5.896 2.683) 6.905 4.570 ( 2.393 5.896 2.683) 6.905 4.624 ( -3.866 -4.881 2.614) 6.753 4.624 ( -3.866 4.881 2.614) 6.753 4.788 ( 4.490 -3.876 3.533) 6.904 4.788 ( 4.490 3.876 3.533) 6.904 4.854 ( -2.982 -4.210 3.641) 6.315 4.854 ( -2.982 4.210 3.641) 6.315 5.676 ( 1.519 -0.688 -0.631) 1.783 5.676 ( 1.519 0.688 -0.631) 1.783 5.706 ( -1.689 -0.397 -0.580) 1.829 5.706 ( -1.689 0.397 -0.580) 1.829 5.892 ( 1.164 -0.865 2.047) 2.508 5.892 ( 1.164 0.865 2.047) 2.508 5.911 ( -0.921 -0.495 2.174) 2.412 5.911 ( -0.921 0.495 2.174) 2.412 7.212 ( 1.434 -3.400 -7.112) 8.012 7.212 ( 1.434 3.400 -7.112) 8.012 7.243 ( -1.910 -3.489 -7.039) 8.085 7.243 ( -1.910 3.489 -7.039) 8.085 7.981 ( 8.060 -2.869 -5.059) 9.939 7.981 ( 8.060 2.869 -5.059) 9.939 8.154 ( -11.332 -4.077 -4.737) 12.941 8.154 ( -11.332 4.077 -4.737) 12.941 8.738 ( 12.130 -2.412 -0.081) 12.368 8.738 ( 12.130 2.412 -0.081) 12.368 8.928 ( -9.186 -1.906 0.896) 9.425 8.928 ( -9.186 1.906 0.896) 9.425 9.526 ( 2.015 -3.557 3.077) 5.117 9.526 ( 2.015 3.557 3.077) 5.117 9.556 ( -1.347 -2.865 2.673) 4.144 9.556 ( -1.347 2.865 2.673) 4.144 9.988 ( 2.951 -1.795 1.630) 3.819 9.988 ( 2.951 1.795 1.630) 3.819 10.050 ( -4.054 -1.724 2.323) 4.981 10.050 ( -4.054 1.724 2.323) 4.981 10.197 ( 2.888 -3.600 4.457) 6.416 10.197 ( 2.888 3.600 4.457) 6.416 10.236 ( -1.634 -3.338 4.053) 5.499 10.236 ( -1.634 3.338 4.053) 5.499 10.499 ( 0.112 -1.949 -3.371) 3.896 10.499 ( 0.112 1.949 -3.371) 3.896 10.502 ( -0.199 -1.703 -3.167) 3.601 10.502 ( -0.199 1.703 -3.167) 3.601 11.026 ( 0.855 -1.734 -6.891) 7.157 11.026 ( 0.855 1.734 -6.891) 7.157 11.041 ( -0.782 -1.399 -6.576) 6.768 11.041 ( -0.782 1.399 -6.576) 6.768 11.437 ( 1.020 -1.078 0.306) 1.516 11.437 ( 1.020 1.078 0.306) 1.516 11.457 ( -1.045 -1.437 0.743) 1.926 11.457 ( -1.045 1.437 0.743) 1.926 12.016 ( 0.592 -5.652 8.081) 9.879 12.016 ( 0.592 5.652 8.081) 9.879 12.027 ( -0.623 -5.553 8.064) 9.811 12.027 ( -0.623 5.553 8.064) 9.811 12.543 ( 1.015 -6.928 -4.017) 8.072 12.543 ( 1.015 6.928 -4.017) 8.072 12.561 ( -0.977 -6.105 -4.139) 7.440 12.561 ( -0.977 6.105 -4.139) 7.440 13.377 ( 0.450 -3.161 3.015) 4.392 13.377 ( 0.450 3.161 3.015) 4.392 13.386 ( -0.442 -3.327 2.830) 4.390 13.386 ( -0.442 3.327 2.830) 4.390 ======================= Grid point 180 (65/80) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 0.000 15.938) 15.938 2.066 ( 0.000 0.000 -5.938) 5.938 2.128 ( 0.000 0.000 14.563) 14.563 2.372 ( 0.000 0.000 20.589) 20.589 2.374 ( 0.000 0.000 -9.014) 9.014 2.555 ( 0.000 0.000 21.123) 21.123 2.641 ( 0.000 0.000 -4.649) 4.649 2.910 ( 0.000 0.000 2.588) 2.588 2.934 ( 0.000 0.000 -15.630) 15.630 3.013 ( 0.000 0.000 -8.441) 8.441 3.158 ( 0.000 0.000 0.646) 0.646 3.208 ( 0.000 0.000 -5.752) 5.752 3.377 ( 0.000 0.000 3.269) 3.269 3.465 ( 0.000 0.000 -4.751) 4.751 3.568 ( 0.000 0.000 4.813) 4.813 3.629 ( 0.000 0.000 -0.424) 0.424 3.658 ( 0.000 0.000 7.096) 7.096 3.733 ( 0.000 0.000 -1.101) 1.101 4.365 ( 0.000 0.000 6.813) 6.813 4.453 ( 0.000 0.000 -2.317) 2.317 4.754 ( 0.000 0.000 10.008) 10.008 4.917 ( 0.000 0.000 -5.763) 5.763 5.122 ( 0.000 0.000 2.807) 2.807 5.214 ( 0.000 0.000 -5.987) 5.987 7.324 ( 0.000 0.000 3.861) 3.861 7.395 ( 0.000 0.000 -2.918) 2.918 7.665 ( 0.000 0.000 -1.152) 1.152 7.673 ( 0.000 0.000 -1.426) 1.426 7.841 ( 0.000 0.000 5.950) 5.950 8.023 ( 0.000 0.000 -11.256) 11.256 8.950 ( 0.000 0.000 5.299) 5.299 8.975 ( 0.000 0.000 2.149) 2.149 8.978 ( 0.000 0.000 1.854) 1.854 9.053 ( 0.000 0.000 -5.220) 5.220 9.108 ( 0.000 0.000 -1.142) 1.142 9.109 ( 0.000 0.000 -1.252) 1.252 9.532 ( 0.000 0.000 4.523) 4.523 9.646 ( 0.000 0.000 -6.682) 6.682 9.946 ( 0.000 0.000 1.745) 1.745 9.971 ( 0.000 0.000 -0.765) 0.765 9.990 ( 0.000 0.000 1.227) 1.227 9.998 ( 0.000 0.000 0.233) 0.233 10.016 ( 0.000 0.000 -2.343) 2.343 10.050 ( 0.000 0.000 -3.916) 3.916 10.125 ( 0.000 0.000 -0.038) 0.038 10.125 ( 0.000 0.000 0.097) 0.097 10.277 ( 0.000 0.000 3.258) 3.258 10.329 ( 0.000 0.000 -2.018) 2.018 10.488 ( 0.000 0.000 3.541) 3.541 10.522 ( 0.000 0.000 4.902) 4.902 10.577 ( 0.000 0.000 -5.162) 5.162 10.638 ( 0.000 0.000 -6.350) 6.350 10.641 ( 0.000 0.000 3.393) 3.393 10.693 ( 0.000 0.000 -1.665) 1.665 10.943 ( 0.000 0.000 5.300) 5.300 11.013 ( 0.000 0.000 -1.659) 1.659 11.647 ( 0.000 0.000 1.982) 1.982 11.666 ( 0.000 0.000 0.225) 0.225 11.681 ( 0.000 0.000 2.683) 2.683 11.715 ( 0.000 0.000 -0.515) 0.515 12.003 ( 0.000 0.000 9.175) 9.175 12.029 ( 0.000 0.000 7.610) 7.610 12.040 ( 0.000 0.000 4.877) 4.877 12.116 ( 0.000 0.000 1.040) 1.040 12.190 ( 0.000 0.000 0.280) 0.280 12.254 ( 0.000 0.000 -6.196) 6.196 12.415 ( 0.000 0.000 0.993) 0.993 12.454 ( 0.000 0.000 -3.112) 3.112 13.217 ( 0.000 0.000 16.555) 16.555 13.246 ( 0.000 0.000 14.384) 14.384 13.565 ( 0.000 0.000 -17.196) 17.196 13.585 ( 0.000 0.000 -19.214) 19.214 ======================= Grid point 181 (66/80) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 5.083 0.000 12.532) 13.523 1.998 ( -6.546 0.000 2.775) 7.110 2.114 ( 0.020 0.000 11.492) 11.492 2.175 ( -7.798 0.000 8.022) 11.187 2.636 ( 8.129 0.000 11.707) 14.253 2.642 ( 14.653 0.000 4.686) 15.384 2.724 ( 5.785 0.000 0.219) 5.789 2.788 ( -9.014 0.000 0.453) 9.025 2.995 ( 2.332 0.000 -8.354) 8.674 3.013 ( -0.210 0.000 -8.194) 8.196 3.083 ( -6.639 0.000 -2.589) 7.126 3.095 ( -9.122 0.000 -5.133) 10.468 3.401 ( 2.478 0.000 0.538) 2.536 3.445 ( -2.213 0.000 -3.350) 4.015 3.584 ( 1.771 0.000 5.433) 5.714 3.620 ( -2.109 0.000 4.215) 4.713 3.690 ( 3.654 0.000 1.351) 3.896 3.732 ( -0.921 0.000 -0.744) 1.184 4.385 ( 2.191 0.000 4.926) 5.391 4.428 ( -2.460 0.000 0.620) 2.537 4.794 ( 4.152 0.000 6.277) 7.526 4.872 ( -4.453 0.000 -0.711) 4.510 5.156 ( 3.019 0.000 -0.970) 3.171 5.199 ( -1.782 0.000 -4.706) 5.032 7.333 ( 1.320 0.000 2.132) 2.507 7.369 ( -2.507 0.000 -1.306) 2.827 7.650 ( -0.019 0.000 0.782) 0.782 7.665 ( -1.261 0.000 0.085) 1.264 7.917 ( 6.527 0.000 -0.274) 6.533 8.003 ( -2.951 0.000 -7.854) 8.390 8.941 ( 0.293 0.000 2.271) 2.289 8.976 ( 0.090 0.000 2.075) 2.077 8.977 ( -0.089 0.000 1.928) 1.930 8.991 ( -5.080 0.000 -2.743) 5.773 9.108 ( 0.031 0.000 -1.170) 1.171 9.109 ( -0.033 0.000 -1.225) 1.226 9.637 ( 10.034 0.000 3.347) 10.578 9.716 ( 5.802 0.000 -4.373) 7.265 9.856 ( -7.780 0.000 1.952) 8.021 9.896 ( -7.475 