----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:39:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.677566139556260 -2.898529550000000 0.000000000000000 b 10.677566139556260 2.898529550000000 0.000000000000000 c -6.131077114766373 0.000000000000000 10.229688104386863 Atomic positions (fractional): *1 Na 0.76040281080215 0.74595984358137 0.12593572808433 22.990 *2 Na 0.40221851475259 0.45239251127821 0.80766232409687 22.990 3 Na 0.74595984358137 0.76040281080215 0.62593572808433 22.990 4 Na 0.25404015641863 0.23959718919785 0.37406427191567 22.990 5 Na 0.54760748872179 0.59778148524741 0.69233767590313 22.990 6 Na 0.23959718919785 0.25404015641863 0.87406427191567 22.990 7 Na 0.45239251127821 0.40221851475259 0.30766232409687 22.990 8 Na 0.59778148524741 0.54760748872179 0.19233767590313 22.990 *9 Te 0.85664414884445 0.93317460350582 0.99510859595383 127.600 10 Te 0.14335585115555 0.06682539649418 0.00489140404617 127.600 11 Te 0.06682539649419 0.14335585115555 0.50489140404617 127.600 12 Te 0.93317460350582 0.85664414884445 0.49510859595383 127.600 *13 Se 0.76447370016765 0.75148543737856 0.38168595368650 78.960 *14 Se 0.43535771067667 0.38622881715610 0.04340833048703 78.960 15 Se 0.23552629983236 0.24851456262144 0.61831404631350 78.960 16 Se 0.56464228932333 0.61377118284390 0.95659166951297 78.960 *17 Se 0.10567468174113 0.05633651520412 0.19242589514065 78.960 18 Se 0.75148543737856 0.76447370016765 0.88168595368650 78.960 19 Se 0.38622881715610 0.43535771067667 0.54340833048703 78.960 20 Se 0.61377118284390 0.56464228932333 0.45659166951297 78.960 21 Se 0.05633651520412 0.10567468174113 0.69242589514065 78.960 22 Se 0.24851456262144 0.23552629983235 0.11831404631350 78.960 23 Se 0.89432531825887 0.94366348479588 0.80757410485935 78.960 24 Se 0.94366348479588 0.89432531825887 0.30757410485935 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 21.355132279112521 0.000000000000000 0.000000000000000 b 0.000000000000000 5.797059100000000 0.000000000000000 c -6.131077114766373 0.000000000000000 10.229688104386863 Atomic positions (fractional): *1 Na 0.75318132719176 0.99277851638961 0.12593572808433 22.990 > 1 *2 Na 0.92730551301540 0.52508699826281 0.80766232409687 22.990 > 2 3 Na 0.25318132719176 0.50722148361039 0.62593572808433 22.990 > 3 4 Na 0.74681867280824 0.49277851638961 0.37406427191567 22.990 > 4 5 Na 0.07269448698460 0.52508699826281 0.69233767590313 22.990 > 5 6 Na 0.24681867280824 0.00722148361039 0.87406427191567 22.990 > 6 7 Na 0.92730551301540 0.47491300173719 0.30766232409687 22.990 > 7 8 Na 0.07269448698460 0.47491300173719 0.19233767590313 22.990 > 8 9 Na 0.25318132719176 0.49277851638961 0.12593572808433 22.990 > 1 10 Na 0.42730551301540 0.02508699826281 0.80766232409687 22.990 > 2 11 Na 0.75318132719176 0.00722148361039 0.62593572808433 22.990 > 3 12 Na 0.24681867280824 0.99277851638961 0.37406427191567 22.990 > 4 13 Na 0.57269448698460 0.02508699826281 0.69233767590313 22.990 > 5 14 Na 0.74681867280824 0.50722148361039 0.87406427191567 22.990 > 6 15 Na 0.42730551301540 0.97491300173719 0.30766232409687 22.990 > 7 16 Na 0.57269448698460 0.97491300173719 0.19233767590313 22.990 > 8 *17 Te 0.39490937617513 0.53826522733068 0.99510859595383 127.600 > 9 18 Te 0.60509062382487 0.46173477266932 0.00489140404617 127.600 > 10 19 Te 0.10509062382487 0.03826522733068 0.50489140404617 127.600 > 11 20 Te 0.89490937617513 0.96173477266932 0.49510859595383 127.600 > 12 21 Te 0.89490937617513 0.03826522733068 0.99510859595383 127.600 > 9 22 Te 0.10509062382487 0.96173477266932 0.00489140404617 127.600 > 10 23 Te 0.60509062382487 0.53826522733068 0.50489140404617 127.600 > 11 24 Te 0.39490937617513 0.46173477266932 0.49510859595383 127.600 > 12 *25 Se 0.75797956877310 0.99350586860546 0.38168595368650 78.960 > 13 *26 Se 0.91079326391639 0.47543555323971 0.04340833048703 78.960 > 14 27 Se 0.24202043122690 0.00649413139454 0.61831404631350 78.960 > 15 28 Se 0.08920673608361 0.52456444676029 0.95659166951297 78.960 > 16 *29 Se 0.08100559847263 0.97533091673150 0.19242589514065 78.960 > 17 30 Se 0.25797956877310 0.50649413139454 0.88168595368650 78.960 > 18 31 Se 0.91079326391639 0.52456444676029 0.54340833048703 78.960 > 19 32 Se 0.08920673608361 0.47543555323971 0.45659166951297 78.960 > 20 33 Se 0.08100559847263 0.02466908326850 0.69242589514065 78.960 > 21 34 Se 0.74202043122690 0.49350586860546 0.11831404631350 78.960 > 22 35 Se 0.91899440152737 0.02466908326850 0.80757410485935 78.960 > 23 36 Se 0.91899440152737 0.97533091673150 0.30757410485935 78.960 > 24 37 Se 0.25797956877310 0.49350586860546 0.38168595368650 78.960 > 13 38 Se 0.41079326391639 0.97543555323971 0.04340833048703 78.960 > 14 39 Se 0.74202043122690 0.50649413139454 0.61831404631350 78.960 > 15 40 Se 0.58920673608361 0.02456444676029 0.95659166951297 78.960 > 16 41 Se 0.58100559847263 0.47533091673150 0.19242589514065 78.960 > 17 42 Se 0.75797956877310 0.00649413139454 0.88168595368650 78.960 > 18 43 Se 0.41079326391639 0.02456444676029 0.54340833048703 78.960 > 19 44 Se 0.58920673608361 0.97543555323971 0.45659166951297 78.960 > 20 45 Se 0.58100559847263 0.52466908326850 0.69242589514065 78.960 > 21 46 Se 0.24202043122690 0.99350586860546 0.11831404631350 78.960 > 22 47 Se 0.41899440152737 0.52466908326850 0.80757410485935 78.960 > 23 48 Se 0.41899440152737 0.47533091673150 0.30757410485935 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.355132279112521 0.000000000000000 0.000000000000000 b 0.000000000000000 17.391177300000003 0.000000000000000 c -6.131077114766373 0.000000000000000 10.229688104386863 Atomic positions (fractional): *1 Na 0.75318132719176 0.33092617212987 0.12593572808433 22.990 > 1 2 Na 0.75318132719176 0.66425950546320 0.12593572808433 22.990 > 1 3 Na 0.75318132719176 0.99759283879654 0.12593572808433 22.990 > 1 *4 Na 0.92730551301540 0.17502899942094 0.80766232409687 22.990 > 2 5 Na 0.92730551301540 0.50836233275427 0.80766232409687 22.990 > 2 6 Na 0.92730551301540 0.84169566608760 0.80766232409687 22.990 > 2 7 Na 0.25318132719176 0.16907382787013 0.62593572808433 22.990 > 3 8 Na 0.25318132719176 0.50240716120346 0.62593572808433 22.990 > 3 9 Na 0.25318132719176 0.83574049453680 0.62593572808433 22.990 > 3 10 Na 0.74681867280824 0.16425950546320 0.37406427191567 22.990 > 4 11 Na 0.74681867280824 0.49759283879654 0.37406427191567 22.990 > 4 12 Na 0.74681867280824 0.83092617212987 0.37406427191567 22.990 > 4 13 Na 0.07269448698460 0.17502899942094 0.69233767590313 22.990 > 5 14 Na 0.07269448698460 0.50836233275427 0.69233767590313 22.990 > 5 15 Na 0.07269448698460 0.84169566608760 0.69233767590313 22.990 > 5 16 Na 0.24681867280824 0.00240716120346 0.87406427191567 22.990 > 6 17 Na 0.24681867280824 0.33574049453680 0.87406427191567 22.990 > 6 18 Na 0.24681867280824 0.66907382787013 0.87406427191567 22.990 > 6 19 Na 0.92730551301540 0.15830433391240 0.30766232409687 22.990 > 7 20 Na 0.92730551301540 0.49163766724573 0.30766232409687 22.990 > 7 21 Na 0.92730551301540 0.82497100057906 0.30766232409687 22.990 > 7 22 Na 0.07269448698460 0.15830433391240 0.19233767590313 22.990 > 8 23 Na 0.07269448698460 0.49163766724573 0.19233767590313 22.990 > 8 24 Na 0.07269448698460 0.82497100057906 0.19233767590313 22.990 > 8 25 Na 0.25318132719176 0.16425950546320 0.12593572808433 22.990 > 1 26 Na 0.25318132719176 0.49759283879654 0.12593572808433 22.990 > 1 27 Na 0.25318132719176 0.83092617212987 0.12593572808433 22.990 > 1 28 Na 0.42730551301540 0.00836233275427 0.80766232409687 22.990 > 2 29 Na 0.42730551301540 0.34169566608760 0.80766232409687 22.990 > 2 30 Na 0.42730551301540 0.67502899942094 0.80766232409687 22.990 > 2 31 Na 0.75318132719176 0.00240716120346 0.62593572808433 22.990 > 3 32 Na 0.75318132719176 0.33574049453680 0.62593572808433 22.990 > 3 33 Na 0.75318132719176 0.66907382787013 0.62593572808433 22.990 > 3 34 Na 0.24681867280824 0.33092617212987 0.37406427191567 22.990 > 4 35 Na 0.24681867280824 0.66425950546320 0.37406427191567 22.990 > 4 36 Na 0.24681867280824 0.99759283879654 0.37406427191567 22.990 > 4 37 Na 0.57269448698460 0.00836233275427 0.69233767590313 22.990 > 5 38 Na 0.57269448698460 0.34169566608760 0.69233767590313 22.990 > 5 39 Na 0.57269448698460 0.67502899942094 0.69233767590313 22.990 > 5 40 Na 0.74681867280824 0.16907382787013 0.87406427191567 22.990 > 6 41 Na 0.74681867280824 0.50240716120346 0.87406427191567 22.990 > 6 42 Na 0.74681867280824 0.83574049453680 0.87406427191567 22.990 > 6 43 Na 0.42730551301540 0.32497100057906 0.30766232409687 22.990 > 7 44 Na 0.42730551301540 0.65830433391240 0.30766232409687 22.990 > 7 45 Na 0.42730551301540 0.99163766724573 0.30766232409687 22.990 > 7 46 Na 0.57269448698460 0.32497100057906 0.19233767590313 22.990 > 8 47 Na 0.57269448698460 0.65830433391240 0.19233767590313 22.990 > 8 48 Na 0.57269448698460 0.99163766724573 0.19233767590313 22.990 > 8 *49 Te 0.39490937617513 0.17942174244356 0.99510859595383 127.600 > 9 50 Te 0.39490937617513 0.51275507577689 0.99510859595383 127.600 > 9 51 Te 0.39490937617513 0.84608840911023 0.99510859595383 127.600 > 9 52 Te 0.60509062382487 0.15391159088977 0.00489140404617 127.600 > 10 53 Te 0.60509062382487 0.48724492422311 0.00489140404617 127.600 > 10 54 Te 0.60509062382487 0.82057825755644 0.00489140404617 127.600 > 10 55 Te 0.10509062382487 0.01275507577689 0.50489140404617 127.600 > 11 56 Te 0.10509062382487 0.34608840911023 0.50489140404617 127.600 > 11 57 Te 0.10509062382487 0.67942174244356 0.50489140404617 127.600 > 11 58 Te 0.89490937617513 0.32057825755644 0.49510859595383 127.600 > 12 59 Te 0.89490937617513 0.65391159088977 0.49510859595383 127.600 > 12 60 Te 0.89490937617513 0.98724492422311 0.49510859595383 127.600 > 12 61 Te 0.89490937617513 0.01275507577689 0.99510859595383 127.600 > 9 62 Te 0.89490937617513 0.34608840911023 0.99510859595383 127.600 > 9 63 Te 0.89490937617513 0.67942174244356 0.99510859595383 127.600 > 9 64 Te 0.10509062382487 0.32057825755644 0.00489140404617 127.600 > 10 65 Te 0.10509062382487 0.65391159088977 0.00489140404617 127.600 > 10 66 Te 0.10509062382487 0.98724492422311 0.00489140404617 127.600 > 10 67 Te 0.60509062382487 0.17942174244356 0.50489140404617 127.600 > 11 68 Te 0.60509062382487 0.51275507577689 0.50489140404617 127.600 > 11 69 Te 0.60509062382487 0.84608840911023 0.50489140404617 127.600 > 11 70 Te 0.39490937617513 0.15391159088977 0.49510859595383 127.600 > 12 71 Te 0.39490937617513 0.48724492422311 0.49510859595383 127.600 > 12 72 Te 0.39490937617513 0.82057825755644 0.49510859595383 127.600 > 12 *73 Se 0.75797956877310 0.33116862286849 0.38168595368650 78.960 > 13 74 Se 0.75797956877310 0.66450195620182 0.38168595368650 78.960 > 13 75 Se 0.75797956877310 0.99783528953515 0.38168595368650 78.960 > 13 *76 Se 0.91079326391639 0.15847851774657 0.04340833048703 78.960 > 14 77 Se 0.91079326391639 0.49181185107990 0.04340833048703 78.960 > 14 78 Se 0.91079326391639 0.82514518441324 0.04340833048703 78.960 > 14 79 Se 0.24202043122690 0.00216471046485 0.61831404631350 78.960 > 15 80 Se 0.24202043122690 0.33549804379818 0.61831404631350 78.960 > 15 81 Se 0.24202043122690 0.66883137713151 0.61831404631350 78.960 > 15 82 Se 0.08920673608361 0.17485481558676 0.95659166951297 78.960 > 16 83 Se 0.08920673608361 0.50818814892010 0.95659166951297 78.960 > 16 84 Se 0.08920673608361 0.84152148225343 0.95659166951297 78.960 > 16 *85 Se 0.08100559847263 0.32511030557717 0.19242589514065 78.960 > 17 86 Se 0.08100559847263 0.65844363891050 0.19242589514065 78.960 > 17 87 Se 0.08100559847263 0.99177697224383 0.19242589514065 78.960 > 17 88 Se 0.25797956877310 0.16883137713151 0.88168595368650 78.960 > 18 89 Se 0.25797956877310 0.50216471046485 0.88168595368650 78.960 > 18 90 Se 0.25797956877310 0.83549804379818 0.88168595368650 78.960 > 18 91 Se 0.91079326391639 0.17485481558676 0.54340833048703 78.960 > 19 92 Se 0.91079326391639 0.50818814892010 0.54340833048703 78.960 > 19 93 Se 0.91079326391639 0.84152148225343 0.54340833048703 78.960 > 19 94 Se 0.08920673608361 0.15847851774657 0.45659166951297 78.960 > 20 95 Se 0.08920673608361 0.49181185107990 0.45659166951297 78.960 > 20 96 Se 0.08920673608361 0.82514518441324 0.45659166951297 78.960 > 20 97 Se 0.08100559847263 0.00822302775617 0.69242589514065 78.960 > 21 98 Se 0.08100559847263 0.34155636108950 0.69242589514065 78.960 > 21 99 Se 0.08100559847263 0.67488969442283 0.69242589514065 78.960 > 21 100 Se 0.74202043122690 0.16450195620182 0.11831404631350 78.960 > 22 101 Se 0.74202043122690 0.49783528953515 0.11831404631350 78.960 > 22 102 Se 0.74202043122690 0.83116862286849 0.11831404631350 78.960 > 22 103 Se 0.91899440152737 0.00822302775617 0.80757410485935 78.960 > 23 104 Se 0.91899440152737 0.34155636108950 0.80757410485935 78.960 > 23 105 Se 0.91899440152737 0.67488969442283 0.80757410485935 78.960 > 23 106 Se 0.91899440152737 0.32511030557717 0.30757410485935 78.960 > 24 107 Se 0.91899440152737 0.65844363891050 0.30757410485935 78.960 > 24 108 Se 0.91899440152737 0.99177697224383 0.30757410485935 78.960 > 24 109 Se 0.25797956877310 0.16450195620182 0.38168595368650 78.960 > 13 110 Se 0.25797956877310 0.49783528953515 0.38168595368650 78.960 > 13 111 Se 0.25797956877310 0.83116862286849 0.38168595368650 78.960 > 13 112 Se 0.41079326391639 0.32514518441324 0.04340833048703 78.960 > 14 113 Se 0.41079326391639 0.65847851774657 0.04340833048703 78.960 > 14 114 Se 0.41079326391639 0.99181185107990 0.04340833048703 78.960 > 14 115 Se 0.74202043122690 0.16883137713151 0.61831404631350 78.960 > 15 116 Se 0.74202043122690 0.50216471046485 0.61831404631350 78.960 > 15 117 Se 0.74202043122690 0.83549804379818 0.61831404631350 78.960 > 15 118 Se 0.58920673608361 0.00818814892010 0.95659166951297 78.960 > 16 119 Se 0.58920673608361 0.34152148225343 0.95659166951297 78.960 > 16 120 Se 0.58920673608361 0.67485481558676 0.95659166951297 78.960 > 16 121 Se 0.58100559847263 0.15844363891050 0.19242589514065 78.960 > 17 122 Se 0.58100559847263 0.49177697224383 0.19242589514065 78.960 > 17 123 Se 0.58100559847263 0.82511030557717 0.19242589514065 78.960 > 17 124 Se 0.75797956877310 0.00216471046485 0.88168595368650 78.960 > 18 125 Se 0.75797956877310 0.33549804379818 0.88168595368650 78.960 > 18 126 Se 0.75797956877310 0.66883137713151 0.88168595368650 78.960 > 18 127 Se 0.41079326391639 0.00818814892010 0.54340833048703 78.960 > 19 128 Se 0.41079326391639 0.34152148225343 0.54340833048703 78.960 > 19 129 Se 0.41079326391639 0.67485481558676 0.54340833048703 78.960 > 19 130 Se 0.58920673608361 0.32514518441324 0.45659166951297 78.960 > 20 131 Se 0.58920673608361 0.65847851774657 0.45659166951297 78.960 > 20 132 Se 0.58920673608361 0.99181185107990 0.45659166951297 78.960 > 20 133 Se 0.58100559847263 0.17488969442283 0.69242589514065 78.960 > 21 134 Se 0.58100559847263 0.50822302775617 0.69242589514065 78.960 > 21 135 Se 0.58100559847263 0.84155636108950 0.69242589514065 78.960 > 21 136 Se 0.24202043122690 0.33116862286849 0.11831404631350 78.960 > 22 137 Se 0.24202043122690 0.66450195620182 0.11831404631350 78.960 > 22 138 Se 0.24202043122690 0.99783528953515 0.11831404631350 78.960 > 22 139 Se 0.41899440152737 0.17488969442283 0.80757410485935 78.960 > 23 140 Se 0.41899440152737 0.50822302775617 0.80757410485935 78.960 > 23 141 Se 0.41899440152737 0.84155636108950 0.80757410485935 78.960 > 23 142 Se 0.41899440152737 0.15844363891050 0.30757410485935 78.960 > 24 143 Se 0.41899440152737 0.49177697224383 0.30757410485935 78.960 > 24 144 Se 0.41899440152737 0.82511030557717 0.30757410485935 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.2818315 0.0000000 -1.3534040 0.0000000 14.5723180 0.0000000 -1.3534361 0.0000000 8.3821105 -------------------------- Born effective charges -------------------------- 1 Na 0.9756937 -0.0177705 -0.0507820 -0.2167196 1.2064892 -0.2335985 0.0547730 -0.0197133 1.1878623 2 Na 1.2833128 0.0131827 0.1101252 0.5188099 1.2706992 -0.3295084 0.0977490 -0.0090093 1.2232237 3 Na 0.9756937 0.0177705 -0.0507820 0.2167196 1.2064892 0.2335985 0.0547730 0.0197133 1.1878623 4 Na 0.9756937 0.0177705 -0.0507820 0.2167196 1.2064892 0.2335985 0.0547730 0.0197133 1.1878623 5 Na 1.2833128 -0.0131827 0.1101252 -0.5188099 1.2706992 0.3295084 0.0977490 0.0090093 1.2232237 6 Na 0.9756937 -0.0177705 -0.0507820 -0.2167196 1.2064892 -0.2335985 0.0547730 -0.0197133 1.1878623 7 Na 1.2833128 -0.0131827 0.1101252 -0.5188099 1.2706992 0.3295084 0.0977490 0.0090093 1.2232237 8 Na 1.2833128 0.0131827 0.1101252 0.5188099 1.2706992 -0.3295084 0.0977490 -0.0090093 1.2232237 9 Te 4.1644718 -0.0488775 0.2944553 0.0016078 2.5532759 0.6772180 0.0506064 0.7186232 1.4763884 10 Te 4.1644718 -0.0488775 0.2944553 0.0016078 2.5532759 0.6772180 0.0506064 0.7186232 1.4763884 11 Te 4.1644718 0.0488775 0.2944553 -0.0016078 2.5532759 -0.6772180 0.0506064 -0.7186232 1.4763884 12 Te 4.1644718 0.0488775 0.2944553 -0.0016078 2.5532759 -0.6772180 0.0506064 -0.7186232 1.4763884 13 Se -2.4985875 0.0086631 -1.1348163 0.1907070 -0.5329011 -0.0871407 -0.7317866 -0.0101178 -1.0381318 14 Se -1.1849976 -0.0053327 -0.0825258 -0.1154251 -4.0224848 -0.4942727 -0.1215056 -0.7200389 -0.8492819 15 Se -2.4985875 0.0086631 -1.1348163 0.1907070 -0.5329011 -0.0871407 -0.7317866 -0.0101178 -1.0381318 16 Se -1.1849976 -0.0053327 -0.0825258 -0.1154251 -4.0224848 -0.4942727 -0.1215056 -0.7200389 -0.8492819 17 Se -2.7398933 0.1120963 0.8635436 0.2530022 -0.4750784 0.0627234 0.6501639 0.0049817 -2.0000608 18 Se -2.4985875 -0.0086631 -1.1348163 -0.1907070 -0.5329011 0.0871407 -0.7317866 0.0101178 -1.0381318 19 Se -1.1849976 0.0053327 -0.0825258 0.1154251 -4.0224848 0.4942727 -0.1215056 0.7200389 -0.8492819 20 Se -1.1849976 0.0053327 -0.0825258 0.1154251 -4.0224848 0.4942727 -0.1215056 0.7200389 -0.8492819 21 Se -2.7398933 -0.1120963 0.8635436 -0.2530022 -0.4750784 -0.0627234 0.6501639 -0.0049817 -2.0000608 22 Se -2.4985875 -0.0086631 -1.1348163 -0.1907070 -0.5329011 0.0871407 -0.7317866 0.0101178 -1.0381318 23 Se -2.7398933 0.1120963 0.8635436 0.2530022 -0.4750784 0.0627234 0.6501639 0.0049817 -2.0000608 24 Se -2.7398933 -0.1120963 0.8635436 -0.2530022 -0.4750784 -0.0627234 0.6501639 -0.0049817 -2.0000608 ---------------------------------------------------------------------------- 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: 18756/18756 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 353 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 353 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 11), data: (864, 23) @ (23, 11) |-- (364, 353), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 11), data: (864, 23) @ (23, 11) |-- (364, 353), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 1.371 Solver_block: 200 / 720 - Time: 1.268 Solver_block: 300 / 720 - Time: 1.299 Solver_block: 400 / 720 - Time: 1.291 Solver_block: 500 / 720 - Time: 1.257 Solver_block: 600 / 720 - Time: 1.288 Solver_block: 700 / 720 - Time: 1.287 Solver_block: 720 / 720 - Time: 0.393 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.665 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 18756/18756 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 353 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 353 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 11), data: (864, 23) @ (23, 11) |-- (364, 353), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 11), data: (864, 23) @ (23, 11) |-- (364, 353), data: True |-- (500, 488), data: False |-- (500, 11), data: (500, 23) @ (23, 11) |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:40:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:40:23]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.677566139556260 -2.898529550000000 0.000000000000000 b 10.677566139556260 2.898529550000000 0.000000000000000 c -6.131077114766373 0.000000000000000 10.229688104386863 Atomic positions (fractional): 1 Na 0.76040281080215 0.74595984358137 0.12593572808433 22.990 2 Na 0.40221851475259 0.45239251127821 0.80766232409687 22.990 3 Na 0.74595984358137 0.76040281080215 0.62593572808433 22.990 4 Na 0.25404015641863 0.23959718919785 0.37406427191567 22.990 5 Na 0.54760748872179 0.59778148524741 0.69233767590313 22.990 6 Na 0.23959718919785 0.25404015641863 0.87406427191567 22.990 7 Na 0.45239251127821 0.40221851475259 0.30766232409687 22.990 8 Na 0.59778148524741 0.54760748872179 0.19233767590313 22.990 9 Te 0.85664414884445 0.93317460350582 0.99510859595383 127.600 10 Te 0.14335585115555 0.06682539649418 0.00489140404617 127.600 11 Te 0.06682539649419 0.14335585115555 0.50489140404617 127.600 12 Te 0.93317460350582 0.85664414884445 0.49510859595383 127.600 13 Se 0.76447370016765 0.75148543737856 0.38168595368650 78.960 14 Se 0.43535771067667 0.38622881715610 0.04340833048703 78.960 15 Se 0.23552629983236 0.24851456262144 0.61831404631350 78.960 16 Se 0.56464228932333 0.61377118284390 0.95659166951297 78.960 17 Se 0.10567468174113 0.05633651520412 0.19242589514065 78.960 18 Se 0.75148543737856 0.76447370016765 0.88168595368650 78.960 19 Se 0.38622881715610 0.43535771067667 0.54340833048703 78.960 20 Se 0.61377118284390 0.56464228932333 0.45659166951297 78.960 21 Se 0.05633651520412 0.10567468174113 0.69242589514065 78.960 22 Se 0.24851456262144 0.23552629983235 0.11831404631350 78.960 23 Se 0.89432531825887 0.94366348479588 0.80757410485935 78.960 24 Se 0.94366348479588 0.89432531825887 0.30757410485935 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.355132279112521 0.000000000000000 0.000000000000000 b 0.000000000000000 17.391177300000003 0.000000000000000 c -6.131077114766373 0.000000000000000 10.229688104386863 Atomic positions (fractional): 1 Na 0.75318132719176 0.33092617212987 0.12593572808433 22.990 > 1 2 Na 0.75318132719176 0.66425950546320 0.12593572808433 22.990 > 1 3 Na 0.75318132719176 0.99759283879654 0.12593572808433 22.990 > 1 4 Na 0.92730551301540 0.17502899942094 0.80766232409687 22.990 > 4 5 Na 0.92730551301540 0.50836233275427 0.80766232409687 22.990 > 4 6 Na 0.92730551301540 0.84169566608760 0.80766232409687 22.990 > 4 7 Na 0.25318132719176 0.16907382787013 0.62593572808433 22.990 > 7 8 Na 0.25318132719176 0.50240716120346 0.62593572808433 22.990 > 7 9 Na 0.25318132719176 0.83574049453680 0.62593572808433 22.990 > 7 10 Na 0.74681867280824 0.16425950546320 0.37406427191567 22.990 > 10 11 Na 0.74681867280824 0.49759283879654 0.37406427191567 22.990 > 10 12 Na 0.74681867280824 0.83092617212987 0.37406427191567 22.990 > 10 13 Na 0.07269448698460 0.17502899942094 0.69233767590313 22.990 > 13 14 Na 0.07269448698460 0.50836233275427 0.69233767590313 22.990 > 13 15 Na 0.07269448698460 0.84169566608760 0.69233767590313 22.990 > 13 16 Na 0.24681867280824 0.00240716120346 0.87406427191567 22.990 > 16 17 Na 0.24681867280824 0.33574049453680 0.87406427191567 22.990 > 16 18 Na 0.24681867280824 0.66907382787013 0.87406427191567 22.990 > 16 19 Na 0.92730551301540 0.15830433391240 0.30766232409687 22.990 > 19 20 Na 0.92730551301540 0.49163766724573 0.30766232409687 22.990 > 19 21 Na 0.92730551301540 0.82497100057906 0.30766232409687 22.990 > 19 22 Na 0.07269448698460 0.15830433391240 0.19233767590313 22.990 > 22 23 Na 0.07269448698460 0.49163766724573 0.19233767590313 22.990 > 22 24 Na 0.07269448698460 0.82497100057906 0.19233767590313 22.990 > 22 25 Na 0.25318132719176 0.16425950546320 0.12593572808433 22.990 > 1 26 Na 0.25318132719176 0.49759283879654 0.12593572808433 22.990 > 1 27 Na 0.25318132719176 0.83092617212987 0.12593572808433 22.990 > 1 28 Na 0.42730551301540 0.00836233275427 0.80766232409687 22.990 > 4 29 Na 0.42730551301540 0.34169566608760 0.80766232409687 22.990 > 4 30 Na 0.42730551301540 0.67502899942094 0.80766232409687 22.990 > 4 31 Na 0.75318132719176 0.00240716120346 0.62593572808433 22.990 > 7 32 Na 0.75318132719176 0.33574049453680 0.62593572808433 22.990 > 7 33 Na 0.75318132719176 0.66907382787013 0.62593572808433 22.990 > 7 34 Na 0.24681867280824 0.33092617212987 0.37406427191567 22.990 > 10 35 Na 0.24681867280824 0.66425950546320 0.37406427191567 22.990 > 10 36 Na 0.24681867280824 0.99759283879654 0.37406427191567 22.990 > 10 37 Na 0.57269448698460 0.00836233275427 0.69233767590313 22.990 > 13 38 Na 0.57269448698460 0.34169566608760 0.69233767590313 22.990 > 13 39 Na 0.57269448698460 0.67502899942094 0.69233767590313 22.990 > 13 40 Na 0.74681867280824 0.16907382787013 0.87406427191567 22.990 > 16 41 Na 0.74681867280824 0.50240716120346 0.87406427191567 22.990 > 16 42 Na 0.74681867280824 0.83574049453680 0.87406427191567 22.990 > 16 43 Na 0.42730551301540 0.32497100057906 0.30766232409687 22.990 > 19 44 Na 0.42730551301540 0.65830433391240 0.30766232409687 22.990 > 19 45 Na 0.42730551301540 0.99163766724573 0.30766232409687 22.990 > 19 46 Na 0.57269448698460 0.32497100057906 0.19233767590313 22.990 > 22 47 Na 0.57269448698460 0.65830433391240 0.19233767590313 22.990 > 22 48 Na 0.57269448698460 0.99163766724573 0.19233767590313 22.990 > 22 49 Te 0.39490937617513 0.17942174244356 0.99510859595383 127.600 > 49 50 Te 0.39490937617513 0.51275507577689 0.99510859595383 127.600 > 49 51 Te 0.39490937617513 0.84608840911023 0.99510859595383 127.600 > 49 52 Te 0.60509062382487 0.15391159088977 0.00489140404617 127.600 > 52 53 Te 0.60509062382487 0.48724492422311 0.00489140404617 127.600 > 52 54 Te 0.60509062382487 0.82057825755644 0.00489140404617 127.600 > 52 55 Te 0.10509062382487 0.01275507577689 0.50489140404617 127.600 > 55 56 Te 0.10509062382487 0.34608840911023 0.50489140404617 127.600 > 55 57 Te 0.10509062382487 0.67942174244356 0.50489140404617 127.600 > 55 58 Te 0.89490937617513 0.32057825755644 0.49510859595383 127.600 > 58 59 Te 0.89490937617513 0.65391159088977 0.49510859595383 127.600 > 58 60 Te 0.89490937617513 0.98724492422311 0.49510859595383 127.600 > 58 61 Te 0.89490937617513 0.01275507577689 0.99510859595383 127.600 > 49 62 Te 0.89490937617513 0.34608840911023 0.99510859595383 127.600 > 49 63 Te 0.89490937617513 0.67942174244356 0.99510859595383 127.600 > 49 64 Te 0.10509062382487 0.32057825755644 0.00489140404617 127.600 > 52 65 Te 0.10509062382487 0.65391159088977 0.00489140404617 127.600 > 52 66 Te 0.10509062382487 0.98724492422311 0.00489140404617 127.600 > 52 67 Te 0.60509062382487 0.17942174244356 0.50489140404617 127.600 > 55 68 Te 0.60509062382487 0.51275507577689 0.50489140404617 127.600 > 55 69 Te 0.60509062382487 0.84608840911023 0.50489140404617 127.600 > 55 70 Te 0.39490937617513 0.15391159088977 0.49510859595383 127.600 > 58 71 Te 0.39490937617513 0.48724492422311 0.49510859595383 127.600 > 58 72 Te 0.39490937617513 0.82057825755644 0.49510859595383 127.600 > 58 73 Se 0.75797956877310 0.33116862286849 0.38168595368650 78.960 > 73 74 Se 0.75797956877310 0.66450195620182 0.38168595368650 78.960 > 73 75 Se 0.75797956877310 0.99783528953515 0.38168595368650 78.960 > 73 76 Se 0.91079326391639 0.15847851774657 0.04340833048703 78.960 > 76 77 Se 0.91079326391639 0.49181185107990 0.04340833048703 78.960 > 76 78 Se 0.91079326391639 0.82514518441324 0.04340833048703 78.960 > 76 79 Se 0.24202043122690 0.00216471046485 0.61831404631350 78.960 > 79 80 Se 0.24202043122690 0.33549804379818 0.61831404631350 78.960 > 79 81 Se 0.24202043122690 0.66883137713151 0.61831404631350 78.960 > 79 82 Se 0.08920673608361 0.17485481558676 0.95659166951297 78.960 > 82 83 Se 0.08920673608361 0.50818814892010 0.95659166951297 78.960 > 82 84 Se 0.08920673608361 0.84152148225343 0.95659166951297 78.960 > 82 85 Se 0.08100559847263 0.32511030557717 0.19242589514065 78.960 > 85 86 Se 0.08100559847263 0.65844363891050 0.19242589514065 78.960 > 85 87 Se 0.08100559847263 0.99177697224383 0.19242589514065 78.960 > 85 88 Se 0.25797956877310 0.16883137713151 0.88168595368650 78.960 > 88 89 Se 0.25797956877310 0.50216471046485 0.88168595368650 78.960 > 88 90 Se 0.25797956877310 0.83549804379818 0.88168595368650 78.960 > 88 91 Se 0.91079326391639 0.17485481558676 0.54340833048703 78.960 > 91 92 Se 0.91079326391639 0.50818814892010 0.54340833048703 78.960 > 91 93 Se 0.91079326391639 0.84152148225343 0.54340833048703 78.960 > 91 94 Se 0.08920673608361 0.15847851774657 0.45659166951297 78.960 > 94 95 Se 0.08920673608361 0.49181185107990 0.45659166951297 78.960 > 94 96 Se 0.08920673608361 0.82514518441324 0.45659166951297 78.960 > 94 97 Se 0.08100559847263 0.00822302775617 0.69242589514065 78.960 > 97 98 Se 0.08100559847263 0.34155636108950 0.69242589514065 78.960 > 97 99 Se 0.08100559847263 0.67488969442283 0.69242589514065 78.960 > 97 100 Se 0.74202043122690 0.16450195620182 0.11831404631350 78.960 > 100 101 Se 0.74202043122690 0.49783528953515 0.11831404631350 78.960 > 100 102 Se 0.74202043122690 0.83116862286849 0.11831404631350 78.960 > 100 103 Se 0.91899440152737 0.00822302775617 0.80757410485935 78.960 > 103 104 Se 0.91899440152737 0.34155636108950 0.80757410485935 78.960 > 103 105 Se 0.91899440152737 0.67488969442283 0.80757410485935 78.960 > 103 106 Se 0.91899440152737 0.32511030557717 0.30757410485935 78.960 > 106 107 Se 0.91899440152737 0.65844363891050 0.30757410485935 78.960 > 106 108 Se 0.91899440152737 0.99177697224383 0.30757410485935 78.960 > 106 109 Se 0.25797956877310 0.16450195620182 0.38168595368650 78.960 > 73 110 Se 0.25797956877310 0.49783528953515 0.38168595368650 78.960 > 73 111 Se 0.25797956877310 0.83116862286849 0.38168595368650 78.960 > 73 112 Se 0.41079326391639 0.32514518441324 0.04340833048703 78.960 > 76 113 Se 0.41079326391639 0.65847851774657 0.04340833048703 78.960 > 76 114 Se 0.41079326391639 0.99181185107990 0.04340833048703 78.960 > 76 115 Se 0.74202043122690 0.16883137713151 0.61831404631350 78.960 > 79 116 Se 0.74202043122690 0.50216471046485 0.61831404631350 78.960 > 79 117 Se 0.74202043122690 0.83549804379818 0.61831404631350 78.960 > 79 118 Se 0.58920673608361 0.00818814892010 0.95659166951297 78.960 > 82 119 Se 0.58920673608361 0.34152148225343 0.95659166951297 78.960 > 82 120 Se 0.58920673608361 0.67485481558676 0.95659166951297 78.960 > 82 121 Se 0.58100559847263 0.15844363891050 0.19242589514065 78.960 > 85 122 Se 0.58100559847263 0.49177697224383 0.19242589514065 78.960 > 85 123 Se 0.58100559847263 0.82511030557717 0.19242589514065 78.960 > 85 124 Se 0.75797956877310 0.00216471046485 0.88168595368650 78.960 > 88 125 Se 0.75797956877310 0.33549804379818 0.88168595368650 78.960 > 88 126 Se 0.75797956877310 0.66883137713151 0.88168595368650 78.960 > 88 127 Se 0.41079326391639 0.00818814892010 0.54340833048703 78.960 > 91 128 Se 0.41079326391639 0.34152148225343 0.54340833048703 78.960 > 91 129 Se 0.41079326391639 0.67485481558676 0.54340833048703 78.960 > 91 130 Se 0.58920673608361 0.32514518441324 0.45659166951297 78.960 > 94 131 Se 0.58920673608361 0.65847851774657 0.45659166951297 78.960 > 94 132 Se 0.58920673608361 0.99181185107990 0.45659166951297 78.960 > 94 133 Se 0.58100559847263 0.17488969442283 0.69242589514065 78.960 > 97 134 Se 0.58100559847263 0.50822302775617 0.69242589514065 78.960 > 97 135 Se 0.58100559847263 0.84155636108950 0.69242589514065 78.960 > 97 136 Se 0.24202043122690 0.33116862286849 0.11831404631350 78.960 > 100 137 Se 0.24202043122690 0.66450195620182 0.11831404631350 78.960 > 100 138 Se 0.24202043122690 0.99783528953515 0.11831404631350 78.960 > 100 139 Se 0.41899440152737 0.17488969442283 0.80757410485935 78.960 > 103 140 Se 0.41899440152737 0.50822302775617 0.80757410485935 78.960 > 103 141 Se 0.41899440152737 0.84155636108950 0.80757410485935 78.960 > 103 142 Se 0.41899440152737 0.15844363891050 0.30757410485935 78.960 > 106 143 Se 0.41899440152737 0.49177697224383 0.30757410485935 78.960 > 106 144 Se 0.41899440152737 0.82511030557717 0.30757410485935 78.960 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.2818315 0.0000000 -1.3534040 0.0000000 14.5723180 0.0000000 -1.3534361 0.0000000 8.3821105 -------------------------- Born effective charges -------------------------- 1 Na 0.9756937 -0.0177705 -0.0507820 -0.2167196 1.2064892 -0.2335985 0.0547730 -0.0197133 1.1878623 2 Na 1.2833128 0.0131827 0.1101252 0.5188099 1.2706992 -0.3295084 0.0977490 -0.0090093 1.2232237 3 Na 0.9756937 0.0177705 -0.0507820 0.2167196 1.2064892 0.2335985 0.0547730 0.0197133 1.1878623 4 Na 0.9756937 0.0177705 -0.0507820 0.2167196 1.2064892 0.2335985 0.0547730 0.0197133 1.1878623 5 Na 1.2833128 -0.0131827 0.1101252 -0.5188099 1.2706992 0.3295084 0.0977490 0.0090093 1.2232237 6 Na 0.9756937 -0.0177705 -0.0507820 -0.2167196 1.2064892 -0.2335985 0.0547730 -0.0197133 1.1878623 7 Na 1.2833128 -0.0131827 0.1101252 -0.5188099 1.2706992 0.3295084 0.0977490 0.0090093 1.2232237 8 Na 1.2833128 0.0131827 0.1101252 0.5188099 1.2706992 -0.3295084 0.0977490 -0.0090093 1.2232237 9 Te 4.1644718 -0.0488775 0.2944553 0.0016078 2.5532759 0.6772180 0.0506064 0.7186232 1.4763884 10 Te 4.1644718 -0.0488775 0.2944553 0.0016078 2.5532759 0.6772180 0.0506064 0.7186232 1.4763884 11 Te 4.1644718 0.0488775 0.2944553 -0.0016078 2.5532759 -0.6772180 0.0506064 -0.7186232 1.4763884 12 Te 4.1644718 0.0488775 0.2944553 -0.0016078 2.5532759 -0.6772180 0.0506064 -0.7186232 1.4763884 13 Se -2.4985875 0.0086631 -1.1348163 0.1907070 -0.5329011 -0.0871407 -0.7317866 -0.0101178 -1.0381318 14 Se -1.1849976 -0.0053327 -0.0825258 -0.1154251 -4.0224848 -0.4942727 -0.1215056 -0.7200389 -0.8492819 15 Se -2.4985875 0.0086631 -1.1348163 0.1907070 -0.5329011 -0.0871407 -0.7317866 -0.0101178 -1.0381318 16 Se -1.1849976 -0.0053327 -0.0825258 -0.1154251 -4.0224848 -0.4942727 -0.1215056 -0.7200389 -0.8492819 17 Se -2.7398933 0.1120963 0.8635436 0.2530022 -0.4750784 0.0627234 0.6501639 0.0049817 -2.0000608 18 Se -2.4985875 -0.0086631 -1.1348163 -0.1907070 -0.5329011 0.0871407 -0.7317866 0.0101178 -1.0381318 19 Se -1.1849976 0.0053327 -0.0825258 0.1154251 -4.0224848 0.4942727 -0.1215056 0.7200389 -0.8492819 20 Se -1.1849976 0.0053327 -0.0825258 0.1154251 -4.0224848 0.4942727 -0.1215056 0.7200389 -0.8492819 21 Se -2.7398933 -0.1120963 0.8635436 -0.2530022 -0.4750784 -0.0627234 0.6501639 -0.0049817 -2.0000608 22 Se -2.4985875 -0.0086631 -1.1348163 -0.1907070 -0.5329011 0.0871407 -0.7317866 0.0101178 -1.0381318 23 Se -2.7398933 0.1120963 0.8635436 0.2530022 -0.4750784 0.0627234 0.6501639 0.0049817 -2.0000608 24 Se -2.7398933 -0.1120963 0.8635436 -0.2530022 -0.4750784 -0.0627234 0.6501639 -0.0049817 -2.0000608 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 4, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 76, 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:41:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:41:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.677566139556260 -2.898529550000000 0.000000000000000 b 10.677566139556260 2.898529550000000 0.000000000000000 c -6.131077114766373 0.000000000000000 10.229688104386863 Atomic positions (fractional): 1 Na 0.76040281080215 0.74595984358137 0.12593572808433 22.990 2 Na 0.40221851475259 0.45239251127821 0.80766232409687 22.990 3 Na 0.74595984358137 0.76040281080215 0.62593572808433 22.990 4 Na 0.25404015641863 0.23959718919785 0.37406427191567 22.990 5 Na 0.54760748872179 0.59778148524741 0.69233767590313 22.990 6 Na 0.23959718919785 0.25404015641863 0.87406427191567 22.990 7 Na 0.45239251127821 0.40221851475259 0.30766232409687 22.990 8 Na 0.59778148524741 0.54760748872179 0.19233767590313 22.990 9 Te 0.85664414884445 0.93317460350582 0.99510859595383 127.600 10 Te 0.14335585115555 0.06682539649418 0.00489140404617 127.600 11 Te 0.06682539649419 0.14335585115555 0.50489140404617 127.600 12 Te 0.93317460350582 0.85664414884445 0.49510859595383 127.600 13 Se 0.76447370016765 0.75148543737856 0.38168595368650 78.960 14 Se 0.43535771067667 0.38622881715610 0.04340833048703 78.960 15 Se 0.23552629983236 0.24851456262144 0.61831404631350 78.960 16 Se 0.56464228932333 0.61377118284390 0.95659166951297 78.960 17 Se 0.10567468174113 0.05633651520412 0.19242589514065 78.960 18 Se 0.75148543737856 0.76447370016765 0.88168595368650 78.960 19 Se 0.38622881715610 0.43535771067667 0.54340833048703 78.960 20 Se 0.61377118284390 0.56464228932333 0.45659166951297 78.960 21 Se 0.05633651520412 0.10567468174113 0.69242589514065 78.960 22 Se 0.24851456262144 0.23552629983235 0.11831404631350 78.960 23 Se 0.89432531825887 0.94366348479588 0.80757410485935 78.960 24 Se 0.94366348479588 0.89432531825887 0.30757410485935 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.355132279112521 0.000000000000000 0.000000000000000 b 0.000000000000000 17.391177300000003 0.000000000000000 c -6.131077114766373 0.000000000000000 10.229688104386863 Atomic positions (fractional): 1 Na 0.75318132719176 0.33092617212987 0.12593572808433 22.990 > 1 2 Na 0.75318132719176 0.66425950546320 0.12593572808433 22.990 > 1 3 Na 0.75318132719176 0.99759283879654 0.12593572808433 22.990 > 1 4 Na 0.92730551301540 0.17502899942094 0.80766232409687 22.990 > 4 5 Na 0.92730551301540 0.50836233275427 0.80766232409687 22.990 > 4 6 Na 0.92730551301540 0.84169566608760 0.80766232409687 22.990 > 4 7 Na 0.25318132719176 0.16907382787013 0.62593572808433 22.990 > 7 8 Na 0.25318132719176 0.50240716120346 0.62593572808433 22.990 > 7 9 Na 0.25318132719176 0.83574049453680 0.62593572808433 22.990 > 7 10 Na 0.74681867280824 0.16425950546320 0.37406427191567 22.990 > 10 11 Na 0.74681867280824 0.49759283879654 0.37406427191567 22.990 > 10 12 Na 0.74681867280824 0.83092617212987 0.37406427191567 22.990 > 10 13 Na 0.07269448698460 0.17502899942094 0.69233767590313 22.990 > 13 14 Na 0.07269448698460 0.50836233275427 0.69233767590313 22.990 > 13 15 Na 0.07269448698460 0.84169566608760 0.69233767590313 22.990 > 13 16 Na 0.24681867280824 0.00240716120346 0.87406427191567 22.990 > 16 17 Na 0.24681867280824 0.33574049453680 0.87406427191567 22.990 > 16 18 Na 0.24681867280824 0.66907382787013 0.87406427191567 22.990 > 16 19 Na 0.92730551301540 0.15830433391240 0.30766232409687 22.990 > 19 20 Na 0.92730551301540 0.49163766724573 0.30766232409687 