0.000 -1.931) 7.721 9.991 ( 0.107 0.000 0.928) 0.934 9.995 ( -0.292 0.000 0.574) 0.644 10.026 ( 0.970 0.000 -2.737) 2.904 10.042 ( -0.816 0.000 -3.520) 3.614 10.119 ( -0.223 0.000 0.053) 0.229 10.120 ( -0.271 0.000 -0.020) 0.272 10.312 ( 2.449 0.000 1.546) 2.896 10.333 ( -0.086 0.000 -0.659) 0.665 10.496 ( 0.880 0.000 3.781) 3.882 10.513 ( -0.966 0.000 4.372) 4.477 10.593 ( 1.650 0.000 -5.284) 5.536 10.623 ( -1.606 0.000 -5.966) 6.178 10.671 ( 2.868 0.000 3.019) 4.164 10.702 ( -0.061 0.000 0.203) 0.212 10.947 ( 1.087 0.000 3.023) 3.212 10.986 ( -2.776 0.000 -0.655) 2.853 11.655 ( 0.798 0.000 2.120) 2.265 11.668 ( -0.461 0.000 1.784) 1.842 11.684 ( 0.898 0.000 0.755) 1.174 11.705 ( -1.160 0.000 -0.299) 1.198 12.004 ( 0.287 0.000 8.360) 8.365 12.015 ( -0.911 0.000 7.421) 7.477 12.062 ( 1.737 0.000 5.043) 5.334 12.094 ( -1.947 0.000 3.233) 3.774 12.214 ( 2.056 0.000 -2.035) 2.893 12.244 ( -1.258 0.000 -4.877) 5.037 12.424 ( 1.053 0.000 -0.219) 1.076 12.444 ( -1.072 0.000 -2.250) 2.492 13.224 ( 0.771 0.000 16.033) 16.052 13.238 ( -0.807 0.000 14.949) 14.970 13.571 ( 0.546 0.000 -17.722) 17.730 13.580 ( -0.505 0.000 -18.729) 18.736 ======================= Grid point 183 (67/80) ======================= q-point: ( 0.00 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 0.000 17.506 11.934) 21.186 2.104 ( 0.000 5.016 8.707) 10.048 2.342 ( 0.000 18.460 1.403) 18.514 2.435 ( 0.000 7.304 -5.165) 8.946 2.450 ( 0.000 8.702 17.524) 19.566 2.579 ( 0.000 6.124 8.730) 10.664 2.836 ( 0.000 14.782 5.889) 15.912 3.037 ( 0.000 6.700 -9.008) 11.226 3.054 ( 0.000 13.744 0.590) 13.757 3.120 ( 0.000 9.939 -7.829) 12.652 3.223 ( 0.000 9.295 -3.671) 9.994 3.232 ( 0.000 2.927 -5.274) 6.032 3.446 ( 0.000 6.128 5.203) 8.039 3.544 ( 0.000 5.537 -3.393) 6.494 3.621 ( 0.000 5.944 4.966) 7.745 3.716 ( 0.000 7.583 4.995) 9.081 3.717 ( 0.000 8.183 -4.412) 9.297 3.769 ( 0.000 5.079 0.450) 5.098 4.399 ( 0.000 3.493 6.679) 7.537 4.481 ( 0.000 2.967 -1.979) 3.566 4.766 ( 0.000 1.418 10.221) 10.319 4.931 ( 0.000 1.440 -5.666) 5.846 5.118 ( 0.000 -0.327 2.985) 3.003 5.213 ( 0.000 0.014 -6.101) 6.101 7.363 ( 0.000 3.816 3.721) 5.330 7.428 ( 0.000 3.256 -2.484) 4.095 7.688 ( 0.000 2.138 -0.955) 2.341 7.698 ( 0.000 2.317 -1.309) 2.661 7.864 ( 0.000 2.296 5.112) 5.605 8.036 ( 0.000 1.251 -10.916) 10.987 8.872 ( 0.000 -5.880 3.199) 6.694 8.906 ( 0.000 -5.813 0.130) 5.815 8.994 ( 0.000 -0.045 2.814) 2.814 9.050 ( 0.000 -0.765 -3.154) 3.245 9.127 ( 0.000 0.768 -0.821) 1.124 9.129 ( 0.000 0.641 -1.081) 1.257 9.465 ( 0.000 -4.817 5.304) 7.165 9.587 ( 0.000 -4.193 -6.679) 7.886 9.890 ( 0.000 -5.629 2.219) 6.051 9.925 ( 0.000 -4.730 -1.129) 4.863 9.978 ( 0.000 -1.520 1.294) 1.996 10.016 ( 0.000 -2.857 -2.188) 3.599 10.031 ( 0.000 2.529 -0.117) 2.531 10.055 ( 0.000 2.360 -2.712) 3.595 10.117 ( 0.000 0.183 0.138) 0.229 10.126 ( 0.000 0.717 -0.675) 0.984 10.244 ( 0.000 -2.811 3.703) 4.649 10.300 ( 0.000 -2.563 -2.083) 3.302 10.508 ( 0.000 1.383 3.396) 3.667 10.540 ( 0.000 0.979 4.894) 4.991 10.593 ( 0.000 1.044 -4.731) 4.845 10.645 ( 0.000 0.579 -5.432) 5.463 10.671 ( 0.000 2.939 2.999) 4.199 10.727 ( 0.000 2.988 -2.530) 3.916 10.913 ( 0.000 -2.365 4.638) 5.206 10.979 ( 0.000 -2.823 -1.857) 3.379 11.595 ( 0.000 -4.381 2.318) 4.956 11.624 ( 0.000 -3.771 -0.367) 3.788 11.624 ( 0.000 -4.851 3.226) 5.826 11.669 ( 0.000 -4.138 -1.068) 4.274 12.031 ( 0.000 1.685 6.892) 7.095 12.041 ( 0.000 0.793 5.972) 6.024 12.048 ( 0.000 0.492 4.141) 4.170 12.117 ( 0.000 0.035 0.718) 0.719 12.242 ( 0.000 5.148 1.489) 5.359 12.301 ( 0.000 4.446 -4.477) 6.309 12.457 ( 0.000 4.093 1.925) 4.523 12.493 ( 0.000 3.402 -1.455) 3.700 13.238 ( 0.000 2.036 15.569) 15.702 13.265 ( 0.000 1.853 13.451) 13.578 13.571 ( 0.000 0.484 -16.608) 16.616 13.588 ( 0.000 0.276 -18.528) 18.531 ======================= Grid point 184 (68/80) ======================= q-point: ( 0.33 0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 6.321 18.653 10.547) 22.341 2.133 ( 3.727 8.152 9.105) 12.777 2.243 ( -8.304 11.055 7.717) 15.834 2.258 ( -9.509 14.735 6.127) 18.576 2.599 ( 6.234 1.975 4.628) 8.012 2.641 ( 3.196 3.504 1.016) 4.850 2.918 ( 7.245 14.128 7.023) 17.361 2.997 ( -0.057 15.399 2.502) 15.601 3.092 ( -1.125 5.611 -3.060) 6.490 3.106 ( -1.597 6.705 -4.959) 8.491 3.165 ( -3.155 10.804 -6.681) 13.088 3.178 ( -4.666 12.108 -7.461) 14.968 3.481 ( 3.321 6.637 1.361) 7.545 3.531 ( -1.935 6.906 -2.702) 7.664 3.622 ( 0.856 4.083 4.596) 6.207 3.660 ( -3.326 4.628 2.173) 6.100 3.759 ( 2.288 7.992 0.034) 8.313 3.780 ( 0.121 6.220 -0.186) 6.224 4.417 ( 1.996 3.289 4.991) 6.302 4.457 ( -2.377 3.019 0.940) 3.956 4.806 ( 4.128 1.384 6.418) 7.755 4.884 ( -4.495 1.350 -0.519) 4.722 5.153 ( 3.094 -0.215 -0.996) 3.257 5.198 ( -1.875 -0.079 -4.801) 5.155 7.371 ( 1.199 3.723 2.119) 4.449 7.404 ( -2.330 3.428 -1.012) 4.266 7.676 ( 0.064 2.488 0.717) 2.590 7.690 ( -1.117 2.373 0.128) 2.626 7.935 ( 6.164 1.768 -0.598) 6.441 8.017 ( -2.830 1.325 -7.748) 8.354 8.861 ( -0.232 -5.771 1.773) 6.042 8.884 ( -2.260 -6.038 -0.233) 6.451 9.000 ( 0.782 0.030 1.985) 2.134 9.024 ( -2.107 -0.052 -0.604) 2.192 9.113 ( -0.420 0.143 -0.873) 0.979 9.118 ( -0.833 0.470 -1.262) 1.584 9.575 ( 10.316 -4.730 3.842) 11.981 9.659 ( 5.916 -4.214 -4.289) 8.435 9.794 ( -7.884 -5.498 2.203) 9.861 9.843 ( -8.067 -4.834 -2.374) 9.700 9.982 ( 0.515 -1.409 0.762) 1.682 9.996 ( -1.137 -1.380 -0.370) 1.826 10.052 ( 1.136 1.770 -1.795) 2.765 10.059 ( 0.219 2.225 -2.490) 3.347 10.123 ( 0.334 0.771 0.167) 0.857 10.128 ( -0.192 1.006 -0.323) 1.073 10.276 ( 2.575 -3.239 2.156) 4.666 10.301 ( -0.326 -2.933 -0.492) 2.991 10.516 ( 0.894 1.255 3.744) 4.049 10.533 ( -0.840 1.069 4.531) 4.730 10.607 ( 1.485 0.926 -4.888) 5.192 10.634 ( -1.291 0.627 -5.150) 5.347 10.694 ( 2.250 2.493 2.106) 3.964 10.724 ( -0.795 2.405 -0.633) 2.611 10.919 ( 1.129 -2.260 2.475) 3.537 10.954 ( -2.499 -2.558 -0.885) 3.684 11.602 ( 0.704 -4.465 2.500) 5.166 11.615 ( -0.705 -4.585 2.639) 5.337 11.638 ( 1.200 -3.998 -0.196) 4.179 11.659 ( -1.100 -4.067 -0.859) 4.300 12.029 ( -0.119 1.541 6.401) 6.585 12.032 ( -0.427 1.008 5.661) 5.766 12.070 ( 1.693 0.521 4.185) 4.544 12.100 ( -1.672 0.339 2.350) 2.904 12.261 ( 1.823 4.741 -0.324) 5.090 12.290 ( -1.335 4.487 -3.078) 5.603 12.466 ( 0.960 