22.990 > 19 21 Na 0.92730551301540 0.82497100057906 0.30766232409687 22.990 > 19 22 Na 0.07269448698460 0.15830433391240 0.19233767590313 22.990 > 22 23 Na 0.07269448698460 0.49163766724573 0.19233767590313 22.990 > 22 24 Na 0.07269448698460 0.82497100057906 0.19233767590313 22.990 > 22 25 Na 0.25318132719176 0.16425950546320 0.12593572808433 22.990 > 1 26 Na 0.25318132719176 0.49759283879654 0.12593572808433 22.990 > 1 27 Na 0.25318132719176 0.83092617212987 0.12593572808433 22.990 > 1 28 Na 0.42730551301540 0.00836233275427 0.80766232409687 22.990 > 4 29 Na 0.42730551301540 0.34169566608760 0.80766232409687 22.990 > 4 30 Na 0.42730551301540 0.67502899942094 0.80766232409687 22.990 > 4 31 Na 0.75318132719176 0.00240716120346 0.62593572808433 22.990 > 7 32 Na 0.75318132719176 0.33574049453680 0.62593572808433 22.990 > 7 33 Na 0.75318132719176 0.66907382787013 0.62593572808433 22.990 > 7 34 Na 0.24681867280824 0.33092617212987 0.37406427191567 22.990 > 10 35 Na 0.24681867280824 0.66425950546320 0.37406427191567 22.990 > 10 36 Na 0.24681867280824 0.99759283879654 0.37406427191567 22.990 > 10 37 Na 0.57269448698460 0.00836233275427 0.69233767590313 22.990 > 13 38 Na 0.57269448698460 0.34169566608760 0.69233767590313 22.990 > 13 39 Na 0.57269448698460 0.67502899942094 0.69233767590313 22.990 > 13 40 Na 0.74681867280824 0.16907382787013 0.87406427191567 22.990 > 16 41 Na 0.74681867280824 0.50240716120346 0.87406427191567 22.990 > 16 42 Na 0.74681867280824 0.83574049453680 0.87406427191567 22.990 > 16 43 Na 0.42730551301540 0.32497100057906 0.30766232409687 22.990 > 19 44 Na 0.42730551301540 0.65830433391240 0.30766232409687 22.990 > 19 45 Na 0.42730551301540 0.99163766724573 0.30766232409687 22.990 > 19 46 Na 0.57269448698460 0.32497100057906 0.19233767590313 22.990 > 22 47 Na 0.57269448698460 0.65830433391240 0.19233767590313 22.990 > 22 48 Na 0.57269448698460 0.99163766724573 0.19233767590313 22.990 > 22 49 Te 0.39490937617513 0.17942174244356 0.99510859595383 127.600 > 49 50 Te 0.39490937617513 0.51275507577689 0.99510859595383 127.600 > 49 51 Te 0.39490937617513 0.84608840911023 0.99510859595383 127.600 > 49 52 Te 0.60509062382487 0.15391159088977 0.00489140404617 127.600 > 52 53 Te 0.60509062382487 0.48724492422311 0.00489140404617 127.600 > 52 54 Te 0.60509062382487 0.82057825755644 0.00489140404617 127.600 > 52 55 Te 0.10509062382487 0.01275507577689 0.50489140404617 127.600 > 55 56 Te 0.10509062382487 0.34608840911023 0.50489140404617 127.600 > 55 57 Te 0.10509062382487 0.67942174244356 0.50489140404617 127.600 > 55 58 Te 0.89490937617513 0.32057825755644 0.49510859595383 127.600 > 58 59 Te 0.89490937617513 0.65391159088977 0.49510859595383 127.600 > 58 60 Te 0.89490937617513 0.98724492422311 0.49510859595383 127.600 > 58 61 Te 0.89490937617513 0.01275507577689 0.99510859595383 127.600 > 49 62 Te 0.89490937617513 0.34608840911023 0.99510859595383 127.600 > 49 63 Te 0.89490937617513 0.67942174244356 0.99510859595383 127.600 > 49 64 Te 0.10509062382487 0.32057825755644 0.00489140404617 127.600 > 52 65 Te 0.10509062382487 0.65391159088977 0.00489140404617 127.600 > 52 66 Te 0.10509062382487 0.98724492422311 0.00489140404617 127.600 > 52 67 Te 0.60509062382487 0.17942174244356 0.50489140404617 127.600 > 55 68 Te 0.60509062382487 0.51275507577689 0.50489140404617 127.600 > 55 69 Te 0.60509062382487 0.84608840911023 0.50489140404617 127.600 > 55 70 Te 0.39490937617513 0.15391159088977 0.49510859595383 127.600 > 58 71 Te 0.39490937617513 0.48724492422311 0.49510859595383 127.600 > 58 72 Te 0.39490937617513 0.82057825755644 0.49510859595383 127.600 > 58 73 Se 0.75797956877310 0.33116862286849 0.38168595368650 78.960 > 73 74 Se 0.75797956877310 0.66450195620182 0.38168595368650 78.960 > 73 75 Se 0.75797956877310 0.99783528953515 0.38168595368650 78.960 > 73 76 Se 0.91079326391639 0.15847851774657 0.04340833048703 78.960 > 76 77 Se 0.91079326391639 0.49181185107990 0.04340833048703 78.960 > 76 78 Se 0.91079326391639 0.82514518441324 0.04340833048703 78.960 > 76 79 Se 0.24202043122690 0.00216471046485 0.61831404631350 78.960 > 79 80 Se 0.24202043122690 0.33549804379818 0.61831404631350 78.960 > 79 81 Se 0.24202043122690 0.66883137713151 0.61831404631350 78.960 > 79 82 Se 0.08920673608361 0.17485481558676 0.95659166951297 78.960 > 82 83 Se 0.08920673608361 0.50818814892010 0.95659166951297 78.960 > 82 84 Se 0.08920673608361 0.84152148225343 0.95659166951297 78.960 > 82 85 Se 0.08100559847263 0.32511030557717 0.19242589514065 78.960 > 85 86 Se 0.08100559847263 0.65844363891050 0.19242589514065 78.960 > 85 87 Se 0.08100559847263 0.99177697224383 0.19242589514065 78.960 > 85 88 Se 0.25797956877310 0.16883137713151 0.88168595368650 78.960 > 88 89 Se 0.25797956877310 0.50216471046485 0.88168595368650 78.960 > 88 90 Se 0.25797956877310 0.83549804379818 0.88168595368650 78.960 > 88 91 Se 0.91079326391639 0.17485481558676 0.54340833048703 78.960 > 91 92 Se 0.91079326391639 0.50818814892010 0.54340833048703 78.960 > 91 93 Se 0.91079326391639 0.84152148225343 0.54340833048703 78.960 > 91 94 Se 0.08920673608361 0.15847851774657 0.45659166951297 78.960 > 94 95 Se 0.08920673608361 0.49181185107990 0.45659166951297 78.960 > 94 96 Se 0.08920673608361 0.82514518441324 0.45659166951297 78.960 > 94 97 Se 0.08100559847263 0.00822302775617 0.69242589514065 78.960 > 97 98 Se 0.08100559847263 0.34155636108950 0.69242589514065 78.960 > 97 99 Se 0.08100559847263 0.67488969442283 0.69242589514065 78.960 > 97 100 Se 0.74202043122690 0.16450195620182 0.11831404631350 78.960 > 100 101 Se 0.74202043122690 0.49783528953515 0.11831404631350 78.960 > 100 102 Se 0.74202043122690 0.83116862286849 0.11831404631350 78.960 > 100 103 Se 0.91899440152737 0.00822302775617 0.80757410485935 78.960 > 103 104 Se 0.91899440152737 0.34155636108950 0.80757410485935 78.960 > 103 105 Se 0.91899440152737 0.67488969442283 0.80757410485935 78.960 > 103 106 Se 0.91899440152737 0.32511030557717 0.30757410485935 78.960 > 106 107 Se 0.91899440152737 0.65844363891050 0.30757410485935 78.960 > 106 108 Se 0.91899440152737 0.99177697224383 0.30757410485935 78.960 > 106 109 Se 0.25797956877310 0.16450195620182 0.38168595368650 78.960 > 73 110 Se 0.25797956877310 0.49783528953515 0.38168595368650 78.960 > 73 111 Se 0.25797956877310 0.83116862286849 0.38168595368650 78.960 > 73 112 Se 0.41079326391639 0.32514518441324 0.04340833048703 78.960 > 76 113 Se 0.41079326391639 0.65847851774657 0.04340833048703 78.960 > 76 114 Se 0.41079326391639 0.99181185107990 0.04340833048703 78.960 > 76 115 Se 0.74202043122690 0.16883137713151 0.61831404631350 78.960 > 79 116 Se 0.74202043122690 0.50216471046485 0.61831404631350 78.960 > 79 117 Se 0.74202043122690 0.83549804379818 0.61831404631350 78.960 > 79 118 Se 0.58920673608361 0.00818814892010 0.95659166951297 78.960 > 82 119 Se 0.58920673608361 0.34152148225343 0.95659166951297 78.960 > 82 120 Se 0.58920673608361 0.67485481558676 0.95659166951297 78.960 > 82 121 Se 0.58100559847263 0.15844363891050 0.19242589514065 78.960 > 85 122 Se 0.58100559847263 0.49177697224383 0.19242589514065 78.960 > 85 123 Se 0.58100559847263 0.82511030557717 0.19242589514065 78.960 > 85 124 Se 0.75797956877310 0.00216471046485 0.88168595368650 78.960 > 88 125 Se 0.75797956877310 0.33549804379818 0.88168595368650 78.960 > 88 126 Se 0.75797956877310 0.66883137713151 0.88168595368650 78.960 > 88 127 Se 0.41079326391639 0.00818814892010 0.54340833048703 78.960 > 91 128 Se 0.41079326391639 0.34152148225343 0.54340833048703 78.960 > 91 129 Se 0.41079326391639 0.67485481558676 0.54340833048703 78.960 > 91 130 Se 0.58920673608361 0.32514518441324 0.45659166951297 78.960 > 94 131 Se 0.58920673608361 0.65847851774657 0.45659166951297 78.960 > 94 132 Se 0.58920673608361 0.99181185107990 0.45659166951297 78.960 > 94 133 Se 0.58100559847263 0.17488969442283 0.69242589514065 78.960 > 97 134 Se 0.58100559847263 0.50822302775617 0.69242589514065 78.960 > 97 135 Se 0.58100559847263 0.84155636108950 0.69242589514065 78.960 > 97 136 Se 0.24202043122690 0.33116862286849 0.11831404631350 78.960 > 100 137 Se 0.24202043122690 0.66450195620182 0.11831404631350 78.960 > 100 138 Se 0.24202043122690 0.99783528953515 0.11831404631350 78.960 > 100 139 Se 0.41899440152737 0.17488969442283 0.80757410485935 78.960 > 103 140 Se 0.41899440152737 0.50822302775617 0.80757410485935 78.960 > 103 141 Se 0.41899440152737 0.84155636108950 0.80757410485935 78.960 > 103 142 Se 0.41899440152737 0.15844363891050 0.30757410485935 78.960 > 106 143 Se 0.41899440152737 0.49177697224383 0.30757410485935 78.960 > 106 144 Se 0.41899440152737 0.82511030557717 0.30757410485935 78.960 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.2818315 0.0000000 -1.3534040 0.0000000 14.5723180 0.0000000 -1.3534361 0.0000000 8.3821105 -------------------------- Born effective charges -------------------------- 1 Na 0.9756937 -0.0177705 -0.0507820 -0.2167196 1.2064892 -0.2335985 0.0547730 -0.0197133 1.1878623 2 Na 1.2833128 0.0131827 0.1101252 0.5188099 1.2706992 -0.3295084 0.0977490 -0.0090093 1.2232237 3 Na 0.9756937 0.0177705 -0.0507820 0.2167196 1.2064892 0.2335985 0.0547730 0.0197133 1.1878623 4 Na 0.9756937 0.0177705 -0.0507820 0.2167196 1.2064892 0.2335985 0.0547730 0.0197133 1.1878623 5 Na 1.2833128 -0.0131827 0.1101252 -0.5188099 1.2706992 0.3295084 0.0977490 0.0090093 1.2232237 6 Na 0.9756937 -0.0177705 -0.0507820 -0.2167196 1.2064892 -0.2335985 0.0547730 -0.0197133 1.1878623 7 Na 1.2833128 -0.0131827 0.1101252 -0.5188099 1.2706992 0.3295084 0.0977490 0.0090093 1.2232237 8 Na 1.2833128 0.0131827 0.1101252 0.5188099 1.2706992 -0.3295084 0.0977490 -0.0090093 1.2232237 9 Te 4.1644718 -0.0488775 0.2944553 0.0016078 2.5532759 0.6772180 0.0506064 0.7186232 1.4763884 10 Te 4.1644718 -0.0488775 0.2944553 0.0016078 2.5532759 0.6772180 0.0506064 0.7186232 1.4763884 11 Te 4.1644718 0.0488775 0.2944553 -0.0016078 2.5532759 -0.6772180 0.0506064 -0.7186232 1.4763884 12 Te 4.1644718 0.0488775 0.2944553 -0.0016078 2.5532759 -0.6772180 0.0506064 -0.7186232 1.4763884 13 Se -2.4985875 0.0086631 -1.1348163 0.1907070 -0.5329011 -0.0871407 -0.7317866 -0.0101178 -1.0381318 14 Se -1.1849976 -0.0053327 -0.0825258 -0.1154251 -4.0224848 -0.4942727 -0.1215056 -0.7200389 -0.8492819 15 Se -2.4985875 0.0086631 -1.1348163 0.1907070 -0.5329011 -0.0871407 -0.7317866 -0.0101178 -1.0381318 16 Se -1.1849976 -0.0053327 -0.0825258 -0.1154251 -4.0224848 -0.4942727 -0.1215056 -0.7200389 -0.8492819 17 Se -2.7398933 0.1120963 0.8635436 0.2530022 -0.4750784 0.0627234 0.6501639 0.0049817 -2.0000608 18 Se -2.4985875 -0.0086631 -1.1348163 -0.1907070 -0.5329011 0.0871407 -0.7317866 0.0101178 -1.0381318 19 Se -1.1849976 0.0053327 -0.0825258 0.1154251 -4.0224848 0.4942727 -0.1215056 0.7200389 -0.8492819 20 Se -1.1849976 0.0053327 -0.0825258 0.1154251 -4.0224848 0.4942727 -0.1215056 0.7200389 -0.8492819 21 Se -2.7398933 -0.1120963 0.8635436 -0.2530022 -0.4750784 -0.0627234 0.6501639 -0.0049817 -2.0000608 22 Se -2.4985875 -0.0086631 -1.1348163 -0.1907070 -0.5329011 0.0871407 -0.7317866 0.0101178 -1.0381318 23 Se -2.7398933 0.1120963 0.8635436 0.2530022 -0.4750784 0.0627234 0.6501639 0.0049817 -2.0000608 24 Se -2.7398933 -0.1120963 0.8635436 -0.2530022 -0.4750784 -0.0627234 0.6501639 -0.0049817 -2.0000608 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 307, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 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 0.942 ( 0.000 0.000 0.000) 0.000 1.096 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.121 ( 0.000 0.000 0.000) 0.000 1.175 ( 0.000 0.000 0.000) 0.000 1.199 ( 0.000 0.000 0.000) 0.000 1.331 ( 0.000 0.000 0.000) 0.000 1.379 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.888 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.429 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.822 ( 0.000 0.000 0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.617 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( 4.805 -13.514 5.453) 15.345 0.328 ( 9.604 -14.153 3.563) 17.471 0.693 ( 2.897 -32.646 0.933) 32.788 1.095 ( -3.680 -6.970 -2.819) 8.371 1.116 ( -4.139 -5.543 -1.522) 7.083 1.133 ( 0.321 -8.530 -1.182) 8.617 1.193 ( 1.383 -5.121 2.252) 5.763 1.292 ( -0.706 -7.272 -0.254) 7.311 1.327 ( -0.847 -11.359 1.531) 11.492 1.345 ( 0.466 -5.468 -0.118) 5.489 1.406 ( -1.055 -5.861 -0.012) 5.955 1.476 ( 0.809 0.370 -0.596) 1.071 1.636 ( 0.593 -16.185 0.319) 16.199 1.658 ( -0.434 -0.958 0.171) 1.065 1.812 ( -1.691 -5.229 -0.688) 5.538 1.851 ( -0.406 -8.478 0.549) 8.505 1.891 ( 1.272 -12.487 -1.505) 12.642 1.952 ( 0.670 -3.488 0.367) 3.570 2.056 ( -2.693 -1.291 -3.815) 4.844 2.112 ( 2.381 -3.273 3.321) 5.235 2.156 ( -1.638 -2.912 -1.397) 3.622 2.191 ( 0.948 -1.931 3.101) 3.774 2.268 ( 0.947 -3.086 -0.011) 3.228 2.507 ( -2.084 -6.235 -1.482) 6.739 2.534 ( -0.571 -3.308 -0.071) 3.358 2.558 ( 2.536 -3.132 0.936) 4.137 2.591 ( 2.028 -2.963 0.529) 3.629 2.650 ( -0.054 -2.379 -0.356) 2.406 2.749 ( -0.560 -5.478 -0.348) 5.518 2.784 ( 0.231 -6.360 0.214) 6.368 2.997 ( -0.045 2.215 0.564) 2.286 3.010 ( 0.346 2.213 -0.307) 2.261 3.088 ( 0.057 -2.956 0.801) 3.063 3.129 ( 0.315 -3.262 0.068) 3.278 3.387 ( 0.002 2.942 0.088) 2.943 3.472 ( -0.806 2.537 0.467) 2.703 3.766 ( 0.806 -0.135 0.145) 0.830 3.867 ( 0.262 -0.165 0.246) 0.395 3.982 ( -0.327 -0.513 -1.230) 1.372 4.004 ( 1.229 0.418 1.354) 1.875 4.322 ( -1.104 -0.418 -0.006) 1.180 4.348 ( -2.919 -0.266 -1.587) 3.333 4.364 ( 1.072 0.082 -0.536) 1.201 4.400 ( 3.155 0.423 2.328) 3.944 4.466 ( 2.069 0.811 0.361) 2.251 4.518 ( -0.787 -0.546 -0.164) 0.972 4.690 ( -0.137 0.109 0.062) 0.186 4.741 ( -0.960 2.570 -0.431) 2.777 4.805 ( -0.462 3.050 -0.105) 3.086 4.839 ( -0.052 -0.971 1.027) 1.415 4.865 ( -0.053 -0.344 0.129) 0.371 5.114 ( -0.142 -3.318 0.042) 3.321 5.143 ( 0.487 -16.237 0.278) 16.246 5.242 ( -0.077 -11.723 -0.174) 11.725 5.303 ( -0.275 -13.701 0.124) 13.704 5.504 ( -2.659 -9.658 -0.239) 10.020 5.815 ( -1.419 5.986 0.114) 6.153 5.826 ( 0.735 6.645 -0.128) 6.687 5.863 ( -0.298 7.106 0.084) 7.113 5.878 ( 0.124 5.556 0.211) 5.561 5.902 ( -0.084 4.958 0.049) 4.959 5.960 ( -0.204 1.549 -0.193) 1.575 5.994 ( -3.013 3.670 0.877) 4.829 6.001 ( -0.427 3.897 -0.432) 3.944 6.160 ( -8.453 -4.703 2.367) 9.959 6.271 ( 10.282 -0.548 -9.724) 14.162 6.436 ( 0.541 0.406 0.095) 0.683 6.650 ( 9.000 3.092 6.126) 11.317 6.705 ( 0.841 -2.796 -0.383) 2.945 6.928 ( 0.089 -0.032 0.130) 0.161 6.944 ( -0.084 -0.323 0.128) 0.358 7.003 ( -1.070 -1.833 -0.074) 2.123 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 4.525 -13.760 4.999) 15.323 0.657 ( 8.746 -13.793 3.230) 16.649 1.145 ( -2.017 -8.687 -1.488) 9.041 1.152 ( -2.981 -5.384 -3.231) 6.951 1.251 ( -3.085 -10.504 -0.224) 10.950 1.303 ( 0.147 -7.647 1.983) 7.901 1.336 ( 3.419 -8.679 0.230) 9.331 1.439 ( -0.115 -3.623 -0.047) 3.625 1.508 ( -1.089 -15.832 -0.961) 15.898 1.528 ( 0.380 -8.143 -0.620) 8.176 1.566 ( -0.631 -10.795 0.712) 10.837 1.644 ( -1.102 -13.193 0.902) 13.270 1.713 ( -0.514 -7.540 0.181) 7.559 1.814 ( -1.375 -0.330 -1.042) 1.757 1.907 ( -0.079 -4.327 -0.212) 4.333 1.930 ( -0.464 1.053 -3.855) 4.023 2.046 ( -1.112 -5.424 -0.722) 5.583 2.074 ( 0.007 -8.335 0.272) 8.339 2.120 ( -2.238 -5.294 -0.882) 5.815 2.222 ( 3.345 -3.387 3.290) 5.786 2.262 ( -0.165 -6.492 0.892) 6.555 2.342 ( 2.848 -3.658 0.739) 4.695 2.403 ( -1.972 -19.139 -1.074) 19.271 2.539 ( 1.167 -0.443 -0.958) 1.573 2.681 ( -1.726 -8.886 0.081) 9.053 2.692 ( 0.690 -10.496 -0.378) 10.525 2.716 ( 1.037 -7.237 0.551) 7.332 2.748 ( 1.276 -11.094 0.512) 11.179 2.898 ( -1.630 -7.534 -0.654) 7.736 2.932 ( 0.850 -3.199 0.712) 3.386 3.009 ( 0.129 -8.762 -0.817) 8.801 3.019 ( -0.616 -6.881 0.459) 6.924 3.173 ( -0.243 -5.853 1.183) 5.976 3.217 ( 1.038 -6.043 -0.162) 6.134 3.332 ( -0.132 1.532 0.203) 1.551 3.414 ( -1.174 2.126 0.526) 2.485 3.779 ( 1.483 -0.648 0.460) 1.683 3.876 ( 0.651 -0.419 0.471) 0.907 3.990 ( -0.932 -1.483 -1.757) 2.481 4.016 ( -0.467 -1.072 0.651) 1.338 4.322 ( -1.423 -0.428 -0.165) 1.496 4.340 ( -1.161 -0.018 -0.444) 1.243 4.364 ( 1.209 0.367 -0.695) 1.442 4.407 ( 2.899 0.977 1.928) 3.616 4.474 ( 1.080 -0.761 0.385) 1.376 4.536 ( -0.790 -1.946 -0.312) 2.124 4.675 ( -0.887 1.625 0.156) 1.858 4.685 ( -0.423 2.268 -0.142) 2.312 4.734 ( -1.018 3.410 -0.688) 3.624 4.863 ( 0.108 0.314 -0.083) 0.342 4.870 ( -0.048 -1.889 0.621) 1.989 5.112 ( -0.008 1.495 0.050) 1.496 5.516 ( -0.141 -18.677 0.118) 18.678 5.574 ( -0.036 -15.218 -0.348) 15.222 5.604 ( 0.764 -12.752 0.474) 12.784 5.634 ( -0.224 3.658 -0.270) 3.675 5.661 ( -0.431 9.884 0.187) 9.895 5.689 ( -0.012 8.039 -0.296) 8.044 5.707 ( 0.541 4.501 0.348) 4.547 5.728 ( 0.057 4.270 -0.019) 4.271 5.805 ( 0.225 3.009 0.444) 3.050 5.850 ( 0.003 8.581 -0.148) 8.582 5.948 ( -2.740 -1.645 0.689) 3.269 5.956 ( -1.297 -2.464 -0.638) 2.857 6.200 ( -4.900 -2.696 1.110) 5.702 6.299 ( 2.778 -1.266 -5.380) 6.186 6.436 ( 1.125 0.088 0.413) 1.202 6.670 ( 6.101 0.310 3.719) 7.152 6.767 ( 1.283 -2.760 -0.587) 3.100 6.925 ( -0.865 -0.286 -1.341) 1.621 6.952 ( 1.258 0.292 1.335) 1.857 7.035 ( -2.103 -2.213 -0.176) 3.058 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 3.850 -11.507 4.321) 12.880 0.952 ( 7.776 -10.913 2.823) 13.694 1.225 ( -3.233 -4.126 -2.328) 5.735 1.259 ( -1.138 -6.312 -2.185) 6.776 1.325 ( -3.229 -3.288 0.107) 4.610 1.449 ( 2.434 -2.718 0.554) 3.691 1.463 ( 1.989 -5.231 0.623) 5.631 1.526 ( -1.189 -2.474 -0.584) 2.807 1.665 ( -2.704 -3.559 0.017) 4.470 1.705 ( -1.783 -6.057 -0.130) 6.315 1.773 ( 0.535 -10.196 0.251) 10.213 1.818 ( 0.202 -2.966 -1.625) 3.388 1.854 ( -0.705 -6.271 -1.566) 6.502 1.894 ( -0.161 -2.275 0.302) 2.301 1.935 ( -0.560 -10.517 1.032) 10.582 1.945 ( -1.119 -3.380 -1.208) 3.760 2.056 ( -1.300 -0.111 -1.300) 1.842 2.162 ( -1.333 -0.475 -0.383) 1.467 2.210 ( 1.117 -2.567 1.903) 3.385 2.285 ( 1.636 2.293 0.579) 2.876 2.339 ( 2.118 -5.608 0.860) 6.056 2.385 ( 1.637 1.176 -0.838) 2.183 2.590 ( 1.313 -2.493 -0.591) 2.879 2.663 ( -0.157 -3.795 0.580) 3.842 2.775 ( -1.823 -2.331 0.512) 3.003 2.796 ( 0.059 -1.948 -0.949) 2.168 2.952 ( -1.152 -12.347 -0.224) 12.402 3.004 ( -2.784 -11.482 0.591) 11.830 3.025 ( 2.741 -8.502 -0.360) 8.940 3.111 ( 3.068 -16.514 0.794) 16.816 3.220 ( -0.873 -10.468 0.439) 10.513 3.244 ( -1.149 -12.463 -0.989) 12.555 3.310 ( 0.112 -8.833 0.570) 8.852 3.378 ( 0.003 -10.612 0.028) 10.612 3.411 ( 0.184 -9.771 0.760) 9.802 3.448 ( -0.783 -7.304 -0.195) 7.349 3.811 ( 1.636 -1.585 0.665) 2.373 3.895 ( 1.101 -1.057 0.576) 1.631 4.023 ( -0.947 -2.897 -1.521) 3.407 4.041 ( -1.070 -1.673 -0.219) 1.998 4.312 ( -1.393 0.660 -0.480) 1.614 4.345 ( 0.916 -0.686 0.400) 1.212 4.357 ( 0.112 0.391 -0.414) 0.581 4.413 ( 1.764 0.101 1.095) 2.079 4.502 ( 1.495 -1.057 0.267) 1.850 4.578 ( -0.493 -2.335 -0.221) 2.397 4.623 ( -1.455 2.317 0.457) 2.774 4.646 ( 0.147 2.129 -0.424) 2.176 4.681 ( -0.338 1.190 -0.490) 1.331 4.858 ( -0.034 0.131 0.199) 0.241 4.915 ( 0.180 -2.521 0.116) 2.530 5.074 ( -0.053 2.391 -0.020) 2.392 5.425 ( -0.747 