3.915 0.835) 4.117 12.484 ( -0.953 3.572 -0.814) 3.785 13.245 ( 0.698 1.992 15.065) 15.212 13.258 ( -0.731 1.900 14.007) 14.154 13.575 ( 0.488 0.430 -17.110) 17.122 13.584 ( -0.451 0.326 -18.068) 18.077 ======================= Grid point 186 (69/80) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 10.991 9.304) 14.400 2.353 ( 0.000 11.495 2.003) 11.668 2.667 ( 0.000 16.069 12.795) 20.541 2.693 ( 0.000 15.400 7.795) 17.261 2.848 ( 0.000 26.835 3.627) 27.079 2.890 ( 0.000 26.312 0.954) 26.329 3.123 ( 0.000 11.961 3.036) 12.341 3.133 ( 0.000 4.616 -1.434) 4.834 3.329 ( 0.000 10.128 -4.724) 11.176 3.348 ( 0.000 11.019 -5.219) 12.192 3.403 ( 0.000 14.521 0.867) 14.546 3.489 ( 0.000 11.989 -4.082) 12.664 3.673 ( 0.000 19.388 -0.164) 19.389 3.708 ( 0.000 14.263 -1.091) 14.305 3.769 ( 0.000 10.064 7.037) 12.280 3.878 ( 0.000 11.291 -4.244) 12.062 4.008 ( 0.000 19.485 0.108) 19.485 4.038 ( 0.000 18.629 -1.917) 18.727 4.511 ( 0.000 7.845 5.946) 9.843 4.577 ( 0.000 6.837 -1.163) 6.935 4.824 ( 0.000 4.984 10.507) 11.629 4.982 ( 0.000 4.027 -5.003) 6.423 5.113 ( 0.000 -0.020 3.488) 3.488 5.218 ( 0.000 0.666 -6.371) 6.406 7.468 ( 0.000 6.446 3.149) 7.174 7.515 ( 0.000 4.977 -1.122) 5.102 7.740 ( 0.000 2.724 -0.556) 2.780 7.752 ( 0.000 2.513 -0.671) 2.601 7.927 ( 0.000 3.722 2.278) 4.364 8.064 ( 0.000 1.065 -9.816) 9.874 8.720 ( 0.000 -9.607 1.573) 9.735 8.750 ( 0.000 -10.063 -1.285) 10.145 8.969 ( 0.000 -2.507 2.657) 3.653 9.016 ( 0.000 -2.561 -2.228) 3.394 9.092 ( 0.000 -4.202 0.426) 4.223 9.105 ( 0.000 -2.819 -1.135) 3.039 9.427 ( 0.000 1.725 5.525) 5.788 9.542 ( 0.000 0.034 -5.681) 5.681 9.741 ( 0.000 -8.276 3.025) 8.811 9.795 ( 0.000 -7.413 -2.220) 7.739 9.940 ( 0.000 -1.999 0.788) 2.149 9.954 ( 0.000 -2.862 -0.176) 2.867 10.062 ( 0.000 0.373 -0.569) 0.681 10.069 ( 0.000 -0.957 -1.134) 1.484 10.140 ( 0.000 0.838 0.182) 0.857 10.155 ( 0.000 1.432 -1.042) 1.771 10.184 ( 0.000 -2.799 3.520) 4.497 10.241 ( 0.000 -3.058 -2.134) 3.729 10.525 ( 0.000 -1.049 4.889) 5.000 10.537 ( 0.000 0.298 4.218) 4.229 10.607 ( 0.000 0.412 -3.692) 3.715 10.633 ( 0.000 -2.158 -4.522) 5.011 10.742 ( 0.000 3.795 2.076) 4.326 10.796 ( 0.000 3.728 -3.217) 4.925 10.886 ( 0.000 0.194 2.468) 2.476 10.939 ( 0.000 -0.415 -2.733) 2.765 11.501 ( 0.000 -4.650 2.506) 5.283 11.520 ( 0.000 -5.020 3.498) 6.118 11.539 ( 0.000 -4.257 -1.169) 4.414 11.574 ( 0.000 -4.811 -1.784) 5.131 12.038 ( 0.000 -0.537 3.281) 3.325 12.053 ( 0.000 -0.032 2.273) 2.273 12.057 ( 0.000 0.248 4.925) 4.932 12.116 ( 0.000 -0.107 -0.401) 0.415 12.377 ( 0.000 7.713 2.708) 8.175 12.411 ( 0.000 5.908 -0.730) 5.953 12.562 ( 0.000 5.836 2.439) 6.325 12.566 ( 0.000 3.412 2.309) 4.120 13.289 ( 0.000 2.799 13.165) 13.459 13.317 ( 0.000 3.234 10.779) 11.254 13.581 ( 0.000 0.396 -14.875) 14.880 13.592 ( 0.000 0.002 -16.578) 16.578 ======================= Grid point 187 (70/80) ======================= q-point: ( 0.33 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 4.592 10.462 7.893) 13.887 2.364 ( -0.274 9.635 3.081) 10.119 2.613 ( -1.027 21.299 14.879) 26.001 2.682 ( -6.753 17.844 13.538) 23.394 2.796 ( 2.603 21.523 -3.059) 21.895 2.868 ( -4.314 19.803 -4.095) 20.677 3.165 ( 4.445 9.937 -0.905) 10.923 3.205 ( 2.495 9.228 -2.183) 9.805 3.291 ( 1.044 13.438 5.110) 14.414 3.361 ( -3.577 16.230 2.814) 16.857 3.428 ( 3.992 10.849 -4.835) 12.531 3.479 ( -1.631 12.096 -5.286) 13.301 3.693 ( 2.153 18.211 -0.901) 18.360 3.711 ( 0.185 14.666 -0.578) 14.678 3.759 ( 0.022 10.528 3.753) 11.177 3.817 ( -5.460 12.044 -2.527) 13.463 4.030 ( 1.487 18.552 -0.658) 18.623 4.042 ( 0.094 18.364 -1.342) 18.413 4.523 ( 1.456 7.507 4.769) 9.012 4.555 ( -2.061 7.010 1.507) 7.461 4.861 ( 3.827 4.660 6.888) 9.155 4.935 ( -4.372 4.082 0.503) 6.002 5.152 ( 3.308 0.266 -1.215) 3.534 5.200 ( -2.112 0.505 -5.080) 5.524 7.474 ( 0.815 6.228 1.954) 6.578 7.497 ( -1.675 5.505 -0.198) 5.758 7.736 ( 0.185 3.031 0.565) 3.089 7.747 ( -0.713 2.713 0.355) 2.827 7.981 ( 4.831 2.483 -1.786) 5.718 8.047 ( -2.381 1.267 -7.398) 7.874 8.715 ( 0.005 -9.188 0.732) 9.217 8.732 ( -1.671 -9.550 -0.855) 9.732 8.969 ( 0.262 -2.794 1.827) 3.349 8.988 ( -2.038 -2.891 0.001) 3.537 9.095 ( 0.326 -2.480 -0.668) 2.589 9.102 ( -0.393 -2.430 -1.235) 2.754 9.509 ( 8.134 -1.069 4.613) 9.412 9.597 ( 4.383 -1.759 -3.517) 5.889 9.672 ( -5.740 -5.735 2.431) 8.470 9.733 ( -6.384 -5.463 -2.988) 8.918 9.943 ( 0.303 -2.149 0.595) 2.250 9.949 ( -0.426 -2.552 0.129) 2.590 10.078 ( 1.178 0.214 -1.214) 1.705 10.081 ( 0.759 -0.474 -1.480) 1.730 10.141 ( 0.068 -0.026 0.418) 0.424 10.148 ( -0.684 0.275 -0.228) 0.772 10.205 ( 1.962 -3.149 2.219) 4.323 10.233 ( -1.059 -3.448 -0.516) 3.644 10.528 ( 0.279 -0.655 4.598) 4.653 10.533 ( -0.318 0.082 4.249) 4.261 10.613 ( 0.662 -0.285 -3.921) 3.987 10.626 ( -0.737 -1.578 -4.309) 4.648 10.761 ( 1.914 3.768 1.325) 4.429 10.790 ( -1.039 3.855 -1.225) 4.176 10.891 ( 0.990 0.012 0.445) 1.085 10.920 ( -1.959 -0.224 -2.089) 2.873 11.506 ( 0.515 -4.713 2.765) 5.488 11.515 ( -0.501 -4.870 3.231) 5.866 11.549 ( 1.008 -4.439 -1.310) 4.736 11.566 ( -0.891 -4.689 -1.641) 5.047 12.040 ( 0.299 -0.205 3.640) 3.658 12.047 ( -0.435 0.257 3.986) 4.018 12.073 ( 1.507 -0.209 2.233) 2.702 12.101 ( -1.561 -0.131 0.502) 1.645 12.388 ( 1.053 7.235 1.702) 7.507 12.405 ( -0.764 6.344 0.011) 6.390 12.562 ( 0.066 5.159 2.415) 5.697 12.564 ( -0.165 3.992 2.329) 4.625 13.296 ( 0.746 2.916 12.582) 12.937 13.310 ( -0.768 3.133 11.391) 11.839 13.584 ( 0.323 0.296 -15.320) 15.327 13.590 ( -0.290 0.099 -16.171) 16.174 ======================= Grid point 189 (71/80) ======================= q-point: ( 0.00 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 0.000 16.095 5.921) 17.150 2.595 ( 0.000 13.717 0.976) 13.752 3.017 ( 0.000 17.103 8.897) 19.279 3.046 ( 0.000 21.452 10.344) 23.816 3.245 ( 0.000 8.141 -1.436) 8.267 3.327 ( 0.000 10.481 -1.870) 10.647 3.331 ( 0.000 16.705 10.431) 19.694 3.424 ( 0.000 19.027 1.206) 19.066 3.538 ( 0.000 9.884 -3.440) 10.465 3.546 ( 0.000 8.830 -2.600) 9.205 3.688 ( 0.000 20.316 -2.305) 20.447 3.746 ( 0.000 17.649 -5.597) 18.515 4.029 ( 0.000 16.659 5.525) 17.551 4.115 ( 0.000 21.519 -4.693) 22.024 4.145 ( 0.000 24.129 2.947) 24.308 4.220 ( 0.000 21.914 -4.162) 22.306 4.408 ( 0.000 18.987 -0.587) 18.996 4.423 ( 0.000 18.428 -1.575) 18.495 4.725 ( 0.000 14.276 4.562) 14.988 4.771 ( 0.000 13.128 -0.513) 13.138 4.993 ( 0.000 11.919 8.102) 14.412 5.099 ( 0.000 7.309 -3.011) 7.905 5.130 ( 0.000 2.564 4.907) 5.536 5.258 ( 0.000 4.338 -6.376) 7.712 7.601 ( 0.000 2.772 1.356) 3.086 7.602 ( 0.000 6.247 1.359) 6.393 7.769 ( 0.000 -1.686 0.795) 1.864 7.774 ( 0.000 0.026 -0.567) 0.568 7.997 ( 0.000 2.846 -2.591) 3.849 8.054 ( 0.000 -2.643 -7.407) 7.864 8.499 ( 0.000 -11.690 -0.787) 11.716 8.510 ( 0.000 -13.239 -1.766) 13.356 8.899 ( 0.000 -4.180 3.375) 5.372 8.959 ( 0.000 -2.954 -2.583) 3.924 9.006 ( 0.000 -3.503 1.755) 3.918 9.033 ( 0.000 -3.962 -1.238) 4.151 9.494 ( 0.000 3.348 3.600) 4.917 9.548 ( 0.000 -1.693 -0.854) 1.896 9.615 ( 0.000 -2.211 1.746) 2.817 9.665 ( 0.000 -4.682 -2.361) 5.244 9.908 ( 0.000 -1.233 0.555) 1.352 9.911 ( 0.000 -1.429 0.558) 1.534 10.030 ( 0.000 -3.091 1.333) 3.366 10.050 ( 0.000 -1.218 -1.619) 2.026 10.097 ( 0.000 -3.756 2.601) 4.569 10.155 ( 0.000 -0.298 2.068) 2.090 10.159 ( 0.000 -1.601 -2.414) 2.897 10.183 ( 0.000 -1.774 -1.398) 2.259 10.506 ( 0.000 0.491 4.210) 4.239 10.561 ( 0.000 1.358 3.078) 3.364 10.582 ( 0.000 -1.052 -3.032) 3.209 10.630 ( 0.000 1.003 -3.207) 3.360 10.814 ( 0.000 3.315 1.398) 3.597 10.867 ( 0.000 3.179 -3.960) 5.078 10.905 ( 0.000 1.070 1.010) 1.472 10.951 ( 0.000 0.844 -3.477) 3.578 11.419 ( 0.000 -3.342 2.940) 4.451 11.439 ( 0.000 -2.889 3.250) 4.348 11.466 ( 0.000 -2.876 -1.701) 3.341 11.493 ( 0.000 -3.153 -1.997) 3.732 12.020 ( 0.000 -1.110 2.836) 3.045 12.050 ( 0.000 -0.747 3.996) 4.065 12.051 ( 0.000 0.023 0.206) 0.208 12.114 ( 0.000 -0.052 -1.979) 1.980 12.514 ( 0.000 3.863 3.036) 4.913 12.524 ( 0.000 6.453 2.129) 6.795 12.614 ( 0.000 1.129 6.160) 6.263 12.668 ( 0.000 4.352 0.802) 4.426 13.342 ( 0.000 2.435 9.992) 10.285 13.383 ( 0.000 3.057 7.600) 8.191 13.580 ( 0.000 -0.708 -12.666) 12.685 13.584 ( 0.000 -0.799 -12.984) 13.008 ======================= Grid point 190 (72/80) ======================= q-point: ( 0.33 0.21 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 2.227 14.705 4.508) 15.541 2.590 ( -0.830 13.366 1.953) 13.533 3.011 ( 0.067 19.273 11.283) 22.333 3.032 ( -1.822 20.109 11.644) 23.308 3.219 ( -0.849 14.411 -2.030) 14.578 3.243 ( -3.326 15.495 0.018) 15.848 3.412 ( 3.259 12.436 2.840) 13.166 3.450 ( -0.381 13.486 -1.445) 13.569 3.531 ( 2.850 8.722 1.843) 9.358 3.572 ( -0.174 6.294 -1.014) 6.377 3.700 ( 1.481 20.925 -3.457) 21.260 3.730 ( -1.649 19.116 -4.813) 19.782 4.047 ( 2.253 17.893 4.383) 18.559 4.101 ( -3.476 20.803 2.035) 21.189 4.139 ( 2.044 22.474 -3.450) 22.829 4.187 ( -3.151 22.754 -4.327) 23.376 4.430 ( 1.568 20.292 -0.937) 20.374 4.436 ( 0.868 20.037 -1.233) 20.094 4.724 ( 0.308 12.601 3.574) 13.101 4.747 ( -2.132 12.239 1.058) 12.468 5.018 ( 2.524 11.161 7.029) 13.429 5.064 ( -2.664 9.194 4.198) 10.453 5.177 ( 3.713 2.879 -2.472) 5.309 5.234 ( -2.677 3.857 -5.535) 7.258 7.599 ( -0.039 4.697 1.223) 4.854 7.601 ( -0.186 4.769 1.133) 4.905 7.769 ( 0.091 -0.969 0.725) 1.214 7.772 ( -0.239 -0.466 0.304) 0.606 8.017 ( 1.934 0.807 -4.064) 4.572 8.045 ( -1.136 -1.879 -6.413) 6.778 8.499 ( 0.106 -11.764 -1.012) 11.808 8.504 ( -0.484 -12.563 -1.508) 12.663 8.910 ( 1.303 -2.822 2.714) 4.126 8.939 ( -1.872 -1.606 0.355) 2.493 9.013 ( 0.698 -4.967 -0.436) 5.035 9.026 ( -0.721 -4.571 -1.340) 4.818 9.519 ( 2.492 0.792 3.420) 4.305 9.552 ( -0.560 -3.262 1.576) 3.665 9.612 ( 0.660 -0.161 -0.603) 0.908 9.644 ( -2.212 -2.940 -2.284) 4.331 9.908 ( 0.006 -1.264 0.550) 1.379 9.909 ( -0.147 -1.366 0.559) 1.483 10.046 ( 1.637 -2.687 1.181) 3.361 10.066 ( 0.550 -0.958 -1.454) 1.826 10.092 ( 0.398 -3.825 2.261) 4.461 10.127 ( -2.447 -1.948 -0.335) 3.145 10.167 ( 0.467 -1.019 -0.029) 1.122 10.177 ( -0.616 -1.681 -0.779) 1.952 10.519 ( 1.314 0.505 3.597) 3.863 10.544 ( -1.465 0.624 2.593) 3.043 10.599 ( 1.417 0.039 -2.413) 2.798 10.621 ( -1.028 0.756 -2.949) 3.213 10.831 ( 1.854 3.109 1.084) 3.779 10.863 ( -1.206 3.118 -1.005) 3.491 10.907 ( 0.958 1.046 -1.739) 2.244 10.934 ( -1.714 1.019 -3.388) 3.931 11.424 ( 0.560 -3.241 3.037) 4.476 11.434 ( -0.522 -3.035 3.170) 4.420 11.474 ( 0.790 -2.887 -1.764) 3.474 11.487 ( -0.637 -3.044 -1.929) 3.660 12.027 ( 0.754 -0.980 3.110) 3.347 12.041 ( -0.807 -0.719 3.509) 3.671 12.068 ( 1.616 -0.107 -0.096) 1.623 12.098 ( -1.652 -0.054 -1.350) 2.134 12.516 ( 0.247 4.227 2.975) 5.175 12.521 ( -0.296 5.392 2.574) 5.982 12.628 ( 1.506 2.302 4.567) 5.331 12.655 ( -1.404 3.805 1.964) 4.506 13.353 ( 1.095 2.610 9.367) 9.785 13.373 ( -1.075 2.920 8.175) 8.747 13.581 ( 0.110 -0.734 -12.762) 12.784 13.583 ( -0.082 -0.778 -12.915) 12.939 ======================= Grid point 192 (73/80) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 0.000 18.185 2.598) 18.369 2.900 ( 0.000 16.394 1.708) 16.483 3.349 ( 0.000 15.278 6.542) 16.620 3.419 ( 0.000 10.324 3.130) 10.788 3.494 ( 0.000 19.561 3.480) 19.868 3.552 ( 0.000 11.108 2.365) 11.356 3.585 ( 0.000 12.653 7.068) 14.493 3.658 ( 0.000 8.433 0.049) 8.433 3.691 ( 0.000 6.843 -0.538) 6.864 3.736 ( 0.000 12.028 -6.367) 13.610 4.163 ( 0.000 20.161 -2.750) 20.348 4.164 ( 0.000 20.941 -2.393) 21.078 4.369 ( 0.000 15.618 5.711) 16.630 4.478 ( 0.000 13.888 -5.175) 14.820 4.571 ( 0.000 18.078 3.527) 18.419 4.642 ( 0.000 17.640 -3.782) 18.041 4.778 ( 0.000 19.300 -0.735) 19.314 4.782 ( 0.000 19.481 -0.939) 19.503 5.079 ( 0.000 19.385 1.770) 19.466 5.088 ( 0.000 16.734 0.025) 16.734 5.171 ( 0.000 7.755 4.134) 8.788 5.247 ( 0.000 9.056 -2.490) 9.393 5.350 ( 0.000 17.740 5.993) 18.725 5.444 ( 0.000 13.654 -3.076) 13.996 7.583 ( 0.000 -5.276 3.603) 6.389 7.656 ( 0.000 -9.649 1.900) 9.834 7.662 ( 0.000 -2.377 -3.949) 4.609 7.711 ( 0.000 -7.375 -2.759) 7.874 7.975 ( 0.000 -2.999 -0.851) 3.118 8.035 ( 0.000 0.678 -5.952) 5.991 8.262 ( 0.000 -10.603 -0.652) 10.623 8.294 ( 0.000 -7.773 -3.914) 8.703 8.816 ( 0.000 -4.101 3.680) 5.510 8.886 ( 0.000 -4.718 -3.265) 5.738 8.967 ( 0.000 -0.216 1.407) 1.424 8.979 ( 0.000 -0.796 0.133) 0.807 9.491 ( 0.000 -2.549 1.155) 2.798 9.495 ( 0.000 -3.004 0.833) 3.117 9.618 ( 0.000 0.602 1.554) 1.666 9.638 ( 0.000 0.912 -0.274) 0.952 9.882 ( 0.000 -1.000 0.828) 1.299 9.885 ( 0.000 -0.870 0.921) 1.267 10.000 ( 0.000 2.016 4.909) 5.307 10.044 ( 0.000 -1.568 0.248) 1.588 