10.668 -0.218) 10.696 5.446 ( -0.086 11.564 -0.011) 11.564 5.456 ( -0.096 11.036 0.235) 11.039 5.497 ( 0.161 11.354 -0.026) 11.355 5.615 ( -0.211 7.786 0.440) 7.801 5.627 ( 0.588 8.409 0.083) 8.430 5.653 ( -0.948 5.051 -0.027) 5.139 5.682 ( 0.240 5.732 -0.317) 5.746 5.947 ( 0.681 -15.278 0.426) 15.299 6.015 ( -0.547 -15.863 -0.425) 15.878 6.054 ( 0.136 -5.819 0.030) 5.821 6.139 ( -1.965 -13.498 0.017) 13.640 6.235 ( -1.783 -2.673 0.719) 3.292 6.337 ( -0.871 -4.741 -2.877) 5.614 6.452 ( 1.330 -1.244 0.624) 1.925 6.727 ( 4.592 -2.135 2.385) 5.598 6.803 ( 0.626 -0.255 -0.561) 0.878 6.930 ( -0.227 -1.228 -2.095) 2.440 6.948 ( 1.348 1.323 1.506) 2.416 7.060 ( -2.328 -1.591 -0.041) 2.820 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 2.660 -6.494 3.274) 7.743 1.148 ( 3.698 -5.054 0.606) 6.292 1.239 ( -1.864 0.965 -1.276) 2.456 1.353 ( -0.030 -3.903 -1.416) 4.152 1.366 ( -0.196 -1.865 1.244) 2.251 1.483 ( -3.850 2.722 -1.855) 5.067 1.486 ( 0.705 -0.462 -0.261) 0.882 1.544 ( 1.294 -1.420 -0.280) 1.941 1.717 ( -1.044 -2.113 0.727) 2.466 1.754 ( -1.857 -2.598 0.906) 3.320 1.828 ( 0.753 2.072 -1.204) 2.512 1.897 ( 2.211 -1.728 -0.742) 2.903 1.907 ( 0.683 -3.532 -0.531) 3.636 1.948 ( -2.269 -0.695 1.693) 2.915 2.031 ( -0.303 -1.346 -0.413) 1.440 2.063 ( -2.433 -6.566 -0.962) 7.068 2.109 ( -0.930 -3.878 0.943) 4.098 2.138 ( 2.044 2.058 -0.319) 2.918 2.228 ( -0.405 2.266 -2.885) 3.691 2.243 ( 1.877 1.185 3.306) 3.982 2.374 ( 0.767 -0.677 -0.825) 1.314 2.438 ( 0.528 -2.915 0.848) 3.081 2.595 ( 0.522 0.712 -0.768) 1.170 2.635 ( -0.268 3.402 0.692) 3.482 2.791 ( -0.473 -0.523 -0.074) 0.709 2.826 ( 0.029 -1.047 -0.225) 1.072 3.029 ( -0.829 -1.122 0.243) 1.416 3.094 ( 0.883 -0.279 -0.134) 0.935 3.282 ( -0.984 -10.377 -0.596) 10.440 3.382 ( 1.663 -6.986 1.125) 7.269 3.403 ( -0.200 -6.603 -0.075) 6.606 3.428 ( -0.519 -6.189 -0.099) 6.211 3.484 ( -0.052 -6.361 -0.043) 6.361 3.559 ( -0.408 -5.827 -0.094) 5.842 3.595 ( -0.796 -6.660 0.300) 6.714 3.600 ( 1.061 -5.396 -0.056) 5.499 3.854 ( 0.650 -1.580 0.425) 1.760 3.929 ( 0.900 -1.199 0.350) 1.540 4.060 ( -0.712 -1.023 -0.745) 1.452 4.065 ( -0.602 -1.490 -0.418) 1.661 4.293 ( -0.483 0.479 -0.217) 0.714 4.346 ( 0.181 0.310 0.039) 0.361 4.373 ( 0.376 -0.968 0.190) 1.056 4.426 ( 0.598 -0.368 0.329) 0.776 4.522 ( 1.138 -0.333 -0.184) 1.200 4.560 ( -1.212 2.008 0.174) 2.352 4.618 ( 0.059 -0.790 0.148) 0.805 4.630 ( 0.141 -0.070 -0.178) 0.237 4.670 ( -0.054 0.062 -0.097) 0.127 4.859 ( -0.007 -0.113 0.083) 0.141 4.967 ( 0.151 -2.736 0.077) 2.741 5.022 ( -0.109 2.786 -0.085) 2.790 5.250 ( -0.460 5.790 0.088) 5.808 5.267 ( 0.409 5.666 -0.169) 5.683 5.286 ( -0.549 5.288 0.070) 5.317 5.320 ( 0.358 5.809 -0.033) 5.820 5.478 ( 0.170 4.680 0.167) 4.686 5.508 ( 0.701 2.839 0.275) 2.937 5.541 ( -1.320 4.699 -0.184) 4.885 5.575 ( -0.210 3.762 -0.185) 3.772 6.097 ( -0.188 -0.621 -0.251) 0.696 6.153 ( 0.176 -5.129 0.218) 5.137 6.197 ( -0.962 -2.669 -0.116) 2.839 6.297 ( 0.667 -3.616 -0.158) 3.680 6.324 ( -0.786 -5.578 -0.226) 5.637 6.430 ( -0.129 -3.090 0.208) 3.100 6.512 ( 0.542 -3.627 0.217) 3.673 6.779 ( -0.370 0.727 -0.011) 0.816 6.804 ( 2.085 -1.767 0.253) 2.744 6.923 ( 0.323 1.633 0.669) 1.794 6.951 ( 0.249 -0.878 -0.947) 1.315 7.072 ( -1.082 -0.582 0.070) 1.230 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.166 ( 12.457 0.000 5.461) 13.601 0.182 ( 13.946 0.000 5.560) 15.014 0.354 ( 24.696 0.000 14.418) 28.597 0.914 ( -2.934 -0.000 -3.418) 4.505 1.052 ( -5.912 -0.000 -3.229) 6.736 1.078 ( -4.607 -0.000 -3.523) 5.800 1.098 ( -4.674 -0.000 -1.033) 4.786 1.171 ( -1.002 -0.000 4.763) 4.867 1.266 ( 5.443 0.000 1.409) 5.623 1.312 ( -2.834 -0.000 0.394) 2.861 1.396 ( 2.472 0.000 0.419) 2.507 1.450 ( -0.313 -0.000 2.528) 2.548 1.491 ( 1.435 0.000 -1.060) 1.784 1.656 ( -0.779 -0.000 0.174) 0.799 1.677 ( -1.187 -0.000 -0.577) 1.320 1.707 ( -2.179 -0.000 0.314) 2.201 1.849 ( 2.851 0.000 -2.038) 3.504 1.893 ( 0.480 0.000 0.697) 0.846 2.081 ( -2.449 -0.000 -1.556) 2.901 2.096 ( -3.254 -0.000 -3.082) 4.482 2.171 ( -1.181 -0.000 2.374) 2.651 2.182 ( -2.470 -0.000 7.031) 7.452 2.247 ( 1.710 0.000 -0.382) 1.752 2.429 ( 0.025 0.000 -0.160) 0.162 2.445 ( -0.844 -0.000 -2.175) 2.333 2.576 ( 2.924 0.000 -0.040) 2.925 2.600 ( -1.256 -0.000 -0.021) 1.256 2.657 ( -1.657 -0.000 2.538) 3.031 2.709 ( -0.249 -0.000 0.044) 0.253 2.726 ( 0.715 0.000 -0.146) 0.729 3.040 ( 0.883 0.000 -2.922) 3.052 3.040 ( 0.291 0.000 -0.770) 0.823 3.052 ( 0.213 0.000 2.155) 2.166 3.096 ( 0.691 0.000 1.019) 1.231 3.418 ( -0.014 -0.000 0.145) 0.146 3.488 ( -1.231 -0.000 1.070) 1.631 3.772 ( 1.595 0.000 0.250) 1.615 3.868 ( 0.586 0.000 0.548) 0.802 3.986 ( 0.690 0.000 1.203) 1.387 4.121 ( -1.859 -0.000 -1.777) 2.572 4.311 ( -0.623 -0.000 -0.458) 0.773 4.327 ( 0.051 0.000 0.744) 0.746 4.370 ( 1.194 0.000 -0.959) 1.532 4.386 ( 2.028 0.000 1.075) 2.296 4.505 ( -1.824 -0.000 -0.356) 1.858 4.626 ( 6.531 0.000 -13.207) 14.734 4.689 ( -2.503 -0.000 3.716) 4.481 4.740 ( -2.292 -0.000 -0.700) 2.397 4.849 ( -0.643 -0.000 1.258) 1.413 4.857 ( 0.046 0.000 0.751) 0.752 4.861 ( -2.395 -0.000 3.329) 4.101 4.984 ( -10.831 -0.000 15.231) 18.689 5.038 ( -0.454 -0.000 2.985) 3.019 5.159 ( -0.747 -0.000 -0.444) 0.869 5.176 ( -0.319 -0.000 0.182) 0.368 5.179 ( 0.095 0.000 0.355) 0.368 5.822 ( -0.064 -0.000 -0.050) 0.081 5.900 ( 0.001 0.000 0.223) 0.223 5.926 ( 0.108 0.000 0.173) 0.204 5.941 ( 0.180 0.000 0.076) 0.195 5.959 ( -0.117 -0.000 0.024) 0.119 5.973 ( -0.388 -0.000 -0.168) 0.423 5.985 ( -0.300 -0.000 -0.139) 0.331 6.042 ( 0.289 0.000 0.023) 0.290 6.052 ( 0.158 0.000 0.084) 0.179 6.308 ( 10.872 0.000 -19.321) 22.170 6.444 ( 0.827 0.000 -0.045) 0.828 6.677 ( 1.523 0.000 -1.007) 1.825 6.922 ( -2.148 -0.000 -1.055) 2.393 6.938 ( 1.385 0.000 1.663) 2.164 6.976 ( -1.895 -0.000 -0.177) 1.903 7.148 ( 4.941 0.000 -9.034) 10.297 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 7.489 -11.887 4.457) 14.739 0.530 ( 15.287 -9.503 9.571) 20.387 0.768 ( 9.299 -26.850 3.314) 28.607 1.023 ( -5.396 -5.617 -4.350) 8.921 1.040 ( -6.779 -4.900 -2.588) 8.756 1.113 ( -1.971 -13.268 -3.561) 13.879 1.191 ( -3.480 -10.020 0.071) 10.607 1.285 ( -1.234 -1.360 0.759) 1.987 1.318 ( -1.641 -9.923 2.232) 10.303 1.368 ( 2.782 -6.369 1.085) 7.034 1.406 ( 0.248 -6.117 2.036) 6.451 1.480 ( 0.928 0.436 -1.617) 1.915 1.646 ( -1.505 -1.138 -0.497) 1.951 1.655 ( 1.575 -16.762 1.435) 16.897 1.773 ( -4.041 -4.969 -1.617) 6.606 1.850 ( -0.814 -11.406 0.939) 11.474 1.893 ( 2.197 -7.314 -3.726) 8.497 1.962 ( 0.822 -2.597 0.125) 2.727 2.008 ( -2.536 -0.049 -2.888) 3.844 2.098 ( -2.871 -5.767 -2.329) 6.850 2.181 ( 1.668 -1.470 4.199) 4.751 2.215 ( 0.418 -2.962 2.814) 4.107 2.284 ( 1.879 -3.292 -0.109) 3.792 2.474 ( -2.096 -6.676 -1.697) 7.201 2.528 ( -0.041 -4.357 -1.076) 4.488 2.590 ( 2.137 -1.336 1.174) 2.781 2.625 ( 2.544 -3.329 0.576) 4.229 2.648 ( 0.911 -1.937 -0.627) 2.231 2.736 ( -1.241 -4.634 -0.507) 4.824 2.790 ( 0.537 -6.176 0.350) 6.209 2.998 ( -0.976 1.997 1.241) 2.546 3.014 ( 1.003 2.323 -0.985) 2.716 3.096 ( -0.439 -2.857 1.976) 3.501 3.136 ( 0.705 -3.141 0.149) 3.222 3.388 ( 0.030 2.936 0.177) 2.942 3.463 ( -1.818 2.442 1.147) 3.253 3.784 ( 2.214 -0.153 0.631) 2.308 3.875 ( 0.631 -0.181 0.627) 0.908 3.981 ( 1.044 1.341 -0.215) 1.713 4.015 ( -0.358 1.908 0.329) 1.969 4.308 ( -1.238 -0.057 0.210) 1.257 4.325 ( -0.654 -0.639 -0.524) 1.053 4.372 ( 1.354 0.114 -1.272) 1.861 4.435 ( 1.605 -1.112 1.584) 2.514 4.492 ( -0.229 0.915 -0.489) 1.062 4.512 ( 1.541 1.836 0.673) 2.490 4.687 ( -0.405 0.153 -0.010) 0.433 4.720 ( -2.184 1.740 -0.472) 2.832 4.793 ( -1.553 3.635 -0.491) 3.983 4.848 ( -0.366 -0.424 2.083) 2.157 4.866 ( -0.075 -0.320 0.227) 0.399 5.112 ( -0.298 -4.815 0.025) 4.824 5.154 ( 0.896 -14.422 0.709) 14.467 5.238 ( -0.183 -11.865 -0.447) 11.875 5.301 ( -0.347 -14.262 0.411) 14.272 5.459 ( -4.717 -14.353 -0.510) 15.117 5.798 ( -1.822 4.882 0.018) 5.211 5.831 ( 0.372 6.887 -0.029) 6.897 5.859 ( -0.491 6.988 0.171) 7.007 5.882 ( 0.195 5.816 0.507) 5.841 5.902 ( -0.124 4.599 0.186) 4.605 5.952 ( -2.474 1.508 0.401) 2.925 5.956 ( -1.829 2.347 -0.431) 3.006 5.998 ( 0.017 4.744 -0.388) 4.760 6.117 ( -1.844 -4.054 0.430) 4.475 6.292 ( 5.372 0.426 -8.624) 10.170 6.447 ( 1.358 0.200 0.163) 1.383 6.715 ( 2.231 -2.896 -1.285) 3.875 6.817 ( 11.059 10.432 5.186) 16.063 6.915 ( -1.137 0.630 -1.053) 1.673 6.963 ( 1.686 -0.353 2.262) 2.843 6.981 ( -2.468 -1.561 -0.263) 2.932 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 5.186 -13.083 4.160) 14.676 0.818 ( 13.355 -10.024 7.413) 18.270 1.083 ( -4.760 -6.849 -3.438) 9.022 1.095 ( -4.711 -7.055 -4.052) 9.401 1.246 ( 1.068 -8.102 1.218) 8.263 1.314 ( 0.098 -10.542 1.175) 10.608 1.366 ( 1.360 -8.654 0.664) 8.786 1.436 ( -0.244 -5.314 -0.112) 5.321 1.484 ( -1.615 -17.388 -1.479) 17.525 1.522 ( -0.137 -7.539 -2.305) 7.884 1.564 ( -1.211 -9.932 1.941) 10.192 1.634 ( -2.026 -10.197 1.068) 10.451 1.711 ( -0.092 -9.639 0.217) 9.642 1.784 ( -2.713 -1.687 -1.576) 3.562 1.882 ( -1.667 1.108 -3.308) 3.866 1.928 ( 1.789 -1.605 -0.254) 2.417 2.018 ( -0.919 -3.991 -3.012) 5.084 2.065 ( -1.312 -8.314 -0.763) 8.452 2.118 ( 0.211 -9.881 2.193) 10.124 2.268 ( 1.499 -1.713 1.643) 2.807 2.279 ( 1.554 -7.480 2.388) 8.004 2.354 ( -1.739 -12.402 -0.309) 12.527 2.389 ( 1.844 -9.046 -0.675) 9.256 2.551 ( 2.334 -2.598 -1.159) 3.680 2.659 ( -2.524 -8.762 0.277) 9.123 2.696 ( 0.452 -8.614 -0.733) 8.657 2.723 ( 0.201 -6.208 0.096) 6.212 2.782 ( 3.547 -12.808 1.277) 13.351 2.872 ( -2.434 -7.843 -0.485) 8.226 2.946 ( 0.767 -4.400 0.739) 4.527 3.004 ( -0.117 -7.399 -0.958) 7.462 3.013 ( -0.888 -6.431 0.076) 6.493 3.177 ( -0.576 -5.634 1.448) 5.846 3.229 ( 1.162 -6.351 -0.184) 6.459 3.332 ( -0.038 1.641 0.404) 1.690 3.402 ( -1.894 2.182 0.732) 2.981 3.805 ( 2.504 -0.532 0.991) 2.745 3.887 ( 0.752 -0.578 0.630) 1.138 3.970 ( -0.741 -1.028 -1.677) 2.102 4.010 ( -1.009 -0.803 0.280) 1.319 4.309 ( -0.996 -0.178 -0.084) 1.016 4.332 ( -0.086 -0.643 -0.061) 0.652 4.366 ( 0.194 0.576 -1.146) 1.297 4.448 ( 2.508 1.256 1.705) 3.283 4.492 ( 1.503 -0.880 0.529) 1.821 4.525 ( -0.554 -2.248 -0.153) 2.320 4.661 ( -1.883 2.148 0.185) 2.862 4.682 ( -0.223 1.354 0.097) 1.376 4.713 ( -1.758 3.036 -1.415) 3.783 4.864 ( 0.001 0.321 0.162) 0.360 4.875 ( 0.080 -1.768 0.630) 1.878 5.112 ( -0.047 1.540 0.063) 1.542 5.514 ( -0.463 -17.432 0.047) 17.438 5.575 ( 0.600 -15.411 -0.382) 15.427 5.615 ( 0.639 -11.536 0.677) 11.573 5.630 ( -0.133 3.051 -0.241) 3.063 5.658 ( -0.352 9.143 0.145) 9.151 5.687 ( -0.094 7.312 -0.304) 7.319 5.715 ( 0.519 2.301 0.407) 2.393 5.729 ( 0.134 5.056 -0.028) 5.058 5.812 ( 0.505 2.730 0.804) 2.891 5.847 ( -0.575 7.449 -0.392) 7.482 5.916 ( -3.693 -2.028 0.543) 4.248 5.931 ( -2.404 -1.669 -0.780) 3.029 6.164 ( -2.773 -2.463 0.591) 3.755 6.290 ( 1.764 -0.343 -4.868) 5.189 6.454 ( 1.696 -0.000 0.711) 1.839 6.768 ( 6.921 2.443 3.631) 8.188 6.782 ( 2.614 -2.563 -1.027) 3.803 6.900 ( -1.457 -0.356 -2.122) 2.598 6.982 ( 1.813 0.389 2.272) 2.933 7.003 ( -3.440 -2.292 -0.313) 4.145 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 3.715 -10.877 3.692) 12.073 1.073 ( 9.737 -7.243 3.953) 12.763 1.177 ( -3.103 -5.506 -1.702) 6.545 1.209 ( -3.818 -7.906 -3.543) 9.468 1.324 ( 1.164 -3.053 1.872) 3.766 1.453 ( -2.280 -2.634 -2.052) 4.043 1.476 ( -0.140 -3.588 1.136) 3.766 1.523 ( 2.348 -1.947 -0.360) 3.071 1.636 ( -2.988 -4.985 0.622) 5.845 1.683 ( -2.338 -3.943 -0.390) 4.600 1.766 ( -1.025 -10.671 -1.449) 10.818 1.809 ( 0.884 -4.903 -2.486) 5.568 1.843 ( -1.401 -7.960 0.801) 8.122 1.890 ( -0.179 -4.334 -1.278) 4.521 1.931 ( -0.328 -3.883 0.585) 3.940 1.942 ( 0.200 -6.855 0.775) 6.902 2.041 ( 0.040 -1.129 -1.013) 1.518 2.131 ( -2.875 -2.185 -1.067) 3.765 2.239 ( 1.578 0.311 1.774) 2.395 2.313 ( 2.102 -0.302 1.315) 2.498 2.373 ( 1.904 -3.153 1.479) 3.969 2.390 ( 2.007 1.387 -1.624) 2.931 2.596 ( 0.426 -2.929 -0.500) 3.002 2.667 ( 0.345 -3.575 0.111) 3.593 2.761 ( -1.541 -3.252 0.954) 3.723 2.788 ( -0.123 -1.972 -1.270) 2.349 2.942 ( -0.377 -12.631 -0.229) 12.639 2.982 ( -2.124 -10.852 0.268) 11.061 3.047 ( 1.681 -7.252 -0.222) 7.448 3.145 ( 2.562 -17.023 0.563) 17.224 3.213 ( -0.949 -10.983 0.091) 11.024 3.225 ( -1.346 -12.520 -0.351) 12.597 3.313 ( 0.045 -8.824 0.210) 8.827 3.376 ( -0.502 -9.780 0.369) 9.800 3.418 ( -0.433 -9.254 1.148) 9.335 3.440 ( 0.080 -8.690 -0.532) 8.707 3.836 ( 1.961 -1.008 0.961) 2.405 3.910 ( 0.995 -1.195 0.472) 1.625 4.004 ( -0.833 -3.154 -1.479) 3.582 4.027 ( -1.078 -1.426 -0.260) 1.806 4.299 ( -0.535 0.458 -0.469) 0.846 4.347 ( -0.955 0.118 -0.644) 1.158 4.355 ( 0.367 -0.866 0.185) 0.959 4.440 ( 1.948 0.986 1.089) 2.440 4.524 ( 2.128 -0.756 0.428) 2.299 4.575 ( -0.018 -2.166 0.080) 2.168 4.609 ( -1.579 1.856 0.458) 2.480 4.640 ( -0.658 1.722 -0.747) 1.989 4.675 ( -0.258 0.577 -0.495) 0.803 4.859 ( -0.055 0.140 0.240) 0.283 4.918 ( 0.225 -2.454 0.114) 2.467 5.073 ( -0.095 2.436 -0.036) 2.438 5.415 ( -0.804 10.611 -0.317) 10.646 5.444 ( -0.267 11.151 0.113) 11.155 5.459 ( 0.257 11.381 0.212) 11.386 5.499 ( 0.185 11.238 -0.022) 11.240 5.617 ( -0.216 7.783 0.630) 7.811 5.628 ( -0.723 8.513 0.037) 8.544 5.644 ( -0.112 4.669 -0.333) 4.682 5.683 ( 0.255 6.843 -0.210) 6.851 5.956 ( 0.514 -14.441 0.274) 14.452 6.006 ( -0.666 -14.916 -0.425) 14.937 6.057 ( 0.411 -6.740 0.052) 6.752 6.115 ( -2.524 -14.066 0.032) 14.291 6.227 ( -0.877 -5.224 1.596) 5.532 6.310 ( -0.526 -4.690 -3.319) 5.770 6.472 ( 1.498 -0.876 0.968) 1.987 6.787 ( 2.756 0.003 1.606) 3.190 6.814 ( 3.098 0.303 0.139) 3.116 6.912 ( -0.104 -2.152 -2.606) 3.381 6.972 ( 1.003 2.167 1.639) 2.896 7.030 ( -3.155 -2.402 -0.138) 3.967 ======================= Grid point 14 (10/115) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.104 -3.414 2.310) 4.267 1.174 ( 2.213 -1.271 -2.788) 3.779 1.226 ( -0.771 -0.102 1.865) 2.021 1.320 ( -2.260 -5.698 -2.095) 6.478 1.378 ( -1.101 0.246 -0.962) 1.483 1.458 ( 1.282 -2.678 3.039) 4.249 1.502 ( 1.000 0.457 0.610) 1.258 1.558 ( 1.717 0.131 -0.444) 1.778 1.712 ( -1.698 -2.791 1.613) 3.643 1.734 ( -1.894 -4.478 -1.456) 5.075 1.817 ( 0.912 2.216 -3.128) 3.940 1.894 ( -0.461 -3.164 -1.176) 3.407 1.926 ( 0.571 -2.225 0.299) 2.316 1.948 ( 0.202 -0.594 2.719) 2.791 2.019 ( -1.675 -2.450 -0.041) 2.968 2.033 ( -1.244 -4.440 -1.502) 4.850 2.108 ( -0.475 -4.997 0.756) 5.076 2.153 ( 1.114 -0.006 -0.062) 1.116 2.211 ( 0.411 2.484 -2.251) 3.377 2.285 ( 1.071 3.451 3.579) 5.086 2.377 ( 1.186 -0.453 -0.477) 1.356 2.446 ( 0.252 -1.865 -0.098) 1.885 2.598 ( 0.922 0.865 -0.443) 1.340 2.634 ( -0.719 3.421 0.484) 3.529 2.789 ( 0.137 -0.875 0.042) 0.886 2.824 ( -0.125 -1.259 -0.244) 1.289 3.025 ( 0.410 -1.510 -0.897) 1.804 3.095 ( -0.911 0.139 0.635) 1.119 3.267 ( -1.045 -10.966 -0.610) 11.033 3.401 ( 0.442 -5.530 0.560) 5.576 3.401 ( 0.486 -6.937 -0.098) 6.955 3.422 ( -0.473 -6.850 0.055) 6.866 3.486 ( 0.309 -6.341 0.159) 6.351 3.556 ( -0.141 -6.257 0.165) 6.261 3.581 ( -1.189 -6.216 -0.174) 6.331 3.617 ( 1.364 -5.487 0.321) 5.663 3.864 ( 0.520 -0.594 0.517) 0.944 3.936 ( 0.385 -0.345 -0.125) 0.532 4.052 ( -0.076 -1.963 -0.522) 2.033 4.057 ( -0.538 -2.207 -0.056) 2.272 4.291 ( 0.400 0.067 -0.235) 0.469 4.335 ( -1.605 -0.122 -0.440) 1.668 4.377 ( 0.107 -0.544 0.062) 0.558 4.437 ( 0.869 0.584 0.350) 1.104 4.534 ( 1.283 0.631 -0.138) 1.436 4.554 ( -0.483 1.442 0.627) 1.645 4.619 ( 0.044 -0.934 0.006) 0.935 4.627 ( -0.301 -0.157 -0.257) 0.425 4.669 ( -0.013 -0.065 -0.087) 0.110 4.860 ( -0.007 -0.073 0.093) 0.118 4.969 ( 0.150 -2.713 0.053) 2.718 5.020 ( -0.137 2.810 -0.087) 2.815 5.243 ( -0.725 5.372 -0.188) 5.424 5.270 ( 0.235 5.738 -0.029) 5.743 5.286 ( 0.341 5.224 0.151) 5.237 5.321 ( 0.015 5.982 -0.063) 5.983 5.477 ( -0.602 4.608 0.151) 4.649 5.515 ( 0.099 3.047 0.129) 3.051 5.534 ( 0.437 4.262 -0.045) 4.285 5.568 ( -0.758 3.448 -0.175) 3.535 6.094 ( -0.144 -0.888 -0.198) 0.921 6.145 ( -0.861 -4.752 -0.729) 4.884 6.207 ( 1.238 -3.525 1.838) 4.164 6.294 ( -0.501 -2.984 -1.083) 3.214 6.312 ( -0.875 -6.411 -0.298) 6.478 6.441 ( 1.506 -3.875 0.455) 4.182 6.514 ( -0.463 -2.646 0.257) 2.698 6.777 ( -0.077 0.816 -0.053) 0.821 6.836 ( 3.178 0.401 0.651) 3.269 6.925 ( -0.797 2.405 0.370) 2.560 6.945 ( -0.290 -1.361 -0.892) 1.653 7.059 ( -1.093 -1.778 -0.187) 2.096 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -2.861 8.019 -2.765) 8.952 1.112 ( -2.042 8.230 -0.565) 8.498 1.267 ( 1.497 -1.739 1.239) 2.607 1.336 ( -1.032 2.144 -0.599) 2.454 1.384 ( 0.922 -1.106 0.546) 1.540 1.473 ( -0.523 2.444 -0.232) 2.510 1.535 ( -0.398 2.933 0.451) 2.994 1.548 ( 3.468 -1.638 2.740) 4.714 1.726 ( 0.365 0.642 1.008) 1.249 1.765 ( 2.066 1.729 -2.168) 3.458 1.806 ( -2.245 -2.948 -1.815) 4.126 1.882 ( -1.457 3.622 1.008) 4.032 1.908 ( -0.118 1.561 0.332) 1.600 1.967 ( 1.925 1.910 0.103) 2.714 2.034 ( 0.243 0.181 0.142) 0.334 2.083 ( 0.663 6.506 0.018) 6.540 2.116 ( -0.856 -4.293 0.365) 4.392 2.119 ( 0.195 4.155 -0.269) 4.168 2.202 ( -1.452 -0.618 -2.652) 3.086 2.264 ( 1.246 -0.997 3.595) 3.934 2.372 ( -0.007 1.672 0.666) 1.800 2.423 ( -1.202 3.519 -1.746) 4.108 2.595 ( -0.336 -0.572 0.630) 0.915 2.633 ( 0.113 -3.005 -0.483) 3.046 2.799 ( 0.781 0.178 0.173) 0.819 2.826 ( -0.142 0.828 0.104) 0.846 3.040 ( 2.095 0.609 -1.266) 2.522 3.079 ( -2.442 0.737 0.990) 2.737 3.295 ( 0.872 8.542 0.552) 8.605 3.355 ( -1.797 9.077 -1.158) 9.325 3.406 ( 0.247 6.413 0.035) 6.418 3.432 ( 0.186 5.946 -0.024) 5.949 3.487 ( 0.293 6.328 0.196) 6.338 3.565 ( 0.504 5.667 0.291) 5.697 3.582 ( -0.994 5.765 -0.343) 5.860 3.608 ( 0.748 6.510 0.101) 6.554 3.847 ( -0.379 2.404 -0.140) 2.437 3.916 ( -0.853 1.707 -0.489) 1.970 4.072 ( 0.669 0.592 0.090) 0.897 4.074 ( 0.537 0.699 0.940) 1.289 4.301 ( 0.850 -0.850 -0.044) 1.203 4.333 ( -1.437 -0.591 -0.227) 1.571 4.368 ( -0.410 1.130 -0.251) 1.228 4.422 ( -0.024 1.244 -0.088) 1.247 4.514 ( -0.542 0.889 0.194) 1.059 4.574 ( 1.290 -2.345 0.114) 2.679 4.617 ( -0.110 0.439 -0.091) 0.461 4.627 ( -0.457 0.427 -0.023) 0.626 4.671 ( 0.054 -0.156 0.051) 0.173 4.859 ( 0.005 0.156 -0.040) 0.161 4.965 ( -0.092 2.771 -0.061) 2.773 5.024 ( 0.049 -2.784 0.050) 2.785 5.251 ( -0.126 -6.545 -0.257) 6.551 5.267 ( 0.078 -5.287 0.243) 5.293 5.294 ( 0.882 -5.097 -0.047) 5.173 5.315 ( -0.641 -5.933 0.026) 5.968 5.473 ( -0.542 -4.731 -0.088) 4.762 5.502 ( -0.162 -3.019 -0.175) 3.028 5.556 ( 1.192 -4.432 0.053) 4.589 5.576 ( -0.200 -4.241 0.165) 4.249 6.101 ( 0.140 0.393 0.170) 0.451 6.144 ( -0.562 4.585 -0.566) 4.654 6.222 ( 2.293 3.372 1.390) 4.308 6.283 ( -1.559 3.456 -0.747) 3.864 6.329 ( 0.119 4.418 0.071) 4.421 6.443 ( 2.161 3.429 0.199) 4.058 6.498 ( -1.882 3.656 -0.229) 4.118 6.780 ( 0.030 3.790 -0.658) 3.847 6.793 ( -0.403 -0.155 0.690) 0.814 6.914 ( -0.556 -1.109 -0.543) 1.354 6.952 ( -0.506 0.304 0.592) 0.836 7.080 ( 0.617 -0.403 -0.194) 0.762 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -2.609 12.228 -2.348) 12.722 0.892 ( -2.088 12.860 -0.538) 13.039 1.258 ( 0.245 3.845 0.893) 3.955 1.275 ( 1.535 3.846 0.567) 4.180 1.372 ( 3.636 4.125 1.085) 5.605 1.419 ( -1.721 3.007 -0.653) 3.526 1.434 ( -2.463 4.992 -0.680) 5.608 1.536 ( 0.288 4.419 0.125) 4.430 1.683 ( 0.984 4.021 -0.333) 4.153 1.725 ( 1.326 7.728 1.004) 7.905 1.758 ( -1.162 7.941 -0.997) 8.088 1.824 ( 0.046 2.075 0.560) 2.150 1.872 ( 0.305 6.866 1.515) 7.037 1.891 ( 0.063 -0.110 -0.673) 0.685 1.937 ( 0.388 10.921 -0.387) 10.935 1.963 ( 0.703 3.690 0.767) 3.834 2.079 ( 1.336 -0.810 0.907) 1.806 2.150 ( -1.399 1.878 -1.566) 2.818 2.202 ( -0.068 -1.130 -0.026) 1.132 2.281 ( 0.373 3.791 0.561) 3.851 2.326 ( 0.612 3.289 -0.181) 3.350 2.364 ( -2.420 -1.001 -0.257) 2.632 2.580 ( -0.763 2.971 0.242) 3.077 2.662 ( 0.173 3.054 -0.286) 3.072 2.789 ( 0.958 1.948 -0.158) 2.176 2.799 ( -0.081 1.920 0.383) 1.960 2.969 ( 2.020 11.060 0.032) 11.243 2.996 ( -2.834 10.661 0.248) 11.034 3.035 ( 3.332 12.444 -0.174) 12.883 3.073 ( -3.402 15.103 -0.534) 15.490 3.226 ( 0.396 10.391 -0.118) 10.399 3.257 ( 0.435 12.039 0.450) 12.055 3.305 ( -0.116 9.146 -0.377) 9.154 3.376 ( -0.220 11.399 0.042) 11.401 3.408 ( 0.074 9.444 -0.204) 9.447 3.455 ( 0.363 7.018 0.007) 7.027 3.796 ( -0.607 1.925 -0.204) 2.029 3.884 ( -0.502 0.935 -0.275) 1.096 4.039 ( 0.474 2.490 0.805) 2.659 4.050 ( 0.458 2.097 -0.037) 2.147 4.328 ( 0.481 -1.410 -0.125) 1.495 4.337 ( 0.477 0.154 0.249) 0.559 4.351 ( -1.169 -0.204 -0.104) 1.191 4.396 ( -0.561 1.077 -0.397) 1.278 4.490 ( -0.530 1.291 -0.089) 1.398 4.584 ( 0.279 2.525 0.151) 2.545 4.633 ( 1.050 -2.419 -0.351) 2.661 4.644 ( -0.609 -2.592 0.315) 2.681 4.686 ( 0.134 -1.668 0.174) 1.683 4.857 ( 0.010 -0.118 -0.075) 0.140 4.913 ( -0.067 2.561 -0.050) 2.562 5.074 ( 0.014 -2.360 0.005) 2.360 5.432 ( 0.356 -10.637 0.070) 10.643 5.446 ( -0.088 -12.109 0.025) 12.110 5.457 ( 0.143 -10.606 -0.102) 10.607 5.496 ( -0.055 -11.484 0.013) 11.484 5.616 ( 0.153 -7.794 -0.157) 7.797 5.620 ( -0.383 -8.318 -0.044) 8.327 5.659 ( 0.314 -5.334 -0.051) 5.344 5.683 ( -0.034 -5.005 0.172) 5.008 5.939 ( -0.316 15.657 -0.210) 15.661 6.021 ( 0.172 16.655 0.163) 16.656 6.053 ( -0.006 5.452 0.009) 5.452 6.153 ( 0.682 12.839 -0.022) 12.857 6.249 ( 1.009 0.946 -0.171) 1.394 6.361 ( 0.880 4.855 1.382) 5.124 6.437 ( -0.909 1.135 -0.301) 1.485 6.679 ( -1.940 3.940 -1.124) 4.533 6.801 ( -0.222 0.853 0.249) 0.915 6.930 ( -0.602 -0.854 -0.534) 1.173 6.942 ( 0.084 0.519 0.711) 0.884 7.077 ( 0.836 1.121 -0.008) 1.399 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 14.652 -0.000) 14.652 0.609 ( 0.000 15.602 -0.000) 15.602 1.153 ( 0.000 9.830 -0.000) 9.830 1.186 ( 0.000 5.826 -0.000) 5.826 1.288 ( 0.000 6.626 -0.000) 6.626 1.295 ( 0.000 14.087 -0.000) 14.087 1.300 ( 0.000 4.256 -0.000) 4.256 1.439 ( 0.000 2.945 -0.000) 2.945 1.517 ( 0.000 15.609 -0.000) 15.609 1.527 ( 0.000 7.894 -0.000) 7.894 1.567 ( 0.000 10.918 -0.000) 10.918 1.647 ( 0.000 13.876 -0.000) 13.876 1.716 ( 0.000 7.021 -0.000) 7.021 1.824 ( -0.000 -0.057 0.000) 0.057 1.906 ( 0.000 6.655 -0.000) 6.655 1.952 ( -0.000 -2.197 0.000) 2.197 2.043 ( 0.000 8.881 -0.000) 8.881 2.078 ( 0.000 3.582 -0.000) 3.582 2.156 ( 0.000 5.154 -0.000) 5.154 2.174 ( 0.000 3.279 -0.000) 3.279 2.264 ( 0.000 10.185 -0.000) 10.185 2.318 ( 0.000 0.994 -0.000) 0.994 2.418 ( 0.000 19.427 -0.000) 19.427 2.537 ( -0.000 -0.220 0.000) 0.220 2.690 ( 0.000 9.894 -0.000) 9.894 2.691 ( 0.000 9.725 -0.000) 9.725 2.704 ( 0.000 9.998 -0.000) 9.998 2.743 ( 0.000 8.593 -0.000) 8.593 2.910 ( 0.000 6.848 -0.000) 6.848 2.924 ( 0.000 3.300 -0.000) 3.300 3.011 ( 0.000 9.253 -0.000) 9.253 3.021 ( 0.000 7.129 -0.000) 7.129 3.170 ( 0.000 6.006 -0.000) 6.006 3.212 ( 0.000 5.853 -0.000) 5.853 3.332 ( -0.000 -1.461 0.000) 1.461 3.419 ( -0.000 -2.115 0.000) 2.115 3.770 ( 0.000 0.675 -0.000) 0.675 3.871 ( 0.000 0.350 -0.000) 0.350 4.006 ( 0.000 1.167 -0.000) 1.167 4.011 ( 0.000 1.691 -0.000) 1.691 4.335 ( 0.000 0.345 -0.000) 0.345 4.355 ( -0.000 -0.432 0.000) 0.432 4.356 ( -0.000 -1.277 0.000) 1.277 4.376 ( 0.000 0.551 -0.000) 0.551 4.467 ( 0.000 0.810 -0.000) 0.810 4.541 ( 0.000 1.740 -0.000) 1.740 4.678 ( -0.000 -1.099 0.000) 1.099 4.689 ( -0.000 -2.978 0.000) 2.978 4.742 ( -0.000 -3.536 0.000) 3.536 4.863 ( -0.000 -0.361 0.000) 0.361 4.868 ( 0.000 2.000 -0.000) 2.000 5.112 ( -0.000 -1.478 0.000) 1.478 5.516 ( 0.000 19.231 -0.000) 19.231 5.577 ( 0.000 15.579 -0.000) 15.579 5.597 ( 0.000 12.189 -0.000) 12.189 5.636 ( -0.000 -3.484 0.000) 3.484 5.663 ( -0.000 -9.782 0.000) 9.782 5.690 ( -0.000 -9.285 0.000) 9.285 5.702 ( -0.000 -4.448 0.000) 4.448 5.728 ( -0.000 -4.080 0.000) 4.080 5.802 ( -0.000 -3.149 0.000) 3.149 5.851 ( -0.000 -8.759 0.000) 8.759 5.961 ( 0.000 0.535 -0.000) 0.535 5.964 ( 0.000 3.238 -0.000) 3.238 6.230 ( 0.000 1.673 -0.000) 1.673 6.300 ( 0.000 2.523 -0.000) 2.523 6.428 ( -0.000 -0.172 0.000) 0.172 6.621 ( 0.000 1.204 -0.000) 1.204 6.762 ( 0.000 2.848 -0.000) 2.848 6.931 ( 0.000 0.249 -0.000) 0.249 6.944 ( -0.000 -0.295 0.000) 0.295 7.046 ( 0.000 2.137 -0.000) 2.137 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 11.734 0.000 5.131) 12.807 0.358 ( 13.391 0.000 5.214) 14.371 0.686 ( 22.332 0.000 13.102) 25.892 0.853 ( -3.555 -0.000 -4.203) 5.505 0.957 ( -7.733 -0.000 -3.427) 8.459 0.982 ( -7.317 -0.000 -6.332) 9.677 1.024 ( -7.277 -0.000 -1.727) 7.479 1.197 ( 0.075 0.000 4.126) 4.127 1.292 ( -2.039 -0.000 2.024) 2.873 1.327 ( 5.066 0.000 0.710) 5.115 1.417 ( 1.027 0.000 -0.877) 1.351 1.461 ( -1.861 -0.000 3.542) 4.002 1.508 ( 2.973 0.000 -0.454) 3.007 1.636 ( -2.725 -0.000 -0.681) 2.809 1.642 ( -3.487 -0.000 -1.934) 3.988 1.698 ( -0.731 -0.000 1.038) 1.270 1.864 ( 2.882 0.000 -3.512) 4.543 1.900 ( -0.235 -0.000 0.377) 0.444 2.042 ( -2.276 -0.000 -2.051) 3.063 2.046 ( -2.819 -0.000 -1.772) 3.330 2.172 ( -0.989 -0.000 2.000) 2.231 2.198 ( -0.649 -0.000 3.235) 3.299 2.258 ( 0.923 0.000 -0.931) 1.311 2.415 ( -1.409 -0.000 -3.173) 3.472 2.429 ( 0.293 0.000 -0.183) 0.345 2.591 ( -0.556 -0.000 0.749) 0.933 2.614 ( 4.061 0.000 -0.064) 4.062 2.654 ( -0.570 -0.000 0.381) 0.686 2.705 ( -0.630 -0.000 -0.171) 0.653 2.737 ( 1.592 0.000 -0.089) 1.594 3.028 ( -1.021 -0.000 -0.586) 1.178 3.038 ( 0.290 0.000 -1.020) 1.061 3.068 ( -0.427 -0.000 2.684) 2.718 3.107 ( 0.062 0.000 0.946) 0.948 3.419 ( 0.025 0.000 0.196) 0.198 3.480 ( -1.793 -0.000 1.501) 2.338 3.798 ( 2.763 0.000 0.814) 2.880 3.880 ( 0.710 0.000 0.797) 1.068 4.005 ( 0.976 0.000 1.983) 2.210 4.091 ( -1.723 -0.000 -1.118) 2.054 4.302 ( -0.755 -0.000 -0.052) 0.756 4.332 ( 0.392 0.000 0.074) 0.399 4.376 ( 1.178 0.000 -1.471) 1.885 4.414 ( 1.790 0.000 0.801) 1.961 4.478 ( -2.726 -0.000 -0.317) 2.744 4.606 ( 1.285 0.000 -5.787) 5.928 4.685 ( -1.295 -0.000 1.419) 1.921 4.711 ( -2.460 -0.000 -0.274) 2.475 4.848 ( -2.615 -0.000 3.912) 4.705 4.851 ( -1.863 -0.000 0.112) 1.867 4.858 ( 1.149 0.000 -1.763) 2.104 4.964 ( -4.991 -0.000 5.233) 7.232 5.053 ( 0.250 0.000 1.929) 1.945 5.151 ( -0.300 -0.000 -0.007) 0.300 5.172 ( -0.655 -0.000 0.202) 0.686 5.182 ( 0.220 0.000 0.148) 0.265 5.821 ( -0.097 -0.000 -0.076) 0.124 5.902 ( 0.160 0.000 0.112) 0.196 5.929 ( 0.182 0.000 0.330) 0.377 5.944 ( 0.333 0.000 0.136) 0.360 5.957 ( -0.195 -0.000 0.009) 0.195 5.966 ( -0.484 -0.000 -0.479) 0.681 5.980 ( -0.497 -0.000 -0.225) 0.546 6.046 ( 0.407 0.000 0.036) 0.409 6.054 ( 0.231 0.000 0.110) 0.256 6.299 ( 4.272 0.000 -8.895) 9.868 6.456 ( 1.590 0.000 0.013) 1.590 6.691 ( 2.847 0.000 -1.738) 3.335 6.884 ( -3.745 -0.000 -1.022) 3.882 6.945 ( -3.287 -0.000 -0.730) 3.367 6.972 ( 2.272 0.000 2.816) 3.618 7.140 ( 1.551 0.000 -4.397) 4.663 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 8.699 -9.382 4.612) 13.600 0.712 ( 10.093 -15.346 6.136) 19.365 0.913 ( 6.339 -8.141 0.304) 10.322 0.941 ( -4.591 -4.797 -3.703) 7.603 0.959 ( 0.014 -10.244 2.120) 10.461 1.060 ( -2.702 -18.040 -4.105) 18.697 1.136 ( -5.791 -13.326 -1.318) 14.590 1.275 ( -1.655 -1.107 1.963) 2.796 1.329 ( 0.432 -7.188 2.106) 7.502 1.401 ( 1.043 -3.138 2.080) 3.906 1.431 ( 2.018 -6.939 1.387) 7.358 1.472 ( -0.239 -0.719 -1.862) 2.010 1.615 ( -3.364 -2.253 -0.860) 4.139 1.687 ( 1.449 -13.458 1.116) 13.582 1.717 ( -3.348 -8.142 -1.400) 8.914 1.845 ( -0.617 -10.399 -0.174) 10.419 1.888 ( 0.965 -5.319 -3.615) 6.503 1.969 ( 0.559 -0.957 -1.003) 1.495 1.973 ( -1.297 -1.102 -1.054) 2.002 2.050 ( -3.821 -5.442 -1.566) 6.831 2.219 ( 1.421 -3.208 3.214) 4.758 2.235 ( 0.566 -3.589 1.659) 3.994 2.301 ( 1.509 -4.427 -0.193) 4.681 2.443 ( -1.627 -6.185 -1.656) 6.606 2.521 ( 0.025 -5.743 -1.231) 5.874 2.614 ( 1.078 -1.048 1.322) 2.002 2.635 ( 0.811 -2.643 -1.088) 2.971 2.678 ( 3.778 -2.620 0.460) 4.620 2.718 ( -1.804 -3.845 -0.256) 4.255 2.799 ( 0.786 -5.589 0.276) 5.651 2.991 ( -1.488 1.863 0.826) 2.523 3.015 ( 0.279 2.125 -1.103) 2.411 3.101 ( -1.115 -2.750 2.079) 3.624 3.142 ( 0.331 -3.203 -0.031) 3.220 3.391 ( 0.298 2.875 0.234) 2.900 3.450 ( -2.029 2.594 1.199) 3.505 3.817 ( 2.970 -0.138 1.131) 3.181 3.886 ( 0.473 -0.091 0.717) 0.864 3.994 ( 1.086 3.885 -0.144) 4.037 4.008 ( -0.829 1.457 0.562) 1.769 4.301 ( -0.588 -0.110 0.427) 0.735 4.323 ( 0.520 -0.168 -0.170) 0.573 4.372 ( 0.346 0.299 -1.814) 1.870 4.454 ( 0.423 -1.911 0.415) 2.000 4.472 ( -1.293 -0.835 0.022) 1.539 4.539 ( 1.893 2.831 0.450) 3.435 4.679 ( -1.059 0.631 -0.228) 1.254 4.697 ( -1.766 0.668 0.189) 1.898 4.768 ( -2.346 4.117 -0.932) 4.829 4.855 ( -0.676 -0.490 1.919) 2.093 4.867 ( 0.093 -0.237 0.034) 0.257 5.107 ( -0.438 -6.568 -0.094) 6.583 5.167 ( 0.570 -11.835 0.757) 11.873 5.233 ( -0.104 -12.688 -0.499) 12.698 5.304 ( 0.355 -14.805 0.755) 14.828 5.411 ( -3.611 -16.551 -0.637) 16.953 5.780 ( -1.428 4.878 -0.070) 5.083 5.834 ( 0.175 6.920 0.083) 6.923 5.856 ( -0.290 7.236 0.106) 7.242 5.887 ( 0.083 6.152 0.498) 6.173 5.903 ( 0.046 4.046 0.455) 4.072 5.929 ( -1.663 3.252 0.267) 3.663 5.945 ( -0.471 2.401 -0.929) 2.618 5.996 ( 0.031 4.750 -0.341) 4.763 6.111 ( -0.213 -2.906 0.337) 2.933 6.287 ( 2.495 0.385 -5.409) 5.969 6.466 ( 1.861 -0.004 0.360) 1.896 6.734 ( 3.332 -2.960 -1.973) 4.875 6.859 ( -2.680 0.800 -0.604) 2.861 6.933 ( -3.084 -0.079 -0.481) 3.122 6.959 ( 4.682 6.249 1.842) 8.022 7.012 ( 3.345 1.396 2.416) 4.355 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 5.818 -11.647 4.084) 13.644 0.990 ( 7.629 -8.695 3.612) 12.119 1.010 ( -4.779 -7.551 -3.653) 9.654 1.029 ( -0.115 -7.734 -0.062) 7.735 1.272 ( 2.057 -5.724 0.833) 6.139 1.315 ( -1.556 -8.885 0.638) 9.043 1.369 ( -0.353 -9.940 -0.517) 9.959 1.428 ( -1.742 -12.313 -0.384) 12.442 1.470 ( 0.726 -12.165 -0.454) 12.195 1.499 ( -0.315 -7.832 -2.709) 8.294 1.566 ( -1.261 -9.698 2.633) 10.128 1.617 ( -2.159 -7.368 0.657) 7.706 1.710 ( -0.131 -8.643 -0.739) 8.676 1.747 ( -2.361 -5.823 -0.745) 6.327 1.846 ( -1.192 0.304 -2.904) 3.154 1.951 ( 2.131 0.377 0.551) 2.234 1.997 ( 0.311 -3.239 -2.490) 4.097 2.047 ( -1.584 -5.833 -0.080) 6.045 2.138 ( 1.180 -14.102 1.876) 14.275 2.272 ( -1.979 -15.805 -1.126) 15.968 2.294 ( -0.085 -3.289 1.420) 3.584 2.351 ( 0.814 -6.630 1.388) 6.822 2.410 ( 2.378 -4.504 -0.430) 5.111 2.571 ( 2.570 -5.945 -0.964) 6.548 2.635 ( -2.318 -7.723 0.348) 8.071 2.692 ( -0.098 -6.982 -0.851) 7.034 2.727 ( 0.502 -6.816 0.218) 6.838 2.819 ( 0.654 -12.368 -0.239) 12.388 2.855 ( 0.588 -7.847 1.346) 7.983 2.957 ( 0.565 -6.093 0.708) 6.160 2.991 ( -1.138 -6.256 -1.196) 6.470 3.003 ( -0.795 -6.019 -0.394) 6.084 3.178 ( -0.648 -5.573 1.029) 5.704 3.237 ( 0.644 -6.569 -0.232) 6.604 3.338 ( 0.439 1.708 0.611) 1.867 3.385 ( -2.048 2.256 0.506) 3.088 3.840 ( 2.608 -0.254 1.169) 2.869 3.897 ( 0.289 -0.743 0.477) 0.929 3.954 ( -0.557 -0.480 -1.275) 1.471 4.003 ( -0.697 -0.499 0.250) 0.893 4.302 ( -0.127 0.134 -0.057) 0.193 4.335 ( 0.412 -0.832 0.208) 0.951 4.354 ( -1.053 0.782 -1.285) 1.836 4.478 ( 1.608 0.924 1.030) 2.121 4.503 ( 0.251 -2.667 -0.042) 2.680 4.532 ( 1.303 -1.141 0.710) 1.872 4.643 ( -1.810 1.975 0.629) 2.752 4.679 ( -0.884 2.522 -0.384) 2.699 4.684 ( -1.220 1.277 -1.428) 2.271 4.865 ( -0.107 0.330 0.283) 0.448 4.879 ( 0.170 -1.684 0.384) 1.736 5.112 ( -0.078 1.587 0.040) 1.590 5.508 ( -0.556 -16.389 -0.067) 16.398 5.581 ( 0.864 -16.440 -0.321) 16.466 5.621 ( 0.028 1.185 -0.061) 1.187 5.633 ( 0.451 -5.932 0.822) 6.006 5.656 ( -0.076 5.578 -0.050) 5.579 5.683 ( -0.214 8.020 -0.268) 8.027 5.720 ( -0.005 -2.841 0.216) 2.849 5.731 ( 0.306 6.987 0.046) 6.994 5.823 ( -0.357 4.424 0.584) 4.477 5.832 ( -0.857 1.854 -0.178) 2.050 5.889 ( -1.633 1.465 0.312) 2.216 5.900 ( -2.447 -0.448 -0.823) 2.620 6.149 ( -0.955 -1.816 0.564) 2.128 6.278 ( 0.912 0.094 -3.248) 3.374 6.478 ( 1.793 -0.056 0.886) 2.001 6.805 ( 3.135 -1.913 -0.663) 3.732 6.828 ( 0.709 0.406 -0.858) 1.185 6.895 ( 2.964 1.902 0.825) 3.617 6.954 ( -4.476 -2.690 -0.354) 5.234 7.020 ( 1.762 1.109 2.031) 2.909 ======================= Grid point 23 (17/115) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 3.562 -9.761 3.337) 10.913 1.119 ( -1.416 -5.847 -3.487) 6.953 1.154 ( -2.667 -8.688 -2.242) 9.361 1.202 ( 5.745 -3.963 4.486) 8.297 1.351 ( 0.624 -2.618 -0.082) 2.693 1.408 ( -2.145 -3.287 0.946) 4.037 1.475 ( -0.888 -4.029 -0.314) 4.138 1.557 ( 4.122 -2.948 -0.719) 5.118 1.610 ( -2.986 -6.328 0.943) 7.061 1.650 ( -2.845 -0.968 -1.166) 3.224 1.743 ( -1.426 -10.448 -1.227) 10.616 1.808 ( 1.892 -7.755 -2.658) 8.413 1.831 ( -2.159 -8.383 1.575) 8.798 1.879 ( -0.265 -4.883 -0.917) 4.976 1.940 ( 0.523 -5.299 0.884) 5.398 1.949 ( 0.431 -3.420 0.407) 3.472 2.045 ( 1.255 -1.883 -0.122) 2.266 2.096 ( -2.642 -3.061 -0.735) 4.110 2.260 ( 0.882 2.163 0.684) 2.434 2.338 ( 1.174 -3.349 0.911) 3.664 2.374 ( -0.314 0.994 -0.766) 1.293 2.425 ( 2.964 0.004 0.957) 3.115 2.596 ( 0.103 -5.197 -0.099) 5.199 2.668 ( 0.112 -1.459 -0.535) 1.558 2.756 ( -0.815 -4.592 1.301) 4.842 2.778 ( -0.223 -1.708 -1.361) 2.195 2.940 ( 0.013 -14.106 0.023) 14.106 2.963 ( -1.231 -9.580 -0.431) 9.669 3.057 ( 0.485 -6.017 0.080) 6.037 3.171 ( 1.977 -16.668 0.184) 16.785 3.203 ( -0.378 -12.027 -0.673) 12.052 3.213 ( -1.459 -12.313 0.715) 12.420 3.314 ( 0.098 -9.074 -0.025) 9.074 3.374 ( -0.424 -9.195 0.484) 9.217 3.414 ( -0.904 -8.114 0.417) 8.175 3.443 ( 0.614 -10.604 -0.105) 10.622 3.859 ( 1.313 -0.338 0.739) 1.544 3.920 ( 0.514 -1.328 0.200) 1.438 3.989 ( -0.473 -3.353 -0.923) 3.510 4.017 ( -0.627 -1.301 -0.112) 1.449 4.297 ( 0.603 0.317 -0.221) 0.716 4.328 ( -1.639 0.559 -0.629) 1.843 4.359 ( 0.107 -1.220 0.113) 1.230 4.462 ( 1.079 1.353 0.559) 1.818 4.549 ( 2.082 -0.762 0.427) 2.258 4.580 ( 0.791 -2.275 0.338) 2.432 4.596 ( -1.491 1.965 0.609) 2.540 4.623 ( -1.322 0.983 -1.207) 2.042 4.671 ( -0.070 0.350 -0.214) 0.416 4.860 ( -0.046 0.140 0.163) 0.220 4.920 ( 0.160 -2.387 0.064) 2.394 5.071 ( -0.082 2.472 -0.032) 2.473 5.406 ( -0.577 10.593 -0.246) 10.612 5.444 ( -0.060 11.077 0.134) 11.078 5.463 ( 0.301 11.352 0.137) 11.357 5.500 ( 0.105 11.231 -0.012) 11.232 5.612 ( -1.086 8.632 0.004) 8.700 5.625 ( 0.073 7.080 0.669) 7.112 5.642 ( -0.034 4.937 -0.640) 4.979 5.685 ( 0.226 7.860 -0.026) 7.863 5.960 ( 0.107 -13.391 0.033) 13.391 5.999 ( -0.321 -14.478 -0.196) 14.483 6.063 ( 0.702 -7.896 -0.090) 7.928 6.091 ( -1.992 -14.463 0.189) 14.601 6.236 ( 0.004 -7.592 2.338) 7.944 6.284 ( -0.437 -3.968 -3.212) 5.124 6.493 ( 1.255 -0.473 0.861) 1.594 6.798 ( -0.122 1.191 0.152) 1.207 6.862 ( 3.759 -0.205 0.093) 3.766 6.903 ( 0.985 -1.733 -1.010) 2.235 6.981 ( -1.221 1.501 0.633) 2.036 7.001 ( -1.599 -1.710 0.186) 2.349 ======================= Grid point 24 (18/115) ======================= q-point: ( 0.67 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -0.482 2.381 0.106) 2.431 1.187 ( 2.806 -4.907 -1.242) 5.787 1.225 ( -1.916 2.029 1.536) 3.185 1.290 ( -1.098 -6.361 -1.105) 6.549 1.356 ( -0.795 -0.211 -0.698) 1.079 1.503 ( 1.146 -1.136 0.830) 1.814 1.522 ( 1.955 -3.010 3.207) 4.813 1.569 ( 0.680 0.829 -0.578) 1.218 1.685 ( -1.994 -3.318 -2.537) 4.628 1.716 ( -0.809 -5.214 0.881) 5.349 1.817 ( 1.105 2.676 -1.117) 3.103 1.882 ( -0.434 -4.365 -0.562) 4.422 1.924 ( -0.641 -0.727 0.330) 1.023 1.970 ( 0.878 -3.515 0.819) 3.714 2.007 ( -1.172 -1.724 1.644) 2.655 2.016 ( -0.089 -2.500 -2.082) 3.254 2.108 ( -0.153 -5.213 0.264) 5.222 2.160 ( 0.351 -1.862 0.062) 1.896 2.205 ( 0.223 3.679 -0.811) 3.774 2.300 ( -0.377 3.124 0.897) 3.272 2.403 ( 2.704 -0.145 1.436) 3.065 2.437 ( -1.379 -0.514 -1.180) 1.886 2.609 ( 1.396 1.716 -0.054) 2.212 2.625 ( -1.338 2.468 0.074) 2.808 2.792 ( 0.213 -1.163 0.046) 1.183 2.821 ( -0.118 -1.364 -0.114) 1.374 3.026 ( 0.591 -1.769 -0.728) 2.003 3.087 ( -0.915 0.437 0.535) 1.146 3.255 ( -0.508 -10.984 -0.290) 11.000 3.400 ( 0.029 -6.578 -0.145) 6.580 3.410 ( 0.287 -5.238 0.214) 5.250 3.419 ( -0.170 -7.397 0.089) 7.400 3.490 ( 0.227 -6.278 0.120) 6.283 3.557 ( 0.030 -6.904 0.142) 6.905 3.571 ( -0.516 -5.824 -0.104) 5.847 3.629 ( 0.511 -5.453 0.115) 5.478 3.870 ( 0.178 0.029 0.235) 0.296 3.937 ( 0.045 0.367 -0.166) 0.405 4.051 ( 0.186 -2.796 -0.383) 2.828 4.053 ( -0.275 -2.613 0.282) 2.643 4.298 ( 1.079 -0.034 -0.170) 1.093 4.315 ( -1.622 -0.270 -0.161) 1.653 4.376 ( -0.083 -0.305 -0.028) 0.318 4.445 ( 0.317 1.026 0.101) 1.078 4.543 ( 0.448 2.073 -0.058) 2.122 4.557 ( 0.146 0.347 0.424) 0.567 4.619 ( 0.050 -0.613 -0.142) 0.631 4.622 ( -0.306 -0.760 -0.058) 0.821 4.669 ( 0.007 -0.145 -0.028) 0.148 4.860 ( -0.003 -0.052 0.042) 0.067 4.970 ( 0.066 -2.716 0.018) 2.716 5.019 ( -0.067 2.847 -0.039) 2.848 5.236 ( -0.354 5.280 -0.117) 5.293 5.272 ( 0.150 5.630 0.019) 5.632 5.291 ( 0.262 5.090 0.067) 5.097 5.320 ( -0.081 6.246 -0.040) 6.246 5.471 ( -0.438 4.459 0.040) 4.480 5.515 ( -0.041 3.857 0.051) 3.858 5.543 ( 0.898 3.072 -0.018) 3.201 5.559 ( -0.815 3.488 -0.053) 3.582 6.092 ( -0.052 -1.057 -0.070) 1.060 6.135 ( -0.364 -4.476 -0.314) 4.502 6.234 ( 1.312 -5.354 1.719) 5.774 6.276 ( -1.044 -1.593 -1.358) 2.339 6.305 ( -0.283 -6.467 -0.147) 6.474 6.459 ( 1.066 -6.064 0.205) 6.160 6.509 ( -0.526 -0.284 0.150) 0.616 6.776 ( 0.027 0.408 0.014) 0.410 6.875 ( 3.353 2.053 0.578) 3.974 6.908 ( -2.449 2.680 -0.192) 3.636 6.938 ( -0.156 -1.444 -0.336) 1.491 7.049 ( -0.470 -2.620 -0.147) 2.666 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 8.780 -0.000) 8.780 1.100 ( 0.000 9.039 -0.000) 9.039 1.279 ( -0.000 -2.132 0.000) 2.132 1.329 ( 0.000 1.700 -0.000) 1.700 1.389 ( -0.000 -2.877 0.000) 2.877 1.470 ( 0.000 3.540 -0.000) 3.540 1.535 ( 0.000 3.925 -0.000) 3.925 1.579 ( -0.000 -0.207 0.000) 0.207 1.733 ( -0.000 -1.865 0.000) 1.865 1.769 ( 0.000 1.221 -0.000) 1.221 1.784 ( -0.000 -1.617 0.000) 1.617 1.877 ( 0.000 3.592 -0.000) 3.592 1.909 ( 0.000 1.214 -0.000) 1.214 1.979 ( 0.000 2.762 -0.000) 2.762 2.037 ( -0.000 -1.693 0.000) 1.693 2.084 ( 0.000 6.842 -0.000) 6.842 2.107 ( -0.000 -4.771 0.000) 4.771 2.126 ( 0.000 4.230 -0.000) 4.230 2.184 ( 0.000 0.575 -0.000) 0.575 2.284 ( -0.000 -2.329 0.000) 2.329 2.389 ( 0.000 3.564 -0.000) 3.564 2.395 ( 0.000 3.194 -0.000) 3.194 2.595 ( -0.000 -0.441 0.000) 0.441 2.632 ( -0.000 -2.810 0.000) 2.810 2.805 ( 0.000 0.009 -0.000) 0.009 2.825 ( 0.000 0.719 -0.000) 0.719 3.054 ( -0.000 -0.752 0.000) 0.752 3.062 ( 0.000 2.052 -0.000) 2.052 3.304 ( 0.000 6.012 -0.000) 6.012 3.339 ( 0.000 11.651 -0.000) 11.651 3.408 ( 0.000 6.284 -0.000) 6.284 3.432 ( 0.000 6.013 -0.000) 6.013 3.490 ( 0.000 6.279 -0.000) 6.279 3.571 ( 0.000 5.996 -0.000) 5.996 3.574 ( 0.000 5.359 -0.000) 5.359 3.612 ( 0.000 6.629 -0.000) 