10.046 ( 0.000 1.178 -1.662) 2.037 10.112 ( 0.000 -0.771 -4.403) 4.470 10.176 ( 0.000 2.325 2.643) 3.520 10.197 ( 0.000 1.980 -0.166) 1.987 10.520 ( 0.000 -0.185 2.849) 2.855 10.577 ( 0.000 -0.411 -2.365) 2.400 10.581 ( 0.000 0.503 2.267) 2.322 10.641 ( 0.000 -0.233 -3.182) 3.191 10.874 ( 0.000 2.615 0.951) 2.782 10.918 ( 0.000 0.268 0.132) 0.298 10.921 ( 0.000 2.256 -3.906) 4.511 10.958 ( 0.000 -0.254 -3.901) 3.909 11.376 ( 0.000 -0.866 3.161) 3.278 11.405 ( 0.000 -0.535 2.941) 2.989 11.426 ( 0.000 -1.176 -1.900) 2.235 11.452 ( 0.000 -0.915 -1.791) 2.011 12.000 ( 0.000 -0.621 3.596) 3.649 12.035 ( 0.000 -0.494 4.457) 4.484 12.061 ( 0.000 1.200 -2.023) 2.352 12.121 ( 0.000 0.979 -3.788) 3.913 12.552 ( 0.000 -0.168 6.284) 6.287 12.605 ( 0.000 -2.119 8.800) 9.051 12.620 ( 0.000 2.941 -0.061) 2.942 12.721 ( 0.000 0.669 -2.227) 2.325 13.382 ( 0.000 1.464 6.737) 6.894 13.430 ( 0.000 1.521 5.170) 5.389 13.547 ( 0.000 -2.376 -9.832) 10.115 13.561 ( 0.000 -1.689 -8.255) 8.426 ======================= Grid point 193 (74/80) ======================= q-point: ( 0.33 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 0.069 17.288 2.171) 17.424 2.893 ( -0.640 16.465 1.710) 16.566 3.379 ( 3.036 16.602 7.527) 18.480 3.421 ( -0.920 14.014 7.336) 15.845 3.492 ( 0.640 16.722 0.800) 16.753 3.521 ( -2.251 12.649 2.563) 13.101 3.614 ( 1.981 9.458 4.192) 10.533 3.649 ( -1.946 7.278 0.852) 7.582 3.691 ( 1.492 9.409 -1.821) 9.699 3.724 ( -1.590 10.884 -5.223) 12.177 4.160 ( -0.134 20.194 -2.589) 20.360 4.162 ( -0.219 20.366 -2.655) 20.539 4.402 ( 3.798 15.593 5.453) 16.950 4.479 ( -3.515 13.172 2.710) 13.900 4.530 ( 1.278 19.601 -3.812) 20.009 4.595 ( -4.526 17.592 -5.254) 18.909 4.838 ( 5.755 20.388 0.205) 21.185 4.851 ( 4.684 21.296 -1.063) 21.831 5.006 ( -4.831 14.636 1.769) 15.514 5.020 ( -5.929 14.086 0.080) 15.283 5.227 ( 4.113 11.205 4.371) 12.711 5.271 ( -0.269 9.799 1.626) 9.937 5.366 ( 2.668 17.126 1.377) 17.387 5.420 ( -2.738 14.416 -2.472) 14.881 7.596 ( 1.409 -5.429 2.983) 6.353 7.626 ( -1.987 -5.922 1.362) 6.393 7.686 ( 1.352 -6.310 -2.633) 6.970 7.704 ( -0.763 -7.114 -2.815) 7.689 7.989 ( 1.518 -1.943 -1.945) 3.140 8.018 ( -1.685 -0.070 -4.447) 4.756 8.268 ( 0.720 -10.337 -1.759) 10.510 8.284 ( -1.022 -8.871 -3.354) 9.538 8.854 ( 3.990 -3.046 3.262) 5.987 8.911 ( 2.452 -4.266 -2.285) 5.425 8.929 ( -3.815 -0.420 1.982) 4.320 8.959 ( -2.379 -1.691 -0.923) 3.061 9.493 ( 0.149 -2.393 1.113) 2.643 9.495 ( -0.035 -2.565 0.940) 2.732 9.619 ( 0.300 0.368 1.044) 1.147 9.629 ( -0.808 0.556 0.103) 0.986 9.887 ( 0.401 -0.654 0.761) 1.080 9.890 ( 0.213 -0.558 0.667) 0.895 10.014 ( 1.536 0.920 3.921) 4.310 10.037 ( -0.860 -0.991 1.374) 1.899 10.061 ( 1.662 0.604 -1.579) 2.370 10.095 ( -1.914 -0.168 -2.254) 2.962 10.176 ( 0.281 2.334 0.824) 2.491 10.188 ( -0.891 2.169 -0.260) 2.359 10.531 ( 1.102 -0.189 2.252) 2.515 10.553 ( -1.458 -0.127 0.985) 1.764 10.607 ( 1.664 0.025 -1.147) 2.021 10.631 ( -1.084 -0.161 -2.536) 2.763 10.883 ( 1.053 2.104 0.743) 2.467 10.905 ( -1.251 1.061 0.273) 1.663 10.930 ( 0.935 1.416 -3.886) 4.240 10.948 ( -1.006 0.294 -3.954) 4.091 11.383 ( 0.723 -0.861 3.024) 3.226 11.397 ( -0.798 -0.764 2.743) 2.957 11.436 ( 0.821 -0.979 -1.620) 2.063 11.448 ( -0.522 -0.916 -1.733) 2.029 12.009 ( 0.908 -0.589 3.809) 3.960 12.026 ( -0.973 -0.518 4.205) 4.347 12.076 ( 1.587 1.135 -2.396) 3.090 12.106 ( -1.602 1.035 -3.310) 3.820 12.558 ( 0.691 -0.166 6.397) 6.436 12.577 ( -1.549 -0.233 6.477) 6.663 12.660 ( 2.839 0.967 1.093) 3.192 12.703 ( -1.991 0.741 -1.158) 2.419 13.394 ( 1.313 1.477 6.293) 6.596 13.418 ( -1.259 1.504 5.513) 5.851 13.551 ( 0.378 -2.200 -9.427) 9.687 13.558 ( -0.354 -1.859 -8.642) 8.847 ======================= Grid point 195 (75/80) ======================= q-point: ( 0.00 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 0.000 15.816 1.857) 15.924 3.237 ( 0.000 16.276 0.640) 16.289 3.610 ( 0.000 10.754 1.961) 10.931 3.619 ( 0.000 9.405 1.192) 9.481 3.720 ( 0.000 7.466 3.113) 8.089 3.729 ( 0.000 6.720 2.059) 7.028 3.774 ( 0.000 4.432 0.904) 4.523 3.790 ( 0.000 4.808 -0.541) 4.838 4.023 ( 0.000 22.586 1.655) 22.647 4.055 ( 0.000 18.255 -1.438) 18.312 4.480 ( 0.000 11.737 1.575) 11.842 4.485 ( 0.000 12.178 -0.131) 12.178 4.602 ( 0.000 8.521 3.859) 9.355 4.672 ( 0.000 6.620 -2.585) 7.107 4.851 ( 0.000 8.419 -0.365) 8.427 4.873 ( 0.000 5.600 -2.440) 6.108 5.174 ( 0.000 20.028 0.680) 20.040 5.195 ( 0.000 20.273 -1.447) 20.325 5.371 ( 0.000 13.667 0.493) 13.676 5.378 ( 0.000 13.529 -0.316) 13.533 5.486 ( 0.000 17.939 3.068) 18.199 5.524 ( 0.000 15.906 -0.451) 15.912 5.689 ( 0.000 14.696 2.823) 14.965 5.723 ( 0.000 12.715 -0.455) 12.723 7.394 ( 0.000 -12.536 2.227) 12.733 7.434 ( 0.000 -11.070 1.770) 11.210 7.472 ( 0.000 -14.149 -5.564) 15.204 7.512 ( 0.000 -11.200 -5.690) 12.562 7.944 ( 0.000 -2.960 0.450) 2.994 7.989 ( 0.000 -5.134 -4.016) 6.518 8.133 ( 0.000 -1.097 2.145) 2.409 8.222 ( 0.000 -0.023 -6.661) 6.661 8.724 ( 0.000 -5.173 2.864) 5.913 8.777 ( 0.000 -6.036 -2.271) 6.449 8.987 ( 0.000 1.061 0.774) 1.313 8.991 ( 0.000 2.007 0.477) 2.063 9.443 ( 0.000 -0.836 1.594) 1.800 9.462 ( 0.000 0.239 -0.262) 0.355 9.629 ( 0.000 0.393 2.238) 2.272 9.651 ( 0.000 0.267 0.319) 0.416 9.895 ( 0.000 2.164 1.256) 2.502 9.909 ( 0.000 2.842 -0.029) 2.842 10.025 ( 0.000 0.608 1.913) 2.007 10.062 ( 0.000 0.804 -1.777) 1.951 10.100 ( 0.000 6.073 3.827) 7.178 10.165 ( 0.000 4.790 -2.303) 5.315 10.232 ( 0.000 2.834 2.282) 3.639 10.242 ( 0.000 2.254 -0.028) 2.255 10.483 ( 0.000 -3.188 1.912) 3.717 10.536 ( 0.000 -3.623 -2.622) 4.472 10.575 ( 0.000 -1.279 1.165) 1.730 10.615 ( 0.000 -2.439 -2.433) 3.445 10.902 ( 0.000 0.065 -0.057) 0.086 10.933 ( 0.000 1.351 -0.756) 1.548 10.942 ( 0.000 -1.013 -4.192) 4.313 10.957 ( 0.000 1.039 -3.255) 3.417 11.382 ( 0.000 1.207 2.136) 2.453 11.415 ( 0.000 0.044 -1.361) 1.362 11.418 ( 0.000 1.645 2.463) 2.962 11.453 ( 0.000 0.851 -1.250) 1.512 12.005 ( 0.000 1.416 5.407) 5.589 12.042 ( 0.000 1.389 6.044) 6.202 12.108 ( 0.000 3.624 -4.310) 5.631 12.161 ( 0.000 3.168 -5.531) 6.374 12.507 ( 0.000 -4.203 8.533) 9.512 12.531 ( 0.000 -5.094 9.691) 10.949 12.635 ( 0.000 -1.482 -3.445) 3.750 12.690 ( 0.000 -3.747 -5.367) 6.546 13.401 ( 0.000 0.557 4.135) 4.173 13.443 ( 0.000 -0.150 