6.629 3.844 ( 0.000 2.704 -0.000) 2.704 3.909 ( 0.000 1.864 -0.000) 1.864 4.076 ( 0.000 0.518 -0.000) 0.518 4.081 ( 0.000 0.318 -0.000) 0.318 4.306 ( -0.000 -0.680 0.000) 0.680 4.325 ( -0.000 -1.037 0.000) 1.037 4.364 ( 0.000 1.304 -0.000) 1.304 4.422 ( 0.000 1.493 -0.000) 1.493 4.512 ( 0.000 1.121 -0.000) 1.121 4.583 ( -0.000 -2.686 0.000) 2.686 4.615 ( 0.000 0.117 -0.000) 0.117 4.623 ( 0.000 0.973 -0.000) 0.973 4.672 ( -0.000 -0.183 0.000) 0.183 4.859 ( 0.000 0.174 -0.000) 0.174 4.965 ( 0.000 2.787 -0.000) 2.787 5.024 ( -0.000 -2.786 0.000) 2.786 5.249 ( -0.000 -6.755 0.000) 6.755 5.268 ( -0.000 -5.246 0.000) 5.246 5.300 ( -0.000 -4.449 0.000) 4.449 5.310 ( -0.000 -6.555 0.000) 6.555 5.469 ( -0.000 -4.753 0.000) 4.753 5.501 ( -0.000 -3.076 0.000) 3.076 5.563 ( -0.000 -4.003 0.000) 4.003 5.575 ( -0.000 -4.745 0.000) 4.745 6.102 ( 0.000 0.308 -0.000) 0.308 6.139 ( 0.000 4.430 -0.000) 4.430 6.251 ( 0.000 5.927 -0.000) 5.927 6.261 ( 0.000 1.019 -0.000) 1.019 6.329 ( 0.000 3.923 -0.000) 3.923 6.470 ( 0.000 4.448 -0.000) 4.448 6.473 ( 0.000 2.785 -0.000) 2.785 6.777 ( 0.000 6.240 -0.000) 6.240 6.795 ( -0.000 -1.389 0.000) 1.389 6.908 ( -0.000 -0.972 0.000) 0.972 6.951 ( 0.000 0.020 -0.000) 0.020 7.082 ( -0.000 -0.783 0.000) 0.783 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 10.590 0.000 4.629) 11.558 0.524 ( 12.475 0.000 4.646) 13.312 0.795 ( -2.808 -0.000 -3.479) 4.471 0.854 ( -8.063 -0.000 -3.078) 8.630 0.866 ( -6.403 -0.000 -6.223) 8.929 0.929 ( -8.660 -0.000 -2.343) 8.971 0.973 ( 18.065 0.000 10.298) 20.794 1.218 ( -0.085 -0.000 2.523) 2.524 1.298 ( -0.258 -0.000 3.641) 3.650 1.381 ( 4.696 0.000 0.518) 4.724 1.408 ( -0.302 -0.000 -2.441) 2.460 1.447 ( -4.323 -0.000 2.070) 4.793 1.519 ( -1.678 -0.000 -1.878) 2.518 1.592 ( -3.880 -0.000 -1.392) 4.122 1.618 ( 1.170 0.000 0.930) 1.495 1.697 ( -0.485 -0.000 0.456) 0.666 1.860 ( 0.912 0.000 -4.010) 4.112 1.884 ( -2.424 -0.000 -1.155) 2.685 2.016 ( -0.582 -0.000 -1.180) 1.316 2.022 ( -1.032 -0.000 0.237) 1.059 2.181 ( 0.586 0.000 1.731) 1.828 2.208 ( -0.426 -0.000 1.551) 1.608 2.253 ( -0.519 -0.000 -1.285) 1.386 2.383 ( -1.112 -0.000 -2.481) 2.719 2.433 ( 0.591 0.000 -0.076) 0.596 2.601 ( 1.124 0.000 1.278) 1.702 2.650 ( -0.397 -0.000 -0.083) 0.405 2.652 ( 3.127 0.000 -0.155) 3.131 2.692 ( -1.226 -0.000 -0.765) 1.445 2.758 ( 2.120 0.000 0.163) 2.127 3.013 ( -1.611 -0.000 0.132) 1.616 3.034 ( 0.305 0.000 -1.207) 1.245 3.072 ( -1.628 -0.000 2.119) 2.672 3.107 ( -0.583 -0.000 0.237) 0.630 3.423 ( 0.388 0.000 0.309) 0.496 3.470 ( -1.675 -0.000 1.134) 2.023 3.836 ( 3.067 0.000 1.116) 3.263 3.890 ( 0.208 0.000 0.692) 0.723 4.030 ( 1.310 0.000 2.052) 2.435 4.074 ( -0.772 -0.000 -0.329) 0.839 4.297 ( -0.284 -0.000 0.197) 0.346 4.336 ( 0.587 0.000 -0.309) 0.663 4.370 ( -0.485 -0.000 -1.852) 1.914 4.427 ( 0.178 0.000 -0.314) 0.360 4.453 ( -1.596 -0.000 0.186) 1.607 4.586 ( 0.099 0.000 -2.431) 2.433 4.681 ( -0.751 -0.000 0.538) 0.924 4.690 ( -1.558 -0.000 0.414) 1.613 4.822 ( -2.971 -0.000 -0.782) 3.072 4.845 ( -2.135 -0.000 2.958) 3.648 4.862 ( 1.655 0.000 -1.904) 2.523 4.947 ( -2.812 -0.000 2.215) 3.580 5.066 ( 0.577 0.000 1.021) 1.172 5.155 ( 0.627 0.000 0.552) 0.836 5.166 ( -0.801 -0.000 0.097) 0.807 5.184 ( 0.046 0.000 -0.168) 0.174 5.819 ( -0.086 -0.000 -0.068) 0.110 5.905 ( 0.186 0.000 0.069) 0.198 5.934 ( 0.195 0.000 0.461) 0.501 5.949 ( 0.438 0.000 0.176) 0.472 5.955 ( -0.102 -0.000 -0.266) 0.285 5.958 ( -0.523 -0.000 -0.360) 0.635 5.973 ( -0.564 -0.000 -0.249) 0.617 6.050 ( 0.336 0.000 0.038) 0.338 6.057 ( 0.196 0.000 0.083) 0.213 6.288 ( 1.835 0.000 -4.590) 4.943 6.476 ( 1.869 0.000 0.199) 1.879 6.713 ( 3.757 0.000 -2.259) 4.383 6.837 ( -4.608 -0.000 0.208) 4.612 6.903 ( -3.309 -0.000 -1.187) 3.516 7.016 ( 2.436 0.000 3.242) 4.055 7.125 ( -0.011 -0.000 -3.140) 3.140 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 8.222 -7.635 4.323) 12.025 0.812 ( 0.076 -11.009 0.309) 11.013 0.855 ( -3.468 -5.030 -3.533) 7.058 0.877 ( 1.453 -11.699 -0.133) 11.789 1.013 ( -1.768 -19.471 -2.241) 19.679 1.055 ( -6.467 -14.888 -1.897) 16.343 1.123 ( 10.577 -6.842 5.500) 13.746 1.279 ( -0.205 -1.477 2.064) 2.546 1.347 ( 0.535 -5.497 1.988) 5.870 1.405 ( -2.037 -2.688 0.446) 3.402 1.441 ( -0.172 -0.390 -2.522) 2.557 1.474 ( 1.867 -8.505 1.278) 8.801 1.574 ( -2.919 -3.782 -0.599) 4.815 1.653 ( -3.578 -4.282 -1.060) 5.680 1.734 ( 2.561 -16.239 0.790) 16.459 1.840 ( 0.558 -7.352 -0.752) 7.411 1.869 ( -1.000 -7.938 -1.923) 8.228 1.958 ( -1.345 -4.895 -1.005) 5.175 1.964 ( 0.134 -0.375 -1.191) 1.256 2.011 ( -1.954 -0.626 0.102) 2.054 2.245 ( 0.050 -3.534 0.972) 3.666 2.251 ( 1.456 -4.722 1.521) 5.170 2.311 ( 0.661 -6.172 -0.171) 6.210 2.421 ( -0.853 -5.941 -1.032) 6.090 2.513 ( -0.118 -6.231 -0.805) 6.284 2.631 ( 0.745 -0.277 0.935) 1.227 2.641 ( 1.805 -2.514 -0.845) 3.209 2.692 ( -2.276 -2.286 -0.362) 3.246 2.719 ( 2.480 -4.799 0.671) 5.443 2.808 ( 0.718 -4.783 0.109) 4.837 2.980 ( -1.188 1.768 0.342) 2.157 3.006 ( -0.487 2.138 -0.853) 2.353 3.099 ( -1.057 -2.861 1.211) 3.281 3.142 ( -0.062 -3.488 -0.177) 3.493 3.398 ( 0.831 2.736 0.279) 2.873 3.436 ( -1.774 2.888 0.676) 3.456 3.855 ( 2.719 -0.062 1.020) 2.904 3.891 ( -0.291 -0.036 0.441) 0.529 3.993 ( -0.268 4.798 -0.490) 4.830 4.015 ( 0.530 2.018 0.993) 2.311 4.302 ( 0.263 -0.213 0.556) 0.651 4.328 ( 0.437 0.014 -0.278) 0.518 4.357 ( -1.000 0.381 -1.463) 1.813 4.450 ( -0.203 -2.248 -0.358) 2.285 4.472 ( -0.100 -1.694 0.463) 1.759 4.555 ( 0.928 1.833 0.248) 2.069 4.667 ( -1.077 1.202 0.543) 1.703 4.685 ( -0.715 0.036 -0.234) 0.753 4.738 ( -1.854 4.141 -0.905) 4.626 4.858 ( -0.572 -0.844 1.166) 1.549 4.868 ( 0.209 -0.111 -0.133) 0.271 5.102 ( -0.383 -8.192 -0.126) 8.202 5.174 ( 0.210 -8.787 0.469) 8.802 5.230 ( -0.061 -14.291 -0.342) 14.295 5.318 ( 1.103 -15.078 0.948) 15.148 5.376 ( -2.322 -16.626 -0.751) 16.805 5.768 ( -0.760 5.382 -0.072) 5.436 5.836 ( 0.067 6.916 0.092) 6.916 5.854 ( -0.093 7.525 0.025) 7.525 5.890 ( -0.026 6.306 0.240) 6.311 5.908 ( 0.136 3.824 0.595) 3.873 5.919 ( -0.554 3.610 0.261) 3.661 5.934 ( -0.389 3.049 -0.968) 3.223 5.995 ( 0.035 4.709 -0.204) 4.714 6.112 ( 0.030 -2.534 0.244) 2.546 6.280 ( 1.014 0.359 -2.647) 2.857 6.487 ( 1.549 -0.133 0.433) 1.614 6.757 ( 3.556 -2.883 -2.585) 5.258 6.827 ( -2.873 -0.728 1.074) 3.152 6.886 ( -3.807 -0.652 -1.086) 4.013 7.011 ( 2.606 5.202 1.433) 5.992 7.052 ( 2.086 1.556 0.933) 2.765 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 4.774 -10.167 3.374) 11.728 0.939 ( -4.265 -9.084 -3.095) 10.502 0.966 ( -1.585 -8.528 -1.649) 8.830 1.148 ( 7.891 -7.726 4.963) 12.107 1.260 ( -4.013 -9.226 -2.643) 10.402 1.315 ( 1.138 -3.350 1.690) 3.921 1.358 ( -0.868 -7.221 -1.114) 7.357 1.402 ( -1.503 -17.026 -0.624) 17.104 1.481 ( 0.625 -4.888 0.066) 4.928 1.496 ( 1.299 -13.587 -0.442) 13.656 1.566 ( -1.141 -12.349 1.295) 12.469 1.601 ( -1.050 -3.658 0.049) 3.806 1.698 ( -0.472 -2.689 -0.974) 2.898 1.732 ( -0.524 -12.840 0.193) 12.852 1.825 ( -0.365 -0.799 -1.175) 1.467 1.971 ( 0.841 1.205 0.248) 1.491 1.993 ( 0.704 -3.041 -0.934) 3.258 2.033 ( -1.048 -3.765 0.143) 3.911 2.164 ( 1.564 -14.376 1.266) 14.516 2.235 ( -2.400 -23.816 -1.232) 23.969 2.302 ( 0.153 -0.660 0.428) 0.801 2.364 ( 0.306 -3.921 0.458) 3.960 2.430 ( 1.257 -4.220 0.122) 4.405 2.587 ( 1.334 -9.891 -0.577) 9.998 2.618 ( -1.240 -5.335 0.267) 5.483 2.687 ( -0.072 -6.266 -0.306) 6.274 2.737 ( 0.828 -6.067 0.234) 6.127 2.799 ( -1.648 -10.366 -0.568) 10.512 2.890 ( 2.303 -10.390 1.407) 10.734 2.966 ( -0.130 -2.882 -0.021) 2.885 2.969 ( -0.725 -10.145 -0.576) 10.187 2.992 ( -0.690 -5.247 -0.405) 5.308 3.177 ( -0.298 -5.601 0.349) 5.620 3.240 ( 0.203 -6.761 -0.114) 6.765 3.349 ( 1.103 1.886 0.523) 2.246 3.366 ( -1.728 2.225 -0.037) 2.818 3.868 ( 1.393 0.207 0.602) 1.532 3.899 ( -0.185 -0.966 0.154) 0.996 3.943 ( -0.281 -0.279 -0.536) 0.667 3.999 ( -0.205 -0.148 0.125) 0.282 4.306 ( 0.707 0.225 0.215) 0.773 4.332 ( -1.236 0.322 -0.754) 1.484 4.341 ( 0.170 -0.295 0.063) 0.347 4.494 ( 0.561 0.677 0.328) 0.938 4.504 ( 0.091 -3.377 -0.043) 3.379 4.549 ( 0.864 -1.222 0.443) 1.561 4.635 ( -0.669 1.899 1.125) 2.306 4.653 ( -1.099 2.928 -1.718) 3.568 4.680 ( -0.063 0.730 0.026) 0.733 4.865 ( -0.063 0.321 0.134) 0.353 4.882 ( 0.087 -1.640 0.122) 1.647 5.111 ( -0.041 1.616 0.012) 1.617 5.503 ( -0.243 -15.858 -0.047) 15.859 5.587 ( 0.401 -18.374 -0.133) 18.379 5.620 ( 0.021 6.580 -0.123) 6.581 5.644 ( 0.384 -0.783 0.822) 1.198 5.654 ( -0.103 -4.402 -0.320) 4.414 5.680 ( -0.130 9.489 -0.130) 9.491 5.719 ( -0.187 -6.349 0.009) 6.352 5.734 ( 0.159 7.050 0.057) 7.052 5.805 ( -1.144 4.072 -0.211) 4.235 5.844 ( 1.148 0.855 0.777) 1.629 5.873 ( -1.714 0.785 -0.760) 2.033 5.882 ( -0.284 3.912 0.107) 3.924 6.147 ( -0.212 -1.588 0.270) 1.625 6.270 ( 0.288 0.314 -1.159) 1.235 6.497 ( 0.862 -0.089 0.466) 0.984 6.812 ( -0.830 -0.787 -0.944) 1.483 6.836 ( 2.980 -1.255 -0.357) 3.253 6.904 ( -3.332 -3.644 0.017) 4.938 6.939 ( 1.791 3.050 0.583) 3.584 7.042 ( 0.621 1.742 0.825) 2.025 ======================= Grid point 33 (23/115) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.000 -8.993 0.000) 8.993 1.088 ( -0.000 -6.940 0.000) 6.940 1.133 ( -0.000 -8.965 0.000) 8.965 1.257 ( -0.000 -0.203 0.000) 0.203 1.330 ( -0.000 -2.058 0.000) 2.058 1.430 ( -0.000 -6.574 0.000) 6.574 1.457 ( -0.000 -4.651 0.000) 4.651 1.583 ( -0.000 -3.569 0.000) 3.569 1.596 ( -0.000 -6.712 0.000) 6.712 1.623 ( 0.000 1.408 -0.000) 1.408 1.730 ( -0.000 -10.361 0.000) 10.361 1.812 ( -0.000 -10.524 0.000) 10.524 1.822 ( -0.000 -6.895 0.000) 6.895 1.875 ( -0.000 -4.546 0.000) 4.546 1.945 ( -0.000 -8.203 0.000) 8.203 1.954 ( -0.000 -0.260 0.000) 0.260 2.059 ( -0.000 -0.152 0.000) 0.152 2.073 ( -0.000 -5.285 0.000) 5.285 2.266 ( 0.000 2.712 -0.000) 2.712 2.347 ( -0.000 -3.832 0.000) 3.832 2.369 ( 0.000 0.978 -0.000) 0.978 2.446 ( 0.000 0.644 -0.000) 0.644 2.597 ( -0.000 -6.980 0.000) 6.980 2.665 ( 0.000 0.154 -0.000) 0.154 2.758 ( -0.000 -5.838 0.000) 5.838 2.771 ( -0.000 -0.843 0.000) 0.843 2.941 ( -0.000 -16.770 0.000) 16.770 2.955 ( -0.000 -7.313 0.000) 7.313 3.060 ( -0.000 -5.289 0.000) 5.289 3.184 ( -0.000 -16.608 0.000) 16.608 3.200 ( -0.000 -12.090 0.000) 12.090 3.205 ( -0.000 -12.504 0.000) 12.504 3.315 ( -0.000 -9.265 0.000) 9.265 3.373 ( -0.000 -8.863 0.000) 8.863 3.410 ( -0.000 -8.146 0.000) 8.146 3.447 ( -0.000 -10.967 0.000) 10.967 3.869 ( 0.000 0.008 -0.000) 0.008 3.924 ( -0.000 -1.406 0.000) 1.406 3.984 ( -0.000 -3.444 0.000) 3.444 4.013 ( -0.000 -1.278 0.000) 1.278 4.306 ( 0.000 0.049 -0.000) 0.049 4.311 ( 0.000 0.805 -0.000) 0.805 4.360 ( -0.000 -1.155 0.000) 1.155 4.469 ( 0.000 1.470 -0.000) 1.470 4.565 ( -0.000 -1.750 0.000) 1.750 4.584 ( 0.000 0.093 -0.000) 0.093 4.599 ( 0.000 0.858 -0.000) 0.858 4.603 ( 0.000 0.329 -0.000) 0.329 4.670 ( 0.000 0.321 -0.000) 0.321 4.860 ( 0.000 0.137 -0.000) 0.137 4.921 ( -0.000 -2.359 0.000) 2.359 5.071 ( 0.000 2.486 -0.000) 2.486 5.402 ( 0.000 10.603 -0.000) 10.603 5.444 ( 0.000 11.049 -0.000) 11.049 5.466 ( 0.000 11.321 -0.000) 11.321 5.501 ( 0.000 11.254 -0.000) 11.254 5.605 ( 0.000 8.683 -0.000) 8.683 5.630 ( 0.000 7.178 -0.000) 7.178 5.637 ( 0.000 4.741 -0.000) 4.741 5.687 ( 0.000 8.166 -0.000) 8.166 5.960 ( -0.000 -12.965 0.000) 12.965 5.996 ( -0.000 -14.308 0.000) 14.308 6.068 ( -0.000 -7.458 0.000) 7.458 6.079 ( -0.000 -15.638 0.000) 15.638 6.249 ( -0.000 -11.917 0.000) 11.917 6.266 ( -0.000 -0.122 0.000) 0.122 6.504 ( -0.000 -0.304 0.000) 0.304 6.797 ( 0.000 1.190 -0.000) 1.190 6.879 ( -0.000 -1.532 0.000) 1.532 6.913 ( -0.000 -0.079 0.000) 0.079 6.969 ( -0.000 -1.419 0.000) 1.419 6.996 ( 0.000 1.231 -0.000) 1.231 ======================= Grid point 41 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 8.094 0.000 3.590) 8.855 0.673 ( 10.777 0.000 3.757) 11.413 0.740 ( -5.538 -0.000 -3.360) 6.478 0.771 ( -2.707 -0.000 -0.967) 2.875 0.788 ( -2.719 -0.000 -2.760) 3.875 0.817 ( -9.239 -0.000 -2.832) 9.664 1.173 ( 9.624 0.000 4.905) 10.802 1.227 ( -0.126 -0.000 0.879) 0.888 1.330 ( 1.274 0.000 4.381) 4.562 1.383 ( -0.707 -0.000 -3.854) 3.918 1.397 ( -4.565 -0.000 0.342) 4.578 1.435 ( 3.530 0.000 -0.047) 3.530 1.473 ( -2.853 -0.000 -1.164) 3.082 1.545 ( -3.347 -0.000 -0.809) 3.443 1.655 ( 2.505 0.000 1.116) 2.743 1.694 ( -0.239 -0.000 0.090) 0.256 1.842 ( -0.143 -0.000 -1.940) 1.945 1.847 ( -2.222 -0.000 -1.106) 2.482 2.012 ( 0.204 0.000 -0.275) 0.342 2.020 ( -0.124 -0.000 0.435) 0.452 2.204 ( 1.750 0.000 1.507) 2.309 2.210 ( -0.201 -0.000 0.461) 0.503 2.232 ( -1.636 -0.000 -1.402) 2.155 2.364 ( -0.377 -0.000 -0.904) 0.979 2.438 ( 0.323 0.000 -0.005) 0.323 2.627 ( 2.106 0.000 0.948) 2.310 2.646 ( -0.662 -0.000 0.473) 0.814 2.670 ( -1.445 -0.000 -1.303) 1.946 2.674 ( 1.158 0.000 -0.097) 1.162 2.777 ( 1.073 0.000 0.162) 1.085 3.000 ( -0.828 -0.000 0.134) 0.838 3.030 ( 0.154 0.000 -0.693) 0.710 3.065 ( -1.091 -0.000 0.870) 1.395 3.102 ( -0.341 -0.000 -0.045) 0.344 3.430 ( 0.537 0.000 0.225) 0.582 3.461 ( -0.953 -0.000 0.357) 1.018 3.870 ( 2.213 0.000 0.634) 2.302 3.890 ( -0.830 -0.000 0.191) 0.851 4.054 ( 1.235 0.000 0.985) 1.579 4.067 ( -0.657 -0.000 -0.035) 0.658 4.299 ( 0.223 0.000 0.310) 0.381 4.339 ( 0.239 0.000 -0.471) 0.528 4.350 ( -0.943 -0.000 -0.772) 1.219 4.420 ( -0.463 -0.000 -0.505) 0.685 4.446 ( -0.258 -0.000 0.160) 0.304 4.579 ( 0.126 0.000 -0.531) 0.545 4.677 ( -0.266 -0.000 0.133) 0.297 4.683 ( -0.447 -0.000 0.407) 0.605 4.791 ( -1.478 -0.000 -0.596) 1.594 4.842 ( -0.743 -0.000 1.024) 1.265 4.867 ( 0.735 0.000 -0.735) 1.040 4.935 ( -1.015 -0.000 0.666) 1.214 5.076 ( 0.324 0.000 0.332) 0.464 5.159 ( -0.406 -0.000 0.012) 0.406 5.167 ( 0.673 0.000 0.594) 0.898 5.180 ( -0.275 -0.000 -0.391) 0.479 5.818 ( -0.034 -0.000 -0.027) 0.044 5.906 ( 0.084 0.000 0.025) 0.088 5.938 ( 0.119 0.000 0.394) 0.412 5.950 ( -0.097 -0.000 -0.601) 0.609 5.954 ( -0.195 -0.000 0.135) 0.238 5.955 ( 0.382 0.000 0.154) 0.412 5.966 ( -0.427 -0.000 -0.182) 0.465 6.053 ( 0.129 0.000 0.018) 0.130 6.059 ( 0.076 0.000 0.030) 0.082 6.281 ( 0.514 0.000 -1.458) 1.546 6.493 ( 0.924 0.000 0.172) 0.940 6.738 ( 3.108 0.000 -1.944) 3.666 6.797 ( -3.503 -0.000 1.313) 3.740 6.870 ( -1.438 -0.000 -0.736) 1.616 7.059 ( 1.796 0.000 2.792) 3.320 7.101 ( -0.944 -0.000 -2.592) 2.758 ======================= Grid point 42 (25/115) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.000 -6.592 0.000) 6.592 0.757 ( -0.000 -6.291 0.000) 6.291 0.824 ( -0.000 -4.963 0.000) 4.963 0.955 ( -0.000 -17.067 0.000) 17.067 0.965 ( -0.000 -16.265 0.000) 16.265 0.999 ( -0.000 -20.709 0.000) 20.709 1.207 ( -0.000 -2.657 0.000) 2.657 1.287 ( -0.000 -2.258 0.000) 2.258 1.365 ( -0.000 -2.130 0.000) 2.130 1.379 ( -0.000 -4.978 0.000) 4.978 1.428 ( -0.000 -2.079 0.000) 2.079 1.494 ( -0.000 -8.042 0.000) 8.042 1.556 ( -0.000 -4.517 0.000) 4.517 1.628 ( -0.000 -4.527 0.000) 4.527 1.751 ( -0.000 -14.668 0.000) 14.668 1.847 ( -0.000 -2.155 0.000) 2.155 1.853 ( -0.000 -14.524 0.000) 14.524 1.938 ( -0.000 -8.132 0.000) 8.132 1.964 ( 0.000 1.781 -0.000) 1.781 2.005 ( 0.000 1.376 -0.000) 1.376 2.247 ( -0.000 -3.610 0.000) 3.610 2.265 ( -0.000 -4.692 0.000) 4.692 2.314 ( -0.000 -7.343 0.000) 7.343 2.414 ( -0.000 -5.906 0.000) 5.906 2.510 ( -0.000 -6.158 0.000) 6.158 2.638 ( -0.000 -0.169 0.000) 0.169 2.661 ( -0.000 -1.765 0.000) 1.765 2.666 ( -0.000 -2.789 0.000) 2.789 2.735 ( -0.000 -5.349 0.000) 5.349 2.813 ( -0.000 -4.253 0.000) 4.253 2.975 ( 0.000 1.701 -0.000) 1.701 3.000 ( 0.000 2.275 -0.000) 2.275 3.097 ( -0.000 -2.986 0.000) 2.986 3.141 ( -0.000 -3.648 0.000) 3.648 3.406 ( 0.000 2.491 -0.000) 2.491 3.426 ( 0.000 3.211 -0.000) 3.211 3.881 ( 0.000 0.439 -0.000) 0.439 3.884 ( -0.000 -0.493 0.000) 0.493 3.990 ( 0.000 4.903 -0.000) 4.903 4.022 ( 0.000 2.588 -0.000) 2.588 4.309 ( -0.000 -0.340 0.000) 0.340 4.326 ( 0.000 0.187 -0.000) 0.187 4.345 ( 0.000 0.210 -0.000) 0.210 4.449 ( -0.000 -2.308 0.000) 2.308 4.472 ( -0.000 -2.182 0.000) 2.182 4.561 ( 0.000 1.442 -0.000) 1.442 4.665 ( 0.000 1.340 -0.000) 1.340 4.679 ( 0.000 0.131 -0.000) 0.131 4.725 ( 0.000 3.929 -0.000) 3.929 4.858 ( -0.000 -0.982 0.000) 0.982 4.869 ( -0.000 -0.068 0.000) 0.068 5.099 ( -0.000 -8.843 0.000) 8.843 5.177 ( -0.000 -7.298 0.000) 7.298 5.228 ( -0.000 -15.227 0.000) 15.227 5.331 ( -0.000 -15.099 0.000) 15.099 5.357 ( -0.000 -16.503 0.000) 16.503 5.764 ( 0.000 5.621 -0.000) 5.621 5.837 ( 0.000 6.912 -0.000) 6.912 5.854 ( 0.000 7.636 -0.000) 7.636 5.890 ( 0.000 6.294 -0.000) 6.294 5.910 ( 0.000 4.327 -0.000) 4.327 5.919 ( 0.000 2.491 -0.000) 2.491 5.927 ( 0.000 3.931 -0.000) 3.931 5.995 ( 0.000 4.690 -0.000) 4.690 6.113 ( -0.000 -2.452 0.000) 2.452 6.277 ( 0.000 0.350 -0.000) 0.350 6.498 ( -0.000 -0.176 0.000) 0.176 6.768 ( -0.000 -2.220 0.000) 2.220 6.820 ( -0.000 -3.013 0.000) 3.013 6.856 ( 0.000 0.873 -0.000) 0.873 7.029 ( 0.000 5.122 -0.000) 5.122 7.066 ( 0.000 0.530 -0.000) 0.530 ======================= Grid point 85 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( -0.020 -0.000 12.780) 12.780 0.293 ( 12.215 0.000 15.181) 19.485 0.544 ( -6.634 -0.000 26.089) 26.919 0.874 ( -2.260 -0.000 -6.354) 6.744 1.050 ( -2.847 -0.000 -6.601) 7.189 1.110 ( -1.859 -0.000 2.416) 3.048 1.135 ( -2.731 -0.000 0.848) 2.860 1.218 ( -2.434 -0.000 3.803) 4.515 1.329 ( -0.717 -0.000 -0.515) 0.883 1.339 ( -2.712 -0.000 9.287) 9.675 1.393 ( 0.520 0.000 1.390) 1.484 1.444 ( 1.628 0.000 -3.681) 4.025 1.477 ( -0.155 -0.000 3.124) 3.127 1.653 ( 1.082 0.000 -0.759) 1.321 1.662 ( 1.731 0.000 -0.953) 1.976 1.743 ( -1.741 -0.000 1.408) 2.239 1.853 ( 3.140 0.000 -3.322) 4.571 1.876 ( -5.419 -0.000 3.565) 6.487 2.047 ( 0.452 0.000 -1.983) 2.034 2.060 ( -0.874 -0.000 -5.471) 5.540 2.177 ( 3.422 0.000 -1.675) 3.810 2.211 ( 3.532 0.000 3.275) 4.816 2.223 ( -0.203 -0.000 -0.701) 0.730 2.408 ( 1.162 0.000 -2.275) 2.555 2.437 ( -2.384 -0.000 -1.039) 2.600 2.534 ( 1.747 0.000 -2.502) 3.052 2.560 ( 4.507 0.000 3.128) 5.486 2.631 ( -0.394 -0.000 -0.457) 0.604 2.714 ( 0.126 0.000 -0.998) 1.006 2.734 ( -2.236 -0.000 2.432) 3.304 2.923 ( 5.851 0.000 -9.748) 11.370 3.012 ( 5.115 0.000 -4.116) 6.566 3.093 ( 0.197 0.000 1.443) 1.457 3.124 ( -4.136 -0.000 3.021) 5.122 3.332 ( 4.551 0.000 -6.993) 8.343 3.426 ( 4.951 0.000 -5.397) 7.324 3.806 ( -1.447 -0.000 3.352) 3.651 3.906 ( -0.955 -0.000 3.394) 3.526 3.958 ( 2.410 0.000 -1.707) 2.953 4.027 ( 2.665 0.000 0.308) 2.683 4.340 ( 0.103 0.000 -1.604) 1.607 4.342 ( -0.354 -0.000 1.156) 1.209 4.377 ( -3.485 -0.000 2.717) 4.419 4.393 ( -3.294 -0.000 5.244) 6.193 4.430 ( 5.802 0.000 1.823) 6.081 4.532 ( -1.708 -0.000 1.559) 2.312 4.694 ( 1.580 0.000 -2.581) 3.026 4.765 ( 2.965 0.000 -5.104) 5.903 4.780 ( -2.651 -0.000 2.705) 3.787 4.880 ( -0.038 -0.000 2.538) 2.539 4.916 ( 0.076 0.000 2.518) 2.519 5.033 ( -1.290 -0.000 0.065) 1.292 5.129 ( 1.211 0.000 -2.089) 2.415 5.137 ( 0.719 0.000 -3.616) 3.687 5.210 ( -1.245 -0.000 1.705) 2.111 5.266 ( 5.662 0.000 -0.117) 5.664 5.827 ( -0.404 -0.000 0.496) 0.639 5.877 ( 0.903 0.000 -0.739) 1.167 5.934 ( -0.246 -0.000 0.639) 0.685 5.940 ( 0.118 0.000 0.034) 0.123 5.958 ( 0.104 0.000 0.039) 0.111 5.984 ( -0.090 -0.000 -0.301) 