3.733) 3.736 13.492 ( 0.000 -2.885 -5.396) 6.119 13.518 ( 0.000 -2.524 -4.255) 4.947 ======================= Grid point 196 (76/80) ======================= q-point: ( 0.33 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -0.169 16.091 1.477) 16.159 3.228 ( -0.699 16.307 0.893) 16.346 3.637 ( 2.071 9.185 2.152) 9.659 3.643 ( 2.104 9.692 1.717) 10.065 3.704 ( -0.749 7.075 2.812) 7.650 3.723 ( -1.520 6.439 0.944) 6.683 3.773 ( 0.149 5.342 1.186) 5.474 3.782 ( -0.721 5.629 0.331) 5.685 4.026 ( 0.563 21.534 0.850) 21.558 4.043 ( -1.186 19.240 -0.837) 19.295 4.475 ( -0.137 11.745 0.788) 11.772 4.480 ( -0.571 11.935 0.104) 11.950 4.629 ( 2.688 8.203 3.314) 9.246 4.667 ( -1.180 6.996 0.170) 7.096 4.839 ( -0.157 8.826 -1.912) 9.032 4.858 ( -1.698 7.115 -3.119) 7.952 5.216 ( 4.363 18.124 0.949) 18.666 5.235 ( 3.667 17.668 -0.793) 18.062 5.319 ( -4.509 16.804 0.468) 17.405 5.330 ( -4.493 16.219 -0.662) 16.843 5.515 ( 2.110 15.740 2.340) 16.052 5.533 ( 0.174 14.844 0.715) 14.862 5.696 ( 0.891 14.324 1.734) 14.456 5.714 ( -0.994 13.251 0.090) 13.289 7.402 ( 0.986 -12.286 2.114) 12.506 7.422 ( -1.181 -11.587 1.890) 11.800 7.481 ( 0.961 -13.485 -5.631) 14.645 7.501 ( -1.136 -12.037 -5.705) 13.369 7.976 ( 3.515 -1.772 1.076) 4.081 8.020 ( 1.161 -0.012 -2.412) 2.677 8.102 ( -0.828 -5.953 -0.564) 6.037 8.166 ( -5.461 -2.992 -6.030) 8.668 8.786 ( 6.076 -3.406 2.457) 7.386 8.824 ( 3.890 -3.869 -1.085) 5.593 8.934 ( -4.686 0.098 0.801) 4.755 8.948 ( -4.355 0.233 -0.471) 4.387 9.462 ( 1.527 -0.016 1.221) 1.955 9.472 ( 0.499 0.583 0.245) 0.806 9.626 ( 0.004 0.326 1.726) 1.757 9.638 ( -1.235 0.310 0.654) 1.431 9.900 ( 0.622 2.132 1.101) 2.479 9.909 ( -0.227 2.602 0.327) 2.632 10.030 ( 0.716 0.559 1.289) 1.577 10.048 ( -1.207 0.983 -0.202) 1.569 10.118 ( 1.742 5.243 1.993) 5.873 10.149 ( -1.632 4.764 -0.452) 5.056 10.237 ( 0.421 2.994 1.214) 3.258 10.242 ( -0.129 2.836 0.252) 2.850 10.496 ( 1.414 -3.030 1.081) 3.514 10.522 ( -1.459 -2.998 -0.832) 3.436 10.585 ( 1.010 -2.239 -0.518) 2.510 10.605 ( -1.121 -2.583 -1.972) 3.438 10.910 ( 0.836 0.464 -0.238) 0.985 10.925 ( -0.838 1.088 -0.586) 1.493 10.946 ( 0.380 -0.424 -3.956) 3.996 10.953 ( -0.388 0.589 -3.493) 3.564 11.388 ( 0.666 1.185 2.020) 2.435 11.401 ( -0.871 1.069 1.473) 2.018 11.433 ( 0.990 0.672 -0.439) 1.275 11.448 ( -0.654 0.743 -1.095) 1.476 12.014 ( 0.934 1.408 5.566) 5.817 12.032 ( -1.009 1.394 5.865) 6.112 12.121 ( 1.432 3.525 -4.572) 5.948 12.148 ( -1.420 3.299 -5.207) 6.326 12.511 ( 0.491 -4.295 8.767) 9.774 12.522 ( -0.772 -4.665 9.280) 10.415 12.651 ( 1.602 -2.244 -3.809) 4.702 12.678 ( -1.318 -3.300 -4.833) 5.998 13.412 ( 1.109 0.349 3.979) 4.145 13.432 ( -1.109 -0.016 3.739) 3.900 13.499 ( 0.698 -2.768 -5.020) 5.775 13.512 ( -0.647 -2.601 -4.490) 5.229 ======================= Grid point 198 (77/80) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 0.000 12.507 1.052) 12.551 3.521 ( 0.000 11.966 0.220) 11.968 3.758 ( 0.000 2.661 0.628) 2.734 3.767 ( 0.000 3.540 -0.331) 3.556 3.807 ( 0.000 2.124 1.185) 2.432 3.827 ( 0.000 3.375 -0.674) 3.442 3.856 ( 0.000 3.760 0.921) 3.872 3.858 ( 0.000 2.546 0.537) 2.602 4.396 ( 0.000 14.597 2.269) 14.773 4.425 ( 0.000 16.248 -0.679) 16.262 4.651 ( 0.000 5.532 2.192) 5.951 4.655 ( 0.000 4.772 0.974) 4.871 4.736 ( 0.000 4.978 2.317) 5.491 4.768 ( 0.000 3.088 -0.143) 3.091 4.920 ( 0.000 0.558 1.050) 1.189 4.941 ( 0.000 1.592 -0.931) 1.844 5.517 ( 0.000 12.827 0.322) 12.831 5.531 ( 0.000 12.176 -1.007) 12.218 5.614 ( 0.000 9.257 -0.147) 9.258 5.616 ( 0.000 9.105 -0.376) 9.113 5.783 ( 0.000 11.259 1.728) 11.391 5.795 ( 0.000 10.432 0.599) 10.449 5.904 ( 0.000 6.506 1.426) 6.661 5.913 ( 0.000 5.759 0.647) 5.795 7.171 ( 0.000 -8.229 -0.317) 8.235 7.215 ( 0.000 -10.233 -4.704) 11.262 7.235 ( 0.000 -7.864 0.073) 7.865 7.286 ( 0.000 -9.981 -4.871) 11.106 7.865 ( 0.000 -3.403 -0.960) 3.536 7.885 ( 0.000 -4.328 -2.937) 5.231 8.169 ( 0.000 2.797 1.112) 3.010 8.232 ( 0.000 0.087 -5.179) 5.180 8.627 ( 0.000 -3.803 1.667) 4.153 8.659 ( 0.000 -5.146 -1.457) 5.348 9.012 ( 0.000 1.375 1.254) 1.861 9.026 ( 0.000 1.224 -0.140) 1.232 9.477 ( 0.000 3.762 2.362) 4.442 9.508 ( 0.000 3.857 -0.602) 3.903 9.622 ( 0.000 -1.396 2.286) 2.679 9.643 ( 0.000 -1.293 0.412) 1.357 9.944 ( 0.000 2.167 0.947) 2.364 9.959 ( 0.000 1.518 -0.785) 1.709 10.068 ( 0.000 3.317 1.468) 3.627 10.091 ( 0.000 1.849 -1.034) 2.119 10.209 ( 0.000 4.103 4.817) 6.328 10.252 ( 0.000 2.777 1.882) 3.355 10.278 ( 0.000 1.764 1.598) 2.380 10.280 ( 0.000 1.772 -1.150) 2.112 10.427 ( 0.000 -1.339 0.097) 1.342 10.460 ( 0.000 -2.962 -2.304) 3.753 10.527 ( 0.000 -3.368 -0.119) 3.370 10.543 ( 0.000 -4.526 -1.381) 4.733 10.901 ( 0.000 0.196 -1.698) 1.709 10.922 ( 0.000 -0.800 -3.865) 3.946 10.948 ( 0.000 0.032 -1.820) 1.820 10.961 ( 0.000 -0.580 -3.220) 3.272 11.413 ( 0.000 1.607 0.848) 1.817 11.425 ( 0.000 0.723 -0.420) 0.836 11.458 ( 0.000 1.917 1.446) 2.401 11.475 ( 0.000 0.977 -0.412) 1.061 12.065 ( 0.000 4.659 7.621) 8.932 12.098 ( 0.000 4.343 7.992) 9.096 12.199 ( 0.000 4.417 -4.079) 6.012 12.237 ( 0.000 3.315 -4.133) 5.298 12.403 ( 0.000 -5.009 8.042) 9.475 12.424 ( 0.000 -4.193 5.837) 7.187 12.564 ( 0.000 -5.504 -6.548) 8.554 12.579 ( 0.000 -6.854 -7.329) 10.035 13.410 ( 0.000 0.492 2.414) 2.463 13.431 ( 0.000 -0.765 2.793) 2.896 13.443 ( 0.000 -1.883 -1.202) 2.234 13.467 ( 0.000 -2.388 -1.055) 2.611 ======================= Grid point 199 (78/80) ======================= q-point: ( 0.33 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 0.108 12.606 0.828) 12.634 3.518 ( -0.298 12.343 0.401) 12.354 3.763 ( 0.527 1.745 0.328) 1.853 3.769 ( 0.001 2.120 -0.174) 2.127 3.809 ( 0.376 3.655 1.398) 3.931 3.820 ( -0.736 4.333 0.611) 4.437 3.856 ( 0.211 2.783 0.082) 2.792 3.859 ( -0.086 2.649 0.017) 2.651 4.403 ( 0.743 15.276 1.723) 15.391 4.417 ( -0.847 16.161 0.258) 16.186 4.637 ( -0.394 4.215 1.428) 4.468 4.646 ( -1.163 4.477 0.553) 4.658 4.763 ( 2.378 5.455 2.742) 6.552 4.783 ( 0.491 4.975 1.101) 5.119 4.913 ( -0.189 0.305 0.193) 0.408 4.927 ( -1.368 0.915 -0.939) 1.895 5.536 ( 1.815 12.263 0.207) 12.399 5.545 ( 1.153 11.843 -0.664) 11.917 5.596 ( -1.571 9.854 -0.151) 9.980 5.599 ( -1.589 9.690 -0.466) 9.830 5.791 ( 0.636 10.969 1.421) 11.079 5.797 ( 0.020 10.574 0.840) 10.607 5.905 ( 0.121 6.178 1.224) 6.299 5.909 ( -0.351 5.805 0.817) 5.872 7.184 ( 1.442 -8.188 -0.231) 8.318 7.214 ( -1.666 -8.196 -0.454) 8.376 7.232 ( 1.426 -10.045 -4.342) 11.035 7.266 ( -2.065 -10.113 -4.856) 11.407 7.923 ( 6.740 -2.215 0.010) 7.095 7.961 ( 8.029 -3.979 -3.809) 9.737 8.068 ( -9.185 0.453 0.861) 9.236 8.124 ( -9.954 -2.074 -4.670) 11.189 8.737 ( 10.070 -1.207 1.563) 10.262 8.765 ( 9.230 -2.073 -1.143) 9.529 8.932 ( -8.010 0.018 1.098) 8.085 8.950 ( -7.850 -0.274 -0.681) 7.884 9.500 ( 1.925 3.510 1.792) 4.386 9.516 ( 0.246 3.521 0.238) 3.538 9.623 ( 0.349 -0.949 1.797) 2.062 9.635 ( -0.847 -0.961 0.771) 1.495 9.960 ( 1.659 3.222 1.075) 3.780 9.974 ( 0.784 3.115 -0.414) 3.239 10.051 ( -0.938 1.335 1.206) 2.029 10.068 ( -2.194 0.901 -0.528) 2.429 10.223 ( 1.345 4.269 3.257) 5.535 10.246 ( -1.139 4.129 1.242) 4.460 10.276 ( 0.863 1.066 1.653) 2.148 10.288 ( -0.147 1.414 0.746) 1.605 10.438 ( 1.200 -1.749 -0.616) 2.209 10.456 ( -0.653 -2.611 -1.835) 3.258 10.525 ( 0.001 -3.570 -0.523) 3.608 10.533 ( -0.878 -4.202 -1.206) 4.459 10.913 ( 1.198 0.108 -1.757) 2.129 10.929 ( 0.235 -0.532 -3.149) 3.203 10.940 ( -0.364 -0.167 -2.333) 2.367 10.952 ( -0.916 -0.620 -3.346) 3.524 11.421 ( 0.770 1.797 0.904) 2.154 11.429 ( 0.114 1.476 0.135) 1.486 11.455 ( 0.052 1.129 0.739) 1.350 11.466 ( -0.899 0.774 -0.328) 1.231 12.073 ( 0.852 4.590 7.705) 9.009 12.090 ( -0.918 4.433 7.877) 9.086 12.209 ( 1.063 4.139 -4.069) 5.901 12.228 ( -1.001 3.593 -4.122) 5.559 12.408 ( 0.529 -4.765 7.555) 8.947 12.418 ( -0.604 -4.351 6.460) 7.812 12.569 ( 0.464 -5.866 -6.799) 8.991 12.576 ( -0.355 -6.536 -7.182) 9.718 13.415 ( 0.524 0.173 2.463) 2.524 13.425 ( -0.584 -0.462 2.540) 2.647 13.449 ( 0.670 -2.012 -1.004) 2.346 13.461 ( -0.605 -2.270 -1.043) 2.571 ======================= Grid point 201 (79/80) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.706 ( 0.000 -3.243 0.227) 3.251 3.706 ( 0.000 3.243 0.227) 3.251 3.713 ( 0.000 -3.724 0.066) 3.725 3.713 ( 0.000 3.724 0.066) 3.725 3.860 ( 0.000 -0.913 0.140) 0.924 3.860 ( 0.000 0.913 0.140) 0.924 3.891 ( 0.000 -0.353 0.223) 0.417 3.891 ( 0.000 0.353 0.223) 0.417 4.586 ( 0.000 -2.465 0.995) 2.658 4.586 ( 0.000 2.465 0.995) 2.658 4.698 ( 0.000 -0.716 0.203) 0.744 4.698 ( 0.000 0.716 0.203) 0.744 4.791 ( 0.000 -0.597 1.883) 1.976 4.791 ( 0.000 0.597 1.883) 1.976 4.936 ( 0.000 -1.225 1.546) 1.973 4.936 ( 0.000 1.225 1.546) 1.973 5.652 ( 0.000 -0.357 -0.266) 0.445 5.652 ( 0.000 0.357 -0.266) 0.445 5.710 ( 0.000 -0.042 -0.384) 0.386 5.710 ( 0.000 0.042 -0.384) 0.386 5.913 ( 0.000 -0.227 0.993) 1.018 5.913 ( 0.000 0.227 0.993) 1.018 5.956 ( 0.000 -0.120 1.086) 1.092 5.956 ( 0.000 0.120 1.086) 1.092 7.098 ( 0.000 -1.158 -2.744) 2.978 7.098 ( 0.000 1.158 -2.744) 2.978 7.163 ( 0.000 -1.415 -2.684) 3.034 7.163 ( 0.000 1.415 -2.684) 3.034 7.835 ( 0.000 -0.520 -1.964) 2.032 7.835 ( 0.000 0.520 -1.964) 2.032 8.215 ( 0.000 -1.680 -2.019) 2.627 8.215 ( 0.000 1.680 -2.019) 2.627 8.595 ( 0.000 -0.860 -0.035) 0.861 8.595 ( 0.000 0.860 -0.035) 0.861 9.034 ( 0.000 -0.494 0.534) 0.728 9.034 ( 0.000 0.494 0.534) 0.728 9.560 ( 0.000 -3.173 2.068) 3.787 9.560 ( 0.000 3.173 2.068) 3.787 9.596 ( 0.000 -2.825 0.311) 2.842 9.596 ( 0.000 2.825 0.311) 2.842 9.970 ( 0.000 -0.376 0.002) 0.376 9.970 ( 0.000 0.376 0.002) 0.376 10.112 ( 0.000 -0.373 0.177) 0.413 10.112 ( 0.000 0.373 0.177) 0.413 10.261 ( 0.000 -1.366 3.974) 4.203 10.261 ( 0.000 1.366 3.974) 4.203 10.298 ( 0.000 -0.269 0.503) 0.571 10.298 ( 0.000 0.269 0.503) 0.571 10.450 ( 0.000 -1.392 -1.242) 1.866 10.450 ( 0.000 1.392 -1.242) 1.866 10.463 ( 0.000 -0.414 -1.190) 1.260 10.463 ( 0.000 0.414 -1.190) 1.260 10.911 ( 0.000 -0.527 -2.991) 3.037 10.911 ( 0.000 0.527 -2.991) 3.037 10.947 ( 0.000 -0.331 -2.941) 2.959 10.947 ( 0.000 0.331 -2.941) 2.959 11.433 ( 0.000 -0.202 0.194) 0.281 11.433 ( 0.000 0.202 0.194) 0.281 11.482 ( 0.000 -0.407 0.428) 0.591 11.482 ( 0.000 0.407 0.428) 0.591 12.179 ( 0.000 -5.741 7.622) 9.542 12.179 ( 0.000 5.741 7.622) 9.542 12.205 ( 0.000 -5.575 7.855) 9.633 12.205 ( 0.000 5.575 7.855) 9.633 12.425 ( 0.000 -6.809 -5.635) 8.838 12.425 ( 0.000 6.809 -5.635) 8.838 12.450 ( 0.000 -5.705 -6.822) 8.893 12.450 ( 0.000 5.705 -6.822) 8.893 13.422 ( 0.000 -0.239 1.528) 1.547 13.422 ( 0.000 0.239 1.528) 1.547 13.428 ( 0.000 -1.313 0.950) 1.621 13.428 ( 0.000 1.313 0.950) 1.621 ======================= Grid point 203 (80/80) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 2.54e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.708 ( 0.243 -3.440 0.167) 3.453 3.708 ( 0.243 3.440 0.167) 3.453 3.712 ( -0.159 -3.691 0.076) 3.695 3.712 ( -0.159 3.691 0.076) 3.695 3.867 ( 0.787 -0.551 0.204) 0.982 3.867 ( 0.787 0.551 0.204) 0.982 3.882 ( -0.893 -0.092 0.240) 0.929 3.882 ( -0.893 0.092 0.240) 0.929 4.605 ( 2.105 -2.285 0.873) 3.227 4.605 ( 2.105 2.285 0.873) 3.227 4.654 ( -3.463 -1.805 0.608) 3.952 4.654 ( -3.463 1.805 0.608) 3.952 4.843 ( 4.331 -1.259 1.571) 4.776 4.843 ( 4.331 1.259 1.571) 4.776 4.909 ( -3.033 -1.263 1.533) 3.626 4.909 ( -3.033 1.263 1.533) 3.626 5.666 ( 1.533 -0.281 -0.271) 1.582 5.666 ( 1.533 0.281 -0.271) 1.582 5.695 ( -1.590 -0.138 -0.325) 1.629 5.695 ( -1.590 0.138 -0.325) 1.629 5.925 ( 1.213 -0.192 0.992) 1.579 5.925 ( 1.213 0.192 0.992) 1.579 5.946 ( -1.057 -0.119 1.044) 1.491 5.946 ( -1.057 0.119 1.044) 1.491 7.111 ( 1.476 -1.224 -2.735) 3.340 7.111 ( 1.476 1.224 -2.735) 3.340 7.143 ( -1.992 -1.354 -2.706) 3.623 7.143 ( -1.992 1.354 -2.706) 3.623 7.910 ( 8.296 -1.002 -1.915) 8.573 7.910 ( 8.296 1.002 -1.915) 8.573 8.085 ( -11.324 -1.452 -1.871) 11.569 8.085 ( -11.324 1.452 -1.871) 11.569 8.736 ( 12.579 -0.849 -0.069) 12.608 8.736 ( 12.579 0.849 -0.069) 12.608 8.939 ( -10.084 -0.635 0.273) 10.107 8.939 ( -10.084 0.635 0.273) 10.107 9.576 ( 1.348 -2.982 1.697) 3.687 9.576 ( 1.348 2.982 1.697) 3.687 9.592 ( -0.508 -2.800 0.781) 2.951 9.592 ( -0.508 2.800 0.781) 2.951 10.003 ( 3.634 -0.564 0.195) 3.683 10.003 ( 3.634 0.564 0.195) 3.683 10.073 ( -3.970 -0.561 0.403) 4.030 10.073 ( -3.970 0.561 0.403) 4.030 10.276 ( 1.253 -1.283 2.858) 3.375 10.276 ( 1.253 1.283 2.858) 3.375 10.293 ( -0.672 -0.832 1.254) 1.648 10.293 ( -0.672 0.832 1.254) 1.648 10.452 ( 0.289 -1.147 -1.251) 1.722 10.452 ( 0.289 1.147 -1.251) 1.722 10.459 ( -0.398 -0.675 -1.222) 1.452 10.459 ( -0.398 0.675 -1.222) 1.452 10.920 ( 0.981 -0.491 -2.987) 3.183 10.920 ( 0.981 0.491 -2.987) 3.183 10.938 ( -0.957 -0.394 -2.962) 3.138 10.938 ( -0.957 0.394 -2.962) 3.138 11.445 ( 1.315 -0.297 0.257) 1.373 11.445 ( 1.315 0.297 0.257) 1.373 11.470 ( -1.315 -0.395 0.374) 1.423 11.470 ( -1.315 0.395 0.374) 1.423 12.185 ( 0.686 -5.711 7.680) 9.595 12.185 ( 0.686 5.711 7.680) 9.595 12.198 ( -0.716 -5.631 7.794) 9.641 12.198 ( -0.716 5.631 7.794) 9.641 12.432 ( 0.705 -6.531 -5.922) 8.845 12.432 ( 0.705 6.531 -5.922) 8.845 12.444 ( -0.633 -5.982 -6.518) 8.869 12.444 ( -0.633 5.982 -6.518) 8.869 13.424 ( 0.169 -0.560 1.381) 1.500 13.424 ( 0.169 0.560 1.381) 1.500 13.427 ( -0.177 -1.073 1.091) 1.541 13.427 ( -0.177 1.073 1.091) 1.541 =================== 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 3/27216 10.0 4798.674 3601.278 3221.544 0.000 0.000 0.000 3/27216 20.0 1388.815 1938.826 1606.713 0.000 0.000 0.000 3/27216 30.0 577.258 1173.029 767.242 0.000 0.000 0.000 3/27216 40.0 343.114 859.966 456.795 0.000 0.000 0.000 3/27216 50.0 240.098 677.472 311.117 0.000 0.000 0.000 3/27216 60.0 178.869 539.435 226.729 0.000 0.000 0.000 3/27216 70.0 137.387 430.932 171.794 0.000 0.000 0.000 3/27216 80.0 108.013 347.541 133.964 0.000 0.000 0.000 3/27216 90.0 86.829 284.516 107.118 0.000 0.000 0.000 3/27216 100.0 71.322 237.004 87.646 0.000 0.000 0.000 3/27216 110.0 59.780 200.912 73.238 0.000 0.000 0.000 3/27216 120.0 51.033 173.132 62.365 0.000 0.000 0.000 3/27216 130.0 44.279 151.410 53.999 0.000 0.000 0.000 3/27216 140.0 38.968 134.148 47.442 0.000 0.000 0.000 3/27216 150.0 34.719 120.209 42.210 0.000 0.000 0.000 3/27216 160.0 31.264 108.783 37.968 0.000 0.000 0.000 3/27216 170.0 28.413 99.287 34.477 0.000 0.000 0.000 3/27216 180.0 26.029 91.294 31.563 0.000 0.000 0.000 3/27216 190.0 24.011 84.489 29.102 0.000 0.000 0.000 3/27216 200.0 22.283 78.633 26.999 0.000 0.000 0.000 3/27216 210.0 20.790 73.547 25.184 0.000 0.000 0.000 3/27216 220.0 19.487 69.092 23.604 0.000 0.000 0.000 3/27216 230.0 18.342 65.159 22.215 0.000 0.000 0.000 3/27216 240.0 17.327 61.662 20.987 0.000 0.000 0.000 3/27216 250.0 16.422 58.533 19.892 0.000 0.000 0.000 3/27216 260.0 15.610 55.718 18.911 0.000 0.000 0.000 3/27216 270.0 14.878 53.171 18.026 0.000 0.000 0.000 3/27216 280.0 14.214 50.855 17.224 0.000 0.000 0.000 3/27216 290.0 13.609 48.741 16.494 0.000 0.000 0.000 3/27216 300.0 13.056 46.803 15.827 0.000 0.000 0.000 3/27216 310.0 12.547 45.019 15.213 0.000 0.000 0.000 3/27216 320.0 12.079 43.372 14.648 0.000 0.000 0.000 3/27216 330.0 11.645 41.846 14.126 0.000 0.000 0.000 3/27216 340.0 11.243 40.429 13.641 0.000 0.000 0.000 3/27216 350.0 10.870 39.108 13.190 0.000 0.000 0.000 3/27216 360.0 10.521 37.874 12.770 0.000 0.000 0.000 3/27216 370.0 10.195 36.718 12.376 0.000 0.000 0.000 3/27216 380.0 9.889 35.634 12.008 0.000 0.000 0.000 3/27216 390.0 9.602 34.615 11.661 0.000 0.000 0.000 3/27216 400.0 9.331 33.654 11.335 0.000 0.000 0.000 3/27216 410.0 9.077 32.748 11.028 0.000 0.000 0.000 3/27216 420.0 8.836 31.890 10.737 0.000 0.000 0.000 3/27216 430.0 8.608 31.078 10.462 0.000 0.000 0.000 3/27216 440.0 8.392 30.308 10.202 0.000 0.000 0.000 3/27216 450.0 8.187 29.576 9.954 0.000 0.000 0.000 3/27216 460.0 7.992 28.880 9.719 0.000 0.000 0.000 3/27216 470.0 7.807 28.217 9.495 0.000 0.000 0.000 3/27216 480.0 7.630 27.585 9.281 0.000 0.000 0.000 3/27216 490.0 7.461 26.982 9.078 0.000 0.000 0.000 3/27216 500.0 7.300 26.405 8.883 0.000 0.000 0.000 3/27216 510.0 7.146 25.853 8.697 0.000 0.000 0.000 3/27216 520.0 6.999 25.324 8.518 0.000 0.000 0.000 3/27216 530.0 6.857 24.817 8.347 0.000 0.000 0.000 3/27216 540.0 6.722 24.330 8.183 0.000 0.000 0.000 3/27216 550.0 6.591 23.863 8.026 0.000 0.000 0.000 3/27216 560.0 6.466 23.414 7.875 0.000 0.000 0.000 3/27216 570.0 6.346 22.981 7.729 0.000 0.000 0.000 3/27216 580.0 6.230 22.565 7.589 0.000 0.000 0.000 3/27216 590.0 6.119 22.164 7.454 0.000 0.000 0.000 3/27216 600.0 6.011 21.778 7.324 0.000 0.000 0.000 3/27216 610.0 5.908 21.405 7.198 0.000 0.000 0.000 3/27216 620.0 5.808 21.044 7.077 0.000 0.000 0.000 3/27216 630.0 5.711 20.696 6.960 0.000 0.000 0.000 3/27216 640.0 5.617 20.360 6.847 0.000 0.000 0.000 3/27216 650.0 5.527 20.034 6.737 0.000 0.000 0.000 3/27216 660.0 5.440 19.719 6.631 0.000 0.000 0.000 3/27216 670.0 5.355 19.414 6.529 0.000 0.000 0.000 3/27216 680.0 5.273 19.119 6.429 0.000 0.000 0.000 3/27216 690.0 5.194 18.832 6.333 0.000 0.000 0.000 3/27216 700.0 5.117 18.554 6.240 0.000 0.000 0.000 3/27216 710.0 5.042 18.285 6.149 0.000 0.000 0.000 3/27216 720.0 4.969 18.023 6.061 0.000 0.000 0.000 3/27216 730.0 4.899 17.768 5.976 0.000 0.000 0.000 3/27216 740.0 4.830 17.521 5.893 0.000 0.000 0.000 3/27216 750.0 4.764 17.281 5.812 0.000 0.000 0.000 3/27216 760.0 4.699 17.048 5.733 0.000 0.000 0.000 3/27216 770.0 4.636 16.820 5.657 0.000 0.000 0.000 3/27216 780.0 4.575 16.599 5.583 0.000 0.000 0.000 3/27216 790.0 4.515 16.384 5.510 0.000 0.000 0.000 3/27216 800.0 4.457 16.174 5.440 0.000 0.000 0.000 3/27216 810.0 4.401 15.970 5.371 0.000 0.000 0.000 3/27216 820.0 4.346 15.770 5.304 0.000 0.000 0.000 3/27216 830.0 4.292 15.576 5.239 0.000 0.000 0.000 3/27216 840.0 4.239 15.387 5.175 0.000 0.000 0.000 3/27216 850.0 4.188 15.202 5.113 0.000 0.000 0.000 3/27216 860.0 4.138 15.021 5.052 0.000 0.000 0.000 3/27216 870.0 4.090 14.845 4.993 0.000 0.000 0.000 3/27216 880.0 4.042 14.673 4.936 0.000 0.000 0.000 3/27216 890.0 3.996 14.505 4.879 0.000 0.000 0.000 3/27216 900.0 3.950 14.341 4.824 0.000 0.000 0.000 3/27216 910.0 3.906 14.181 4.770 0.000 0.000 0.000 3/27216 920.0 3.863 14.024 4.717 0.000 0.000 0.000 3/27216 930.0 3.820 13.871 4.666 0.000 0.000 0.000 3/27216 940.0 3.779 13.721 4.615 0.000 0.000 0.000 3/27216 950.0 3.738 13.574 4.566 0.000 0.000 0.000 3/27216 960.0 3.699 13.430 4.518 0.000 0.000 0.000 3/27216 970.0 3.660 13.290 4.471 0.000 0.000 0.000 3/27216 980.0 3.622 13.152 4.424 0.000 0.000 0.000 3/27216 990.0 3.585 13.017 4.379 0.000 0.000 0.000 3/27216 1000.0 3.548 12.885 4.335 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m3149.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:18:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|