0.314 5.998 ( -0.425 -0.000 1.001) 1.088 6.046 ( 0.410 0.000 -0.401) 0.574 6.080 ( -2.133 -0.000 4.119) 4.638 6.258 ( -20.707 -0.000 3.580) 21.014 6.407 ( 1.879 0.000 -3.316) 3.812 6.615 ( 2.079 0.000 -5.300) 5.693 6.785 ( 15.378 0.000 1.326) 15.435 6.919 ( -1.080 -0.000 -1.766) 2.070 6.941 ( 2.608 0.000 1.544) 3.031 6.999 ( -1.511 -0.000 0.802) 1.710 ======================= Grid point 86 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 7.791 -9.342 11.553) 16.776 0.600 ( -0.060 -10.151 16.457) 19.336 0.785 ( 2.375 -23.937 9.760) 25.959 1.000 ( -4.294 -7.066 -6.770) 10.686 1.063 ( -1.201 -12.385 -5.825) 13.739 1.143 ( -8.663 -4.663 4.404) 10.779 1.246 ( -4.262 -10.415 0.971) 11.295 1.295 ( 0.411 -2.388 0.216) 2.432 1.367 ( 2.068 -8.804 1.802) 9.221 1.391 ( -3.407 -5.981 3.001) 7.509 1.431 ( 0.986 -1.563 0.525) 1.921 1.449 ( 1.037 -4.118 2.845) 5.112 1.630 ( 0.760 -3.506 -1.996) 4.105 1.667 ( 1.315 -11.242 1.421) 11.408 1.821 ( -2.316 -12.533 -0.216) 12.747 1.856 ( -1.561 -2.051 1.839) 3.166 1.873 ( -2.825 -8.855 0.402) 9.303 1.943 ( 0.861 -4.947 -1.566) 5.260 2.002 ( -1.971 -0.359 -1.717) 2.639 2.078 ( -0.941 -6.527 -2.894) 7.202 2.192 ( 3.184 -0.736 -0.888) 3.387 2.243 ( 0.412 -2.984 2.769) 4.092 2.264 ( 0.793 -3.949 0.112) 4.030 2.479 ( -1.771 -7.430 -1.444) 7.774 2.491 ( 0.800 -2.980 -3.670) 4.794 2.561 ( 2.994 -2.658 -1.118) 4.157 2.609 ( 2.424 -3.152 1.990) 4.446 2.640 ( -0.869 -2.457 -0.475) 2.650 2.745 ( -0.834 -4.198 -0.386) 4.297 2.789 ( -0.221 -6.438 0.600) 6.470 2.923 ( 5.095 0.120 -7.833) 9.345 3.021 ( 1.713 1.535 -1.189) 2.589 3.092 ( -0.225 -1.318 1.606) 2.090 3.122 ( 1.008 -1.624 0.010) 1.911 3.312 ( 4.088 2.050 -6.294) 7.780 3.413 ( 3.925 2.217 -5.310) 6.965 3.813 ( -0.664 -0.061 3.643) 3.704 3.912 ( -1.017 -0.051 3.357) 3.508 3.954 ( 0.970 0.485 -1.637) 1.964 4.022 ( -0.091 0.445 0.214) 0.502 4.326 ( -0.885 0.095 -0.238) 0.921 4.354 ( 0.371 -0.141 -0.551) 0.679 4.367 ( -3.809 -0.171 2.961) 4.828 4.443 ( 2.787 0.376 2.193) 3.567 4.469 ( 0.552 -2.235 1.545) 2.772 4.533 ( -2.051 -0.630 1.642) 2.702 4.687 ( 0.696 0.617 -1.193) 1.513 4.741 ( -0.942 1.234 0.602) 1.665 4.793 ( 0.243 -0.053 -1.563) 1.583 4.850 ( -1.245 3.170 1.126) 3.587 4.896 ( 0.028 2.243 1.988) 2.997 5.087 ( 1.829 -1.488 -2.827) 3.682 5.182 ( -0.618 -14.607 2.507) 14.834 5.241 ( -0.618 -12.698 0.144) 12.714 5.313 ( -0.516 -13.244 0.977) 13.290 5.462 ( -0.428 -11.762 -3.330) 12.231 5.812 ( -0.848 5.328 -0.318) 5.404 5.823 ( 0.673 6.140 -0.181) 6.179 5.870 ( -0.451 6.878 0.531) 6.913 5.887 ( 0.364 5.892 0.412) 5.917 5.909 ( 0.031 4.242 0.749) 4.307 5.957 ( -1.010 2.112 -0.143) 2.346 5.989 ( -0.660 4.639 -0.838) 4.760 5.999 ( -0.477 1.732 -0.730) 1.939 6.145 ( -1.105 -5.355 -0.254) 5.474 6.236 ( -6.946 -2.558 5.130) 9.006 6.408 ( 2.508 -0.037 -2.973) 3.890 6.643 ( 2.965 -2.881 -5.176) 6.624 6.763 ( 9.151 5.235 4.174) 11.339 6.902 ( -1.222 0.419 -2.498) 2.812 6.967 ( 2.789 -0.396 1.996) 3.452 7.007 ( -2.486 -1.630 0.039) 2.973 ======================= Grid point 87 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 3.373 -12.087 8.716) 15.279 0.830 ( 5.526 -8.569 14.053) 17.362 1.062 ( -3.860 -6.716 -6.754) 10.277 1.156 ( -6.525 -8.436 2.883) 11.048 1.253 ( -0.686 -5.112 -0.897) 5.235 1.322 ( 0.079 -13.061 1.364) 13.132 1.408 ( -1.914 -7.029 2.528) 7.711 1.451 ( 0.646 -6.524 3.091) 7.248 1.478 ( -1.791 -16.402 -1.281) 16.549 1.497 ( -0.630 -7.096 -0.572) 7.146 1.603 ( -0.541 -6.239 0.970) 6.337 1.649 ( 0.331 -12.189 -0.193) 12.195 1.712 ( 0.140 -11.296 -0.010) 11.297 1.835 ( -4.364 -0.117 3.247) 5.441 1.879 ( 0.856 -2.276 -1.942) 3.112 1.886 ( -1.267 1.269 0.308) 1.820 2.016 ( -3.335 -5.221 -0.989) 6.274 2.060 ( -0.879 -8.860 -1.460) 9.023 2.148 ( -0.322 -11.039 1.894) 11.205 2.250 ( 3.652 -2.357 -0.841) 4.427 2.295 ( 0.673 -5.231 1.883) 5.600 2.347 ( 2.459 -3.752 -1.021) 4.601 2.372 ( -1.970 -16.039 -1.245) 16.208 2.502 ( 2.453 -0.154 -2.780) 3.710 2.663 ( -0.230 -11.438 -1.349) 11.519 2.689 ( 0.428 -8.975 0.054) 8.985 2.726 ( -0.247 -7.090 0.445) 7.108 2.767 ( 2.147 -13.275 1.275) 13.508 2.868 ( -0.499 -6.600 -2.350) 7.024 2.928 ( 2.411 -2.198 -2.137) 3.900 2.977 ( 1.010 -10.838 -1.748) 11.024 3.006 ( -0.385 -4.120 -1.377) 4.361 3.165 ( 1.428 -5.450 -1.331) 5.789 3.198 ( 1.432 -6.367 -1.150) 6.627 3.285 ( 2.695 -0.685 -3.894) 4.785 3.367 ( 2.293 1.673 -4.621) 5.423 3.828 ( 0.241 -0.412 3.846) 3.875 3.921 ( -0.738 -0.390 3.397) 3.498 3.955 ( -0.750 -1.352 -1.805) 2.377 4.019 ( -0.861 -0.493 -0.435) 1.083 4.329 ( -0.637 -0.603 0.514) 1.017 4.342 ( -1.604 0.482 -0.051) 1.676 4.364 ( -1.039 0.070 1.037) 1.470 4.440 ( 3.009 1.560 1.271) 3.620 4.513 ( -0.686 -1.523 3.436) 3.821 4.549 ( -1.803 -1.830 1.644) 3.050 4.673 ( 0.597 0.784 -0.894) 1.330 4.704 ( -1.980 2.249 2.355) 3.811 4.744 ( -3.657 3.325 1.919) 5.302 4.824 ( 2.258 -0.258 -3.082) 3.829 4.879 ( 0.371 0.203 -0.447) 0.616 5.078 ( 2.223 1.657 -3.414) 4.399 5.535 ( -1.416 -17.398 1.418) 17.513 5.576 ( -0.378 -14.600 0.722) 14.623 5.611 ( 1.413 -13.227 0.272) 13.305 5.631 ( -0.482 1.892 -0.148) 1.958 5.663 ( -0.363 9.508 0.012) 9.515 5.685 ( 0.123 4.953 -0.139) 4.956 5.717 ( 0.159 6.385 0.497) 6.407 5.725 ( 0.161 5.156 -0.200) 5.162 5.816 ( 0.727 4.050 0.771) 4.187 5.843 ( -0.265 8.251 -0.637) 8.280 5.946 ( -1.897 -2.725 -0.342) 3.338 5.965 ( -2.747 -1.688 0.671) 3.294 6.215 ( -3.229 -3.693 -1.099) 5.027 6.271 ( -3.245 -1.660 4.832) 6.053 6.419 ( 3.197 -0.417 -2.084) 3.839 6.705 ( 3.857 -2.960 -5.038) 7.001 6.751 ( 5.764 1.532 3.988) 7.175 6.879 ( -1.266 0.235 -3.324) 3.564 6.990 ( 2.496 0.341 2.415) 3.489 7.028 ( -2.803 -1.977 -0.894) 3.545 ======================= Grid point 88 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 1.064 -10.243 7.136) 12.529 1.052 ( 5.810 -6.762 8.255) 12.150 1.170 ( -1.868 -7.623 -5.633) 9.661 1.254 ( -6.246 -5.419 3.747) 9.079 1.316 ( 0.737 -2.932 -1.323) 3.300 1.446 ( 0.781 -3.236 0.050) 3.330 1.516 ( -2.236 -0.045 -0.543) 2.302 1.543 ( -1.930 -5.271 5.075) 7.568 1.644 ( -0.919 -5.267 0.502) 5.371 1.738 ( -0.417 -8.367 -0.447) 8.389 1.758 ( -0.956 -6.495 0.778) 6.611 1.793 ( -3.208 -3.727 -0.733) 4.972 1.841 ( 1.234 -4.149 0.036) 4.329 1.886 ( -1.121 -5.369 -1.691) 5.740 1.925 ( 0.333 -5.139 0.710) 5.199 1.973 ( -1.368 -9.048 2.540) 9.497 2.039 ( -0.767 -1.079 -0.211) 1.341 2.159 ( -3.414 -2.912 0.579) 4.524 2.236 ( 1.090 2.391 0.274) 2.642 2.322 ( 2.813 -0.424 0.749) 2.942 2.344 ( 1.612 -2.671 0.228) 3.128 2.372 ( 0.808 -0.961 0.271) 1.285 2.527 ( 4.770 -0.481 -5.441) 7.252 2.628 ( 2.147 -4.775 -3.678) 6.398 2.772 ( -0.701 -1.054 -0.374) 1.320 2.807 ( -2.071 -2.800 1.746) 3.896 2.939 ( -0.445 -9.410 -1.311) 9.511 2.986 ( 0.730 -9.658 -2.014) 9.893 3.016 ( 1.184 -9.581 -0.150) 9.655 3.122 ( 2.235 -17.464 -0.287) 17.608 3.183 ( 1.161 -11.784 -3.109) 12.242 3.207 ( 0.760 -12.496 -2.989) 12.871 3.312 ( -0.070 -10.226 0.158) 10.228 3.373 ( 0.707 -10.724 -0.441) 10.756 3.406 ( 1.777 -10.120 -1.233) 10.348 3.410 ( 0.323 -8.333 -2.885) 8.824 3.856 ( 0.388 -1.145 3.672) 3.866 3.942 ( -0.585 -1.013 3.428) 3.623 3.989 ( -0.616 -2.949 -1.917) 3.571 4.030 ( -0.920 -1.349 -0.901) 1.865 4.316 ( -2.158 0.549 0.555) 2.295 4.352 ( -0.074 -1.073 0.271) 1.109 4.360 ( -0.399 -0.022 0.676) 0.785 4.431 ( 2.158 0.971 0.591) 2.439 4.542 ( -0.292 -0.663 3.471) 3.546 4.593 ( -1.170 -2.570 1.514) 3.204 4.654 ( -0.897 1.234 1.310) 2.011 4.668 ( -1.850 1.563 2.980) 3.840 4.674 ( -2.556 1.877 1.027) 3.333 4.831 ( 2.014 -0.154 -2.800) 3.452 4.892 ( 1.360 -1.579 -2.409) 3.185 5.036 ( 2.179 2.608 -3.622) 4.966 5.423 ( -0.951 10.601 0.030) 10.644 5.448 ( -0.193 11.335 -0.026) 11.337 5.465 ( -0.160 11.470 0.666) 11.490 5.495 ( 0.249 11.558 -0.162) 11.562 5.622 ( 0.079 7.874 0.136) 7.875 5.630 ( 0.196 8.531 0.215) 8.536 5.652 ( -1.171 5.046 0.035) 5.180 5.680 ( 0.219 5.512 0.046) 5.516 5.964 ( 0.008 -14.623 1.360) 14.686 6.019 ( -0.651 -16.630 0.406) 16.648 6.066 ( -1.150 -6.493 1.058) 6.679 6.138 ( -1.716 -12.868 0.013) 12.982 6.286 ( -0.865 -3.506 -0.095) 3.612 6.300 ( -4.429 -5.223 4.002) 7.932 6.444 ( 3.081 -1.267 -1.471) 3.642 6.747 ( 3.872 -0.351 -4.686) 6.089 6.781 ( 3.509 -0.861 2.879) 4.620 6.876 ( -0.172 -1.908 -3.146) 3.684 6.988 ( 1.108 1.781 2.344) 3.145 7.045 ( -2.095 -1.467 -1.643) 3.040 ======================= Grid point 89 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -0.176 0.024 0.710) 0.732 1.196 ( -1.179 -4.289 6.475) 7.856 1.272 ( -0.183 -3.823 -2.104) 4.368 1.314 ( -2.173 -3.064 1.734) 4.137 1.378 ( -0.748 -1.536 1.305) 2.150 1.478 ( 0.204 -1.060 1.404) 1.771 1.496 ( 1.734 0.733 0.252) 1.899 1.605 ( -2.732 -1.204 4.734) 5.597 1.706 ( 0.186 -1.563 0.053) 1.575 1.767 ( -0.414 1.100 -3.002) 3.224 1.799 ( -3.725 -2.383 2.581) 5.120 1.874 ( 0.268 -2.343 -1.093) 2.599 1.919 ( 0.793 -2.412 0.352) 2.563 1.977 ( -0.478 -1.037 -0.299) 1.180 2.019 ( -0.542 -3.064 -0.206) 3.119 2.047 ( -2.008 -5.547 0.147) 5.901 2.135 ( -0.293 -2.853 1.238) 3.124 2.160 ( 0.493 1.021 2.683) 2.912 2.183 ( -0.602 2.613 -0.359) 2.705 2.334 ( 0.119 2.270 4.195) 4.772 2.343 ( 2.007 -2.340 -1.992) 3.671 2.442 ( -0.095 -1.884 -0.492) 1.950 2.524 ( 4.516 0.111 -6.131) 7.616 2.602 ( 2.371 3.874 -3.805) 5.925 2.785 ( -0.166 -0.725 -0.298) 0.801 2.837 ( -1.028 -1.004 1.311) 1.945 2.983 ( 0.637 -0.625 -4.460) 4.548 3.066 ( 3.130 -0.129 -2.634) 4.093 3.275 ( -1.364 -10.428 -0.098) 10.517 3.376 ( 1.101 -7.678 -2.058) 8.025 3.399 ( 1.097 -5.910 0.494) 6.031 3.410 ( 0.258 -6.876 -1.557) 7.055 3.490 ( -0.063 -6.189 0.700) 6.229 3.551 ( 0.407 -5.662 -0.542) 5.702 3.569 ( 0.030 -6.450 -2.225) 6.823 3.593 ( 1.806 -5.563 -0.736) 5.894 3.889 ( -0.587 -0.586 2.942) 3.057 3.967 ( -1.437 -0.568 2.650) 3.068 4.036 ( 0.610 -2.205 -1.325) 2.644 4.059 ( -0.304 -1.968 -0.537) 2.062 4.304 ( -1.384 -0.024 0.950) 1.679 4.357 ( -1.718 -0.439 0.792) 1.942 4.377 ( 0.522 -0.512 0.383) 0.825 4.429 ( 1.169 0.342 0.045) 1.219 4.557 ( -1.073 -0.457 3.439) 3.631 4.607 ( -3.080 2.224 4.492) 5.883 4.630 ( -0.755 -0.751 0.993) 1.456 4.650 ( -1.457 -0.232 2.291) 2.724 4.668 ( -0.038 -0.219 0.013) 0.222 4.835 ( 1.593 -0.054 -2.502) 2.966 4.932 ( 2.154 -2.392 -3.571) 4.808 4.982 ( 2.214 2.849 -3.838) 5.268 5.253 ( -0.987 5.473 0.150) 5.563 5.270 ( 0.123 5.573 0.358) 5.586 5.286 ( -0.072 5.745 -0.051) 5.745 5.317 ( 0.390 5.755 -0.228) 5.773 5.482 ( -0.066 4.706 0.212) 4.712 5.508 ( 0.648 3.441 -0.426) 3.528 5.542 ( -1.105 4.316 0.415) 4.474 5.576 ( -0.407 3.552 0.258) 3.585 6.117 ( -1.478 -1.058 2.253) 2.895 6.158 ( -1.299 -4.796 0.744) 5.024 6.240 ( -0.192 -4.455 2.542) 5.132 6.311 ( -1.124 -4.914 -0.607) 5.077 6.320 ( -1.958 -2.985 2.873) 4.582 6.423 ( 1.209 -2.747 -0.661) 3.073 6.503 ( 1.196 -3.562 -1.153) 3.930 6.735 ( 2.585 0.881 -4.283) 5.079 6.826 ( 1.474 -1.000 1.622) 2.409 6.922 ( 1.008 -2.550 -1.427) 3.091 6.949 ( -0.993 2.412 1.526) 3.022 7.051 ( -0.381 -0.527 -2.053) 2.153 ======================= Grid point 90 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -4.437 7.016 -0.314) 8.307 1.168 ( -4.545 6.453 3.828) 8.773 1.312 ( 0.639 -0.025 1.010) 1.195 1.358 ( -2.492 1.442 3.729) 4.712 1.363 ( 0.646 -0.706 0.436) 1.051 1.470 ( 0.310 2.162 -0.718) 2.299 1.545 ( 3.799 -1.402 1.767) 4.418 1.600 ( -3.917 1.877 3.900) 5.838 1.682 ( 3.578 3.628 -1.846) 5.420 1.766 ( -0.936 -1.488 2.228) 2.838 1.820 ( -2.855 -0.530 -0.278) 2.917 1.889 ( 0.380 0.422 -1.700) 1.792 1.900 ( -0.724 2.608 -0.606) 2.773 1.970 ( 1.088 2.517 1.701) 3.227 2.041 ( -0.086 4.643 0.167) 4.647 2.065 ( 0.737 1.218 -0.097) 1.427 2.109 ( 1.750 4.356 1.430) 4.907 2.150 ( -2.270 -3.241 0.509) 3.989 2.210 ( -2.715 -1.422 1.078) 3.249 2.309 ( 1.025 1.535 4.118) 4.513 2.377 ( -0.763 -0.802 -0.582) 1.250 2.409 ( -1.076 3.184 -2.037) 3.930 2.555 ( 2.111 -1.756 -4.661) 5.410 2.575 ( 3.383 -1.662 -4.819) 6.118 2.788 ( 0.961 0.594 -0.173) 1.143 2.842 ( -0.918 0.347 1.288) 1.620 2.975 ( 1.922 0.711 -4.682) 5.111 3.069 ( 2.020 0.271 -2.641) 3.336 3.296 ( 0.478 8.836 0.799) 8.885 3.356 ( -1.393 8.667 -1.455) 8.898 3.381 ( 1.173 7.435 -1.834) 7.747 3.418 ( 0.848 6.080 -0.742) 6.183 3.490 ( 0.036 6.585 0.479) 6.603 3.550 ( 1.170 5.843 -0.796) 6.011 3.573 ( -0.129 6.279 -1.417) 6.438 3.586 ( 1.541 6.048 -1.133) 6.344 3.873 ( -1.805 2.100 2.189) 3.530 3.953 ( -2.614 1.459 2.204) 3.718 4.058 ( 1.507 0.478 -0.747) 1.749 4.077 ( 0.518 0.530 0.275) 0.790 4.309 ( -0.554 -0.703 0.864) 1.244 4.358 ( -1.916 -0.136 0.906) 2.124 4.373 ( -0.139 0.785 0.610) 1.004 4.420 ( 0.165 1.065 -0.287) 1.115 4.561 ( -3.368 0.646 3.489) 4.892 4.596 ( -0.419 -1.060 3.488) 3.670 4.629 ( -0.603 0.549 1.307) 1.540 4.656 ( -1.957 -0.418 2.513) 3.213 4.673 ( -0.282 -0.450 0.410) 0.671 4.831 ( 1.629 0.419 -2.711) 3.191 4.931 ( 1.992 2.301 -3.436) 4.590 4.984 ( 2.332 -2.841 -3.838) 5.314 5.250 ( -0.083 -5.760 0.125) 5.762 5.275 ( -0.620 -6.008 0.518) 6.062 5.283 ( 0.885 -5.038 -0.180) 5.119 5.318 ( -0.250 -5.939 -0.210) 5.948 5.477 ( -0.102 -4.293 0.105) 4.295 5.499 ( -0.227 -3.004 -0.560) 3.064 5.548 ( 0.772 -4.498 0.535) 4.595 5.581 ( -0.009 -3.998 0.367) 4.015 6.120 ( -1.214 0.993 1.784) 2.375 6.160 ( -1.089 4.368 1.345) 4.699 6.243 ( 0.540 4.935 3.204) 5.909 6.309 ( -0.755 3.990 -0.195) 4.066 6.329 ( -1.469 3.306 1.851) 4.063 6.415 ( 1.652 2.643 -1.105) 3.307 6.499 ( -0.071 3.581 -0.913) 3.696 6.744 ( 2.674 -0.855 -3.768) 4.699 6.806 ( -2.126 3.280 0.496) 3.940 6.922 ( -0.939 -0.441 0.661) 1.230 6.958 ( -0.427 -0.610 -0.439) 0.864 7.053 ( 2.110 0.043 -1.540) 2.613 ======================= Grid point 91 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -4.966 11.357 0.693) 12.414 0.979 ( -6.813 10.973 6.166) 14.312 1.266 ( -1.190 4.414 -0.506) 4.600 1.323 ( -0.417 3.613 6.097) 7.100 1.337 ( 4.650 4.437 1.402) 6.579 1.431 ( -2.328 0.972 -2.321) 3.428 1.488 ( -3.272 6.619 2.979) 7.962 1.549 ( -0.873 4.035 1.854) 4.526 1.635 ( 3.284 3.417 -2.051) 5.164 1.733 ( 1.316 7.444 0.817) 7.604 1.748 ( -0.787 8.177 -1.352) 8.325 1.832 ( 1.386 7.127 -1.499) 7.413 1.866 ( -0.242 1.335 2.399) 2.756 1.913 ( 0.470 7.257 -1.857) 7.505 1.934 ( -2.697 0.046 3.242) 4.217 1.960 ( 1.107 7.162 0.415) 7.259 2.086 ( 0.743 -0.329 1.664) 1.852 2.159 ( -1.035 1.982 0.630) 2.323 2.223 ( -1.351 0.071 2.422) 2.774 2.290 ( -0.308 2.562 0.692) 2.672 2.310 ( 0.446 4.239 -1.878) 4.657 2.407 ( -4.124 -1.491 1.637) 4.681 2.544 ( 0.569 2.097 -5.508) 5.921 2.603 ( 3.879 1.806 -4.961) 6.551 2.767 ( 2.218 3.058 -0.149) 3.780 2.823 ( -1.275 1.961 1.674) 2.877 2.924 ( 2.558 5.426 -3.190) 6.794 3.007 ( 2.204 17.964 1.467) 18.158 3.012 ( -1.165 9.527 -1.503) 9.714 3.092 ( -2.403 14.082 -1.515) 14.365 3.171 ( 3.464 11.123 -4.019) 12.324 3.237 ( 1.484 11.570 -1.732) 11.792 3.293 ( 0.442 11.291 -0.478) 11.310 3.372 ( 0.500 11.466 -0.463) 11.486 3.382 ( 1.412 10.156 -1.614) 10.380 3.423 ( 1.714 8.907 -2.156) 9.323 3.829 ( -2.424 1.538 2.258) 3.652 3.919 ( -2.334 1.079 2.375) 3.500 4.033 ( 0.827 2.077 -0.857) 2.395 4.050 ( 0.609 2.189 0.759) 2.396 4.329 ( -0.092 -1.231 0.319) 1.275 4.343 ( -0.217 0.746 0.608) 0.987 4.377 ( -1.543 -0.909 1.551) 2.369 4.396 ( -0.565 0.985 -0.632) 1.299 4.531 ( -3.097 1.496 3.030) 4.584 4.600 ( -0.805 2.225 1.928) 3.052 4.635 ( 0.276 -1.786 1.258) 2.202 4.668 ( -0.311 -0.962 1.230) 1.593 4.708 ( -1.968 -3.038 3.105) 4.769 4.824 ( 1.895 0.290 -3.142) 3.681 4.890 ( 1.464 1.839 -2.294) 3.284 5.036 ( 2.221 -2.430 -3.750) 4.990 5.428 ( 0.480 -11.033 0.130) 11.044 5.447 ( 0.563 -10.626 -0.192) 10.643 5.459 ( -0.523 -11.779 0.672) 11.809 5.496 ( -0.068 -11.279 -0.117) 11.280 5.610 ( 0.629 -7.933 -0.095) 7.959 5.625 ( -0.209 -8.928 -0.161) 8.932 5.656 ( 0.084 -4.552 0.342) 4.566 5.690 ( -0.320 -5.654 0.338) 5.673 5.949 ( -0.987 15.463 0.752) 15.512 6.029 ( -0.456 16.261 0.509) 16.275 6.071 ( -0.730 7.299 1.748) 7.541 6.136 ( 2.097 12.992 -0.282) 13.163 6.255 ( 0.843 3.894 2.410) 4.656 6.390 ( -0.271 0.089 0.905) 0.949 6.433 ( -1.598 1.739 0.469) 2.408 6.698 ( -3.276 3.610 -0.400) 4.891 6.763 ( 1.523 0.878 -4.464) 4.798 6.932 ( -0.630 -0.556 -0.017) 0.840 6.947 ( -0.795 0.771 -0.619) 1.269 7.059 ( 2.524 0.660 0.099) 2.611 ======================= Grid point 92 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -3.067 13.841 2.866) 14.463 0.742 ( -8.515 11.701 11.485) 18.475 1.155 ( -0.546 6.298 -1.065) 6.411 1.216 ( -2.564 11.757 2.086) 12.213 1.272 ( 3.274 5.622 1.373) 6.649 1.327 ( -0.023 9.058 4.902) 10.299 1.357 ( -4.266 6.696 1.967) 8.179 1.447 ( -0.987 3.529 0.598) 3.713 1.501 ( 0.507 12.804 -1.598) 12.913 1.518 ( 0.007 10.352 -0.191) 10.353 1.586 ( 0.093 7.697 0.493) 7.713 1.615 ( 3.048 14.867 -0.719) 15.193 1.700 ( 1.549 9.047 -0.854) 9.218 1.865 ( -1.621 0.211 3.709) 4.054 1.884 ( -0.166 5.274 -2.252) 5.737 1.957 ( -2.872 -0.953 -0.552) 3.076 2.082 ( 0.801 7.776 3.298) 8.484 2.087 ( -1.657 3.885 0.488) 4.252 2.134 ( 1.025 6.461 -1.967) 6.831 2.179 ( -0.589 4.777 1.096) 4.936 2.267 ( 1.509 8.490 1.750) 8.799 2.324 ( -2.250 2.615 -1.157) 3.639 2.401 ( 1.760 18.077 -1.233) 18.204 2.527 ( -0.781 -1.375 -2.892) 3.296 2.660 ( 2.368 8.231 -1.348) 8.670 2.690 ( -0.956 10.951 -0.831) 11.024 2.723 ( -1.292 10.602 1.617) 10.802 2.746 ( -0.313 8.483 0.043) 8.489 2.886 ( 2.024 4.694 -1.614) 5.361 2.917 ( 1.015 3.922 -1.925) 4.485 2.972 ( 2.019 10.126 -3.264) 10.829 3.012 ( 0.878 7.132 -0.817) 7.232 3.138 ( 1.649 5.897 -1.177) 6.236 3.197 ( 0.433 6.645 -1.677) 6.867 3.277 ( 2.919 0.259 -4.232) 5.147 3.354 ( 4.244 -0.751 -4.646) 6.337 3.808 ( -2.204 0.334 2.748) 3.538 3.904 ( -1.557 0.332 2.539) 2.997 3.996 ( -0.397 1.378 -1.328) 1.954 4.020 ( 0.633 1.355 1.106) 1.860 4.340 ( 0.859 0.055 1.022) 1.336 4.351 ( 0.139 -0.981 -0.054) 0.992 4.376 ( -0.485 0.539 -0.563) 0.918 4.391 ( -2.696 -0.990 2.025) 3.514 4.500 ( -2.342 1.282 3.108) 4.097 4.560 ( -0.989 1.802 2.114) 2.948 4.668 ( 0.936 -1.067 -0.900) 1.681 4.705 ( -0.337 -2.368 1.936) 3.077 4.769 ( -1.512 -3.096 2.642) 4.342 4.818 ( 1.937 0.276 -3.153) 3.711 4.868 ( 1.083 0.530 -0.608) 1.350 5.075 ( 2.220 -1.554 -3.655) 4.549 5.533 ( -0.731 18.851 1.656) 18.938 5.582 ( 0.531 11.873 0.154) 11.886 5.598 ( -1.189 14.742 0.103) 14.790 5.642 ( -0.410 -2.615 0.367) 2.672 5.658 ( 0.582 -9.205 0.002) 9.223 5.689 ( -0.177 -7.764 -0.328) 7.773 5.712 ( -0.357 -3.416 0.688) 3.503 5.726 ( 0.038 -5.720 -0.222) 5.725 5.799 ( 0.441 -3.792 -0.110) 3.819 5.849 ( 0.030 -8.009 -0.215) 8.012 5.946 ( 1.927 2.188 0.383) 2.940 5.967 ( 1.421 2.035 0.362) 2.508 6.210 ( 1.260 2.971 1.938) 3.765 6.397 ( -2.707 -0.911 0.897) 2.993 6.408 ( -4.695 -0.058 0.700) 4.747 6.634 ( -1.361 1.399 0.770) 2.098 6.720 ( 1.317 2.683 -5.203) 6.001 6.927 ( -0.228 0.440 -0.729) 0.882 6.938 ( 0.373 -0.032 -0.390) 0.540 7.048 ( 1.096 1.670 1.025) 2.246 ======================= Grid point 93 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 3.529 12.429 8.375) 15.397 0.543 ( -8.720 9.407 17.481) 21.683 0.742 ( -3.750 28.310 6.848) 29.367 1.071 ( -2.190 8.216 -5.033) 9.881 1.093 ( 1.449 9.090 -3.076) 9.705 1.191 ( -5.157 5.590 3.361) 8.315 1.246 ( 0.308 6.059 6.233) 8.698 1.290 ( 0.443 8.376 -0.357) 8.395 1.337 ( 2.389 6.243 1.385) 6.827 1.396 ( -2.233 8.010 5.304) 9.863 1.416 ( -0.127 3.016 1.222) 3.256 1.446 ( -0.334 0.797 -2.811) 2.941 1.631 ( 1.112 5.062 -1.625) 5.432 1.649 ( 0.727 9.919 0.500) 9.958 1.825 ( 1.127 14.117 -1.310) 14.223 1.857 ( -0.724 4.558 2.698) 5.346 1.915 ( -4.674 7.615 0.998) 8.991 1.942 ( -0.234 5.464 -0.233) 5.474 2.036 ( -1.798 1.298 -3.097) 3.809 2.101 ( -0.122 3.998 -2.224) 4.576 2.156 ( 3.150 1.078 0.618) 3.386 2.212 ( 1.629 3.182 3.661) 5.117 2.260 ( -0.055 3.370 -0.337) 3.387 2.490 ( 2.817 5.795 -4.003) 7.586 2.517 ( -2.521 4.422 -0.726) 5.142 2.556 ( -0.528 2.796 -1.758) 3.344 2.578 ( 0.477 4.266 2.022) 4.745 2.651 ( -0.802 2.359 -0.162) 2.497 2.757 ( -1.017 4.608 -0.110) 4.720 2.784 ( 0.132 5.938 0.914) 6.010 2.919 ( 4.980 -0.305 -7.885) 9.331 3.003 ( 3.663 -0.578 -2.695) 4.585 3.085 ( -0.879 0.051 2.322) 2.484 3.112 ( 0.787 2.082 -0.372) 2.257 3.308 ( 4.086 -2.035 -6.396) 7.858 3.399 ( 5.187 -1.960 -5.635) 7.906 3.806 ( -1.929 -0.123 3.172) 3.715 3.903 ( -1.107 0.052 2.912) 3.116 3.967 ( -1.198 0.674 -1.768) 2.240 4.013 ( 0.807 0.244 1.192) 1.459 4.345 ( -0.253 -0.018 0.401) 0.475 4.353 ( -1.706 0.014 -1.451) 2.240 4.384 ( 0.734 -0.390 2.265) 2.412 4.396 ( -0.737 -0.296 2.430) 2.557 4.464 ( -1.578 3.012 2.109) 4.001 4.539 ( -1.011 0.608 1.912) 2.247 4.685 ( 1.151 -0.655 -1.379) 1.912 4.745 ( -0.180 -1.344 0.169) 1.367 4.798 ( 0.854 0.207 -1.788) 1.992 4.847 ( -0.336 -3.047 2.198) 3.772 4.878 ( 0.972 -1.171 1.734) 2.307 5.086 ( 1.792 1.257 -2.970) 3.690 5.175 ( -1.024 14.376 2.423) 14.614 5.248 ( -1.017 13.267 0.510) 13.316 5.308 ( 0.391 13.059 0.773) 13.087 5.469 ( 3.117 12.124 -3.192) 12.918 5.812 ( 1.011 -5.479 -0.123) 5.573 5.822 ( -0.023 -5.837 -0.455) 5.855 5.870 ( -0.243 -6.978 0.662) 7.014 5.880 ( 0.224 -5.726 0.363) 5.742 5.905 ( 0.087 -4.740 0.354) 4.754 5.964 ( -0.191 -1.646 0.214) 1.671 5.979 ( 2.588 -3.556 -0.458) 4.422 6.003 ( 0.518 -2.997 -0.617) 3.103 6.144 ( 0.063 4.943 1.402) 5.138 6.363 ( -19.009 -1.300 0.998) 19.079 6.405 ( 1.489 -0.295 -3.030) 3.389 6.649 ( 4.230 -0.689 2.771) 5.103 6.655 ( 2.569 1.736 -2.826) 4.195 6.922 ( 0.075 -0.125 -0.796) 0.809 6.937 ( 1.208 0.456 -0.049) 1.292 7.019 ( -0.394 1.668 1.162) 2.071 ======================= Grid point 95 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 6.228 0.000 11.364) 12.958 0.475 ( 3.357 0.000 16.062) 16.409 0.717 ( 10.165 0.000 20.392) 22.785 0.809 ( -2.017 -0.000 -6.140) 6.462 0.945 ( -6.771 -0.000 -10.089) 12.151 1.072 ( -9.304 -0.000 5.136) 10.628 1.086 ( -6.604 -0.000 -0.158) 6.606 1.232 ( 0.910 0.000 1.780) 1.999 1.314 ( -0.299 -0.000 -0.992) 1.036 1.359 ( -2.043 -0.000 6.139) 6.470 1.406 ( 0.142 0.000 0.075) 0.161 1.463 ( 4.215 0.000 -0.517) 4.246 1.503 ( 1.025 0.000 2.373) 2.584 1.646 ( -1.427 -0.000 -1.374) 1.981 1.666 ( -1.755 -0.000 1.404) 2.247 1.728 ( -2.302 -0.000 1.457) 2.725 1.855 ( -2.215 -0.000 2.937) 3.678 1.865 ( 2.800 0.000 -3.425) 4.423 2.017 ( -0.546 -0.000 -5.050) 5.079 2.027 ( -1.502 -0.000 -1.858) 2.389 2.188 ( 0.874 0.000 -1.789) 1.991 2.223 ( 1.252 0.000 -1.176) 1.718 2.235 ( -0.594 -0.000 1.150) 1.294 2.406 ( -2.265 -0.000 -1.007) 2.478 2.407 ( 1.329 0.000 -2.108) 2.492 2.552 ( 4.391 0.000 -2.214) 4.917 2.603 ( 0.060 0.000 1.019) 1.021 2.638 ( 2.624 0.000 -0.718) 2.720 2.714 ( 1.217 0.000 -1.295) 1.778 2.724 ( -2.306 -0.000 1.794) 2.922 2.922 ( 5.719 0.000 -9.568) 11.147 3.039 ( 4.348 0.000 -3.676) 5.693 3.086 ( -4.054 -0.000 4.165) 5.812 3.119 ( -0.221 -0.000 1.124) 1.146 3.336 ( 4.464 0.000 -6.999) 8.302 3.438 ( 3.457 0.000 -5.127) 6.184 3.822 ( 0.180 0.000 3.825) 3.829 3.918 ( -0.902 -0.000 3.643) 3.753 3.988 ( 4.786 0.000 -2.333) 5.325 4.039 ( 0.924 0.000 -2.382) 2.555 4.343 ( -0.538 -0.000 0.733) 0.910 4.350 ( 3.291 0.000 -2.458) 4.108 4.353 ( -3.488 -0.000 2.012) 4.027 4.396 ( -2.556 -0.000 4.974) 5.592 4.495 ( 5.140 0.000 -0.023) 5.140 4.515 ( -2.973 -0.000 1.418) 3.294 4.691 ( 0.631 0.000 -2.016) 2.113 4.764 ( -3.630 -0.000 3.496) 5.040 4.767 ( 3.656 0.000 -5.112) 6.285 4.888 ( -1.752 -0.000 2.068) 2.711 4.923 ( -1.645 -0.000 2.166) 2.720 5.018 ( -1.731 -0.000 -0.032) 1.731 5.118 ( 0.054 0.000 -3.471) 3.471 5.130 ( 1.375 0.000 -1.496) 2.032 5.202 ( -1.680 -0.000 1.109) 2.013 5.252 ( -6.282 -0.000 2.646) 6.817 5.826 ( -0.430 -0.000 0.447) 0.620 5.885 ( 1.260 0.000 -1.037) 1.632 5.937 ( -0.001 -0.000 0.450) 0.450 5.943 ( 0.278 0.000 0.086) 0.291 5.959 ( -0.154 -0.000 0.280) 0.320 5.980 ( -0.319 -0.000 -0.400) 0.512 5.993 ( -1.781 -0.000 1.214) 2.155 6.049 ( 0.485 0.000 -0.362) 0.605 6.082 ( -2.575 -0.000 4.216) 4.940 6.206 ( 0.402 0.000 4.015) 4.035 6.410 ( 2.814 0.000 -3.358) 4.381 6.614 ( 3.718 0.000 -4.631) 5.939 6.889 ( -1.863 -0.000 -2.459) 3.085 6.925 ( 12.296 0.000 -3.883) 12.894 6.974 ( -3.420 -0.000 -0.340) 3.437 6.988 ( 4.047 0.000 1.622) 4.360 ======================= Grid point 96 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 1.301 -7.600 13.761) 15.773 0.723 ( 6.159 -16.723 8.988) 19.959 0.898 ( -4.329 -5.581 -6.092) 9.328 0.917 ( 7.340 -9.957 8.921) 15.252 1.010 ( -1.202 -18.006 -6.090) 19.046 1.076 ( -9.385 -5.843 6.293) 12.721 1.195 ( -6.023 -11.790 0.215) 13.241 1.293 ( -0.141 -1.589 -0.926) 1.845 1.378 ( -2.070 -6.163 2.478) 6.957 1.403 ( 2.374 -7.699 1.406) 8.179 1.433 ( -0.274 -1.213 -0.649) 1.403 1.483 ( 0.233 -4.508 4.373) 6.285 1.618 ( -0.704 -0.170 -2.168) 2.286 1.692 ( 1.576 -15.327 1.699) 15.501 1.770 ( -6.574 -7.783 0.926) 10.229 1.851 ( -1.344 -5.138 1.853) 5.625 1.873 ( 1.043 -8.408 0.995) 8.531 1.939 ( 1.053 -3.561 -2.670) 4.573 1.972 ( -2.210 0.313 -0.593) 2.310 2.048 ( -1.740 -7.583 -2.314) 8.116 2.211 ( 2.562 -2.193 -2.169) 4.010 2.254 ( -0.382 -3.625 1.014) 3.783 2.279 ( 1.672 -4.143 0.353) 4.482 2.450 ( -2.244 -6.362 -0.302) 6.753 2.482 ( 1.768 -4.705 -3.705) 6.245 2.593 ( 3.773 -2.481 -0.825) 4.590 2.627 ( -0.477 -2.831 -0.171) 2.876 2.647 ( 2.495 -2.095 0.896) 3.379 2.736 ( -0.836 -3.525 0.251) 3.631 2.788 ( 0.100 -6.538 -0.335) 6.547 2.925 ( 4.680 -0.132 -7.752) 9.056 3.023 ( -0.337 2.311 -0.285) 2.352 3.096 ( 0.013 -2.165 -0.175) 2.172 3.129 ( 0.463 -1.518 -0.142) 1.594 3.315 ( 4.088 2.057 -6.393) 7.863 3.413 ( 2.413 2.439 -5.245) 6.267 3.838 ( 0.776 -0.122 3.935) 4.013 3.922 ( -0.925 0.149 3.176) 3.312 3.962 ( 2.008 2.447 -1.690) 3.589 4.017 ( -0.529 0.758 -0.371) 0.996 4.324 ( -0.261 0.362 0.629) 0.771 4.343 ( -1.745 0.359 0.659) 1.899 4.357 ( -0.921 -0.552 0.729) 1.297 4.464 ( -0.931 -3.171 2.260) 4.004 4.491 ( 1.029 1.019 0.701) 1.609 4.527 ( -0.191 -0.665 1.492) 1.644 4.684 ( 0.162 0.416 -1.179) 1.261 4.735 ( -1.919 1.242 2.292) 3.238 4.783 ( -0.764 1.142 -1.081) 1.748 4.837 ( -1.088 2.271 -0.677) 2.608 4.900 ( -1.263 2.007 1.265) 2.688 5.088 ( 1.612 -1.996 -2.556) 3.622 5.187 ( -1.029 -14.063 1.321) 14.163 5.242 ( 0.097 -12.809 1.297) 12.875 5.312 ( -0.503 -14.035 0.825) 14.068 5.426 ( -2.506 -13.781 -2.444) 14.218 5.798 ( -1.549 4.874 -0.047) 5.114 5.828 ( 0.550 6.352 -0.248) 6.381 5.868 ( -0.591 6.907 0.598) 6.958 5.891 ( 0.185 6.199 0.167) 6.204 5.915 ( -0.017 3.444 1.246) 3.663 5.943 ( -1.198 2.934 -0.535) 3.214 5.958 ( -2.912 2.237 -0.455) 3.700 5.997 ( -0.195 4.314 0.328) 4.331 6.134 ( -1.547 -3.483 1.814) 4.221 6.243 ( 0.589 -1.597 3.612) 3.993 6.421 ( 3.481 -0.437 -2.819) 4.501 6.651 ( 4.279 -2.800 -4.328) 6.699 6.853 ( 1.321 2.908 -1.206) 3.414 6.892 ( 5.751 3.782 -0.599) 6.909 6.970 ( -3.981 -1.641 -0.920) 4.403 7.012 ( 2.934 -0.207 2.290) 3.727 ======================= Grid point 97 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 1.144 -11.009 10.309) 15.126 0.964 ( -0.381 -7.806 -2.029) 8.074 1.008 ( 6.490 -7.059 4.895) 10.766 1.098 ( -8.000 -7.726 4.204) 11.890 1.253 ( 1.635 -4.545 -1.526) 5.066 1.334 ( 0.150 -12.278 1.605) 12.384 1.385 ( -3.034 -7.782 -0.933) 8.405 1.442 ( -2.747 -16.823 -1.325) 17.098 1.484 ( 0.008 -10.899 0.614) 10.916 1.490 ( -0.611 -4.296 4.202) 6.041 1.595 ( -1.019 -4.802 -0.614) 4.947 1.641 ( -1.592 -11.349 -0.222) 11.462 1.715 ( 0.405 -12.006 0.015) 12.013 1.811 ( -5.181 -1.245 4.862) 7.213 1.859 ( -2.670 0.066 2.016) 3.346 1.903 ( 3.401 -0.677 -1.974) 3.991 1.988 ( -1.246 -4.617 0.096) 4.783 2.049 ( -0.212 -7.234 -0.948) 7.299 2.154 ( -0.047 -12.646 1.040) 12.689 2.270 ( 0.858 -3.822 -0.870) 4.013 2.300 ( -0.558 -13.715 -0.978) 13.761 2.352 ( -0.127 -5.344 -0.788) 5.403 2.371 ( 3.262 -5.338 -0.272) 6.262 2.519 ( 3.595 -2.127 -2.452) 4.844 2.649 ( -1.056 -11.574 -0.809) 11.650 2.689 ( -0.379 -6.900 0.198) 6.913 2.728 ( 0.199 -7.856 0.335) 7.866 2.799 ( 2.321 -12.804 0.071) 13.013 2.853 ( 0.316 -6.772 -0.963) 6.847 2.939 ( 2.266 -4.405 -2.259) 5.444 2.974 ( 0.588 -9.482 -1.916) 9.691 2.988 ( -1.010 -3.260 -1.735) 3.829 3.163 ( 0.331 -5.211 -2.050) 5.610 3.206 ( 1.565 -6.566 -1.480) 6.910 3.290 ( 2.847 -0.941 -3.843) 4.875 3.356 ( 1.224 1.924 -4.713) 5.235 3.859 ( 0.880 -0.321 3.809) 3.922 3.931 ( -0.917 -1.054 2.049) 2.480 3.943 ( -0.264 -0.260 -0.037) 0.372 4.007 ( -0.747 -0.315 -0.726) 1.088 4.318 ( -1.612 0.444 0.567) 1.765 4.339 ( 0.205 -0.481 0.546) 0.756 4.356 ( -1.274 0.009 0.111) 1.279 4.473 ( 2.067 1.661 0.814) 2.774 4.523 ( -1.215 -2.753 2.683) 4.031 4.548 ( -0.405 -1.292 2.227) 2.607 4.672 ( 0.376 0.563 -1.116) 1.305 4.697 ( -2.314 2.519 2.548) 4.265 4.714 ( -4.530 2.777 2.668) 5.946 4.828 ( 2.426 -0.369 -3.174) 4.012 4.877 ( 0.065 0.197 -0.928) 0.951 5.079 ( 2.045 1.720 -3.300) 4.246 5.525 ( -1.568 -16.415 0.819) 16.510 5.583 ( 0.184 -13.817 1.356) 13.885 5.623 ( -0.090 -2.363 0.132) 2.368 5.632 ( 1.131 -10.171 0.092) 10.235 5.658 ( -0.528 8.755 -0.147) 8.772 5.685 ( 0.012 5.505 0.070) 5.505 5.720 ( -0.009 1.407 -0.027) 1.407 5.727 ( 0.376 8.278 -0.016) 8.286 5.829 ( 0.617 4.196 0.818) 4.319 5.832 ( -0.789 6.758 -1.047) 6.884 5.918 ( -2.815 -1.655 -0.342) 3.283 5.934 ( -3.655 -1.788 0.874) 4.161 6.183 ( -2.644 -2.589 1.005) 3.835 6.281 ( -1.039 -1.020 4.512) 4.741 6.442 ( 3.576 -0.556 -1.943) 4.107 6.723 ( 5.069 -3.106 -4.081) 7.211 6.812 ( 1.234 1.511 -0.545) 2.026 6.864 ( 3.308 1.469 -0.392) 3.640 6.985 ( -3.762 -2.350 -1.424) 4.659 7.029 ( 1.849 0.780 2.101) 2.906 ======================= Grid point 98 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.513 -8.748 5.767) 10.490 1.108 ( -0.269 -7.660 -0.837) 7.710 1.149 ( -0.474 -4.955 1.947) 5.345 1.241 ( -0.260 -5.964 5.512) 8.125 1.325 ( 1.831 -3.481 -1.453) 4.193 1.440 ( -1.808 -2.933 0.816) 3.541 1.484 ( -2.397 -3.152 -1.331) 4.178 1.550 ( -0.803 -3.926 1.146) 4.168 1.642 ( -1.534 -4.867 3.340) 6.099 1.728 ( -1.719 -8.754 0.254) 8.925 1.743 ( -3.655 -3.451 2.161) 5.472 1.767 ( 0.274 -6.876 -1.285) 7.001 1.847 ( 0.780 -5.491 -1.559) 5.761 1.877 ( -0.025 -4.363 0.694) 4.418 1.933 ( 0.042 -4.224 0.646) 4.273 1.970 ( -1.497 -7.377 1.853) 7.752 2.043 ( 0.603 -2.658 1.331) 3.033 2.127 ( -3.382 -4.037 0.624) 5.304 2.250 ( 1.368 3.269 -0.153) 3.547 2.338 ( 1.570 -4.067 -1.598) 4.643 2.352 ( 0.147 0.346 -0.260) 0.457 2.407 ( 3.503 -0.224 1.305) 3.745 2.545 ( 4.640 -0.393 -4.294) 6.334 2.624 ( 1.483 -5.395 -3.805) 6.767 2.766 ( -0.047 -0.676 -0.439) 0.808 2.793 ( -2.505 -3.769 1.647) 4.816 2.932 ( 0.799 -7.030 -1.403) 7.213 2.968 ( -1.632 -13.856 -0.652) 13.967 3.034 ( 1.892 -6.369 -1.103) 6.735 3.135 ( 2.266 -15.539 -2.563) 15.911 3.178 ( 0.890 -14.332 -1.629) 14.451 3.198 ( 0.947 -12.460 -2.791) 12.804 3.311 ( -0.221 -10.706 0.177) 10.710 3.376 ( 0.275 -9.948 -0.388) 9.960 3.391 ( 0.232 -8.411 -3.437) 9.090 3.418 ( 1.734 -10.892 -1.195) 11.094 3.882 ( 0.060 -0.631 3.455) 3.513 3.955 ( -0.949 -0.948 3.126) 3.402 3.976 ( 0.049 -3.131 -1.139) 3.332 4.017 ( -0.570 -1.387 -0.872) 1.734 4.303 ( -0.925 0.386 0.665) 1.203 4.344 ( -1.450 -0.082 0.273) 1.478 4.363 ( -0.075 -1.092 0.477) 1.194 4.454 ( 1.640 1.366 0.269) 2.151 4.563 ( 0.170 -0.346 3.163) 3.186 4.592 ( -0.712 -2.682 1.380) 3.099 4.650 ( -2.255 1.265 2.194) 3.391 4.652 ( -2.783 1.553 1.698) 3.611 4.670 ( -0.872 0.762 2.017) 2.326 4.834 ( 1.757 -0.004 -2.681) 3.206 4.891 ( 1.550 -1.720 -2.793) 3.627 5.036 ( 2.083 2.656 -3.528) 4.883 5.413 ( -0.925 10.592 0.096) 10.632 5.445 ( -0.170 11.196 -0.056) 11.198 5.468 ( -0.076 11.540 0.662) 11.560 5.497 ( 0.276 11.418 -0.153) 11.422 5.620 ( -0.894 8.500 -0.412) 8.557 5.628 ( -0.170 7.720 -0.255) 7.727 5.645 ( -0.435 4.841 0.674) 4.907 5.685 ( 0.341 6.656 0.260) 6.670 5.971 ( -0.379 -13.672 1.266) 13.736 6.016 ( -0.728 -16.124 0.996) 16.171 6.060 ( -0.661 -8.614 0.182) 8.641 6.118 ( -2.210 -12.464 0.431) 12.666 6.261 ( -1.611 -8.368 -1.372) 8.632 6.306 ( -2.026 -1.658 6.235) 6.762 6.466 ( 2.808 -0.896 -1.669) 3.387 6.760 ( 3.356 1.109 -3.850) 5.226 6.820 ( 2.406 -1.915 -0.762) 3.168 6.876 ( 2.591 -1.257 0.012) 2.879 7.002 ( -1.258 1.118 0.445) 1.741 7.013 ( -1.358 -0.697 -0.686) 1.674 ======================= Grid point 99 (39/115) ======================= q-point: ( 0.56 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -0.989 2.183 0.344) 2.421 1.222 ( -1.042 -1.824 5.519) 5.905 1.260 ( 0.955 -5.828 -2.671) 6.482 1.314 ( -2.270 -2.182 4.700) 5.658 1.356 ( -3.125 -0.436 0.397) 3.180 1.501 ( 1.245 -1.457 0.673) 2.031 1.518 ( 1.737 -2.378 -0.288) 2.959 1.603 ( -1.437 -1.137 1.708) 2.505 1.697 ( -2.572 -2.730 3.751) 5.304 1.770 ( 0.353 1.889 -0.524) 1.992 1.774 ( -1.266 -1.914 1.347) 2.661 1.870 ( 0.512 -3.270 -0.992) 3.455 1.923 ( 0.523 -0.706 -1.133) 1.434 1.969 ( -0.233 -4.554 -1.001) 4.669 2.009 ( -1.281 -2.774 0.074) 3.056 2.038 ( -1.100 -2.695 1.802) 3.424 2.135 ( -1.562 -4.359 1.931) 5.017 2.179 ( -0.312 1.839 0.373) 1.902 2.187 ( 1.369 1.267 2.291) 2.955 2.310 ( -1.761 0.639 -1.816) 2.609 2.394 ( 3.404 0.271 2.108) 4.013 2.433 ( -0.828 -0.702 -1.193) 1.613 2.538 ( 4.948 1.043 -5.141) 7.211 2.597 ( 1.362 3.361 -3.887) 5.316 2.786 ( 0.459 -1.115 -0.174) 1.219 2.833 ( -1.079 -1.200 1.079) 1.942 2.971 ( 2.586 -0.549 -4.213) 4.974 3.071 ( 1.106 -0.118 -2.834) 3.045 3.262 ( -0.988 -10.576 0.139) 10.623 3.376 ( 1.254 -7.511 -1.861) 7.839 3.404 ( 0.437 -7.502 -1.366) 7.638 3.409 ( 0.488 -5.448 -0.220) 5.474 3.494 ( -0.054 -6.135 0.675) 6.172 3.551 ( 0.226 -6.353 -0.488) 6.375 3.556 ( 0.210 -6.218 -2.037) 6.547 3.606 ( 1.622 -5.495 -1.155) 5.845 3.897 ( -1.223 0.167 2.685) 2.955 3.968 ( -1.253 0.261 2.506) 2.814 4.037 ( 0.710 -2.848 -0.813) 3.046 4.054 ( -0.029 -2.511 -0.431) 2.548 4.301 ( -0.251 -0.163 0.877) 0.927 4.342 ( -2.006 -0.534 0.950) 2.283 4.381 ( -0.199 -0.382 0.416) 0.599 4.441 ( 0.863 0.853 0.018) 1.214 4.566 ( -1.295 0.352 2.988) 3.276 4.606 ( -2.549 1.753 4.447) 5.418 4.630 ( -0.522 -0.917 1.217) 1.611 4.646 ( -1.896 -0.344 2.253) 2.964 4.669 ( 0.033 -0.200 0.176) 0.268 4.835 ( 1.479 -0.036 -2.533) 2.933 4.932 ( 2.260 -2.420 -3.706) 4.970 4.981 ( 2.184 2.868 -3.736) 5.191 5.244 ( -0.865 5.264 0.219) 5.339 5.272 ( 0.075 5.536 0.081) 5.537 5.290 ( 0.412 5.600 0.275) 5.622 5.318 ( 0.108 6.029 -0.285) 6.036 5.478 ( -0.807 4.361 -0.064) 4.436 5.509 ( 0.326 3.835 -0.634) 3.901 5.542 ( 0.191 3.639 0.712) 3.713 5.572 ( -0.825 3.442 0.409) 3.563 6.116 ( -1.426 -0.975 2.359) 2.924 6.151 ( -1.121 -4.746 1.278) 5.041 6.253 ( -0.104 -6.305 1.269) 6.432 6.291 ( -1.484 -4.603 -0.624) 4.877 6.321 ( -1.607 -2.190 3.600) 4.510 6.439 ( 2.099 -3.798 -0.285) 4.349 6.501 ( 0.076 -2.364 -1.587) 2.848 6.735 ( 2.500 0.710 -4.053) 4.815 6.856 ( 2.568 0.569 1.225) 2.901 6.925 ( 0.909 -2.261 -0.875) 2.590 6.940 ( -2.473 3.028 1.018) 4.040 7.036 ( 0.104 -1.749 -1.969) 2.635 ======================= Grid point 100 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -1.170 7.992 1.630) 8.240 1.153 ( -3.584 7.715 4.889) 9.811 1.319 ( 0.138 1.240 0.319) 1.288 1.359 ( -3.833 -0.716 5.919) 7.088 1.363 ( 1.120 -2.664 -2.563) 3.863 1.472 ( 0.221 3.564 -0.013) 3.571 1.560 ( -0.913 0.750 -1.390) 1.824 1.598 ( -1.393 1.358 4.201) 4.630 1.706 ( 2.492 2.706 -1.793) 4.092 1.769 ( -1.164 -2.188 2.022) 3.198 1.803 ( -0.389 -0.953 1.643) 1.939 1.879 ( -0.130 2.149 -1.758) 2.779 1.898 ( 0.262 1.661 0.341) 1.716 1.984 ( 0.617 2.759 0.187) 2.833 2.048 ( 0.563 2.848 0.827) 3.019 2.062 ( -0.519 0.914 -1.001) 1.451 2.126 ( -0.948 2.905 0.991) 3.212 2.138 ( -0.164 -1.918 1.608) 2.508 2.201 ( -0.949 1.231 1.934) 2.481 2.311 ( -3.657 -3.108 0.829) 4.871 2.383 ( -0.299 3.638 -2.062) 4.193 2.393 ( 1.951 3.021 1.674) 3.966 2.543 ( 1.880 -0.661 -5.497) 5.847 2.582 ( 3.388 -2.107 -4.385) 5.928 2.799 ( 0.903 0.161 -0.033) 0.918 2.838 ( -1.097 0.303 1.085) 1.572 2.977 ( 4.047 0.564 -4.548) 6.114 3.064 ( 0.205 0.318 -2.506) 2.534 3.303 ( 0.025 6.263 0.043) 6.264 3.341 ( -0.194 11.243 -0.057) 11.244 3.382 ( 1.319 7.260 -2.093) 7.669 3.421 ( 0.641 6.112 -0.754) 6.191 3.492 ( -0.115 6.454 0.281) 6.461 3.556 ( 0.945 5.567 -1.032) 5.740 3.564 ( 0.029 5.728 -1.103) 5.833 3.595 ( 1.236 6.615 -1.206) 6.836 3.869 ( -1.585 2.532 2.228) 3.726 3.945 ( -1.823 1.823 2.880) 3.865 4.064 ( 0.827 0.427 -1.333) 1.626 4.080 ( -0.031 0.160 -0.206) 0.262 4.311 ( 0.214 -0.579 0.708) 0.939 4.346 ( -1.722 -0.528 1.262) 2.200 4.373 ( -0.586 0.930 0.809) 1.364 4.421 ( 0.249 1.522 -0.197) 1.555 4.550 ( -2.829 1.016 3.369) 4.515 4.613 ( -0.576 -1.397 3.423) 3.742 4.632 ( -0.449 0.580 1.505) 1.674 4.647 ( -2.692 -0.555 2.630) 3.804 4.672 ( -0.124 -0.248 0.148) 0.314 4.831 ( 1.655 0.393 -2.688) 3.181 4.930 ( 2.015 2.309 -3.332) 4.527 4.984 ( 2.311 -2.844 -3.923) 5.368 5.250 ( -0.062 -6.262 0.224) 6.266 5.274 ( -0.356 -5.780 0.485) 5.811 5.291 ( 0.951 -4.820 -0.248) 4.919 5.313 ( -0.473 -6.111 -0.190) 6.132 5.474 ( -0.515 -4.615 0.222) 4.649 5.497 ( 0.273 -3.154 -0.248) 3.176 5.559 ( 0.661 -4.199 0.213) 4.256 5.582 ( -0.363 -4.362 0.309) 4.388 6.119 ( -1.026 1.291 1.694) 2.364 6.159 ( -0.985 3.987 1.752) 4.465 6.262 ( -0.433 6.063 1.301) 6.216 6.298 ( -1.278 1.761 1.775) 2.808 6.327 ( -0.910 3.150 1.109) 3.462 6.436 ( 3.189 3.397 -0.850) 4.736 6.484 ( -1.606 3.393 -0.969) 3.877 6.746 ( 2.503 -0.587 -4.182) 4.909 6.794 ( -0.921 5.165 0.851) 5.315 6.919 ( -0.619 -0.628 1.111) 1.418 6.946 ( -0.640 -0.151 -1.181) 1.351 7.065 ( 1.672 -1.037 -1.178) 2.293 ======================= Grid point 101 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 1.260 11.568 4.106) 12.340 0.964 ( -4.531 11.243 7.991) 14.519 1.249 ( -1.047 4.943 -1.375) 5.236 1.331 ( -3.810 3.561 3.962) 6.550 1.384 ( -2.380 3.949 -1.764) 4.937 1.391 ( 3.122 1.119 -0.735) 3.396 1.486 ( -1.739 5.598 5.341) 7.930 1.550 ( -0.953 4.276 1.582) 4.657 1.652 ( 2.312 4.368 -2.301) 5.452 1.737 ( -0.260 6.818 -0.190) 6.825 1.751 ( 1.234 8.925 0.260) 9.014 1.829 ( 0.009 5.708 -1.713) 5.960 1.868 ( -2.428 -0.611 1.805) 3.087 1.904 ( 0.114 4.221 -0.874) 4.312 1.935 ( -0.265 5.642 1.143) 5.763 1.963 ( -0.604 8.977 0.236) 9.000 2.085 ( -1.536 -0.730 -0.555) 1.789 2.173 ( 0.850 1.127 3.019) 3.333 2.218 ( -1.003 -1.895 1.443) 2.585 2.279 ( -0.890 5.091 -0.883) 5.243 2.331 ( 1.897 3.514 0.730) 4.059 2.373 ( -3.311 -1.401 1.279) 3.816 2.520 ( 2.166 2.168 -6.263) 6.972 2.615 ( 3.698 2.196 -4.235) 6.036 2.785 ( 0.912 2.184 0.059) 2.367 2.818 ( -1.351 2.151 1.253) 2.832 2.938 ( 3.631 5.197 -2.777) 6.921 2.983 ( -1.927 12.243 -1.191) 12.451 3.049 ( 2.982 16.735 1.540) 17.068 3.059 ( -1.932 13.239 -1.237) 13.436 3.181 ( 3.088 10.584 -3.858) 11.681 3.234 ( 0.645 11.881 -2.506) 12.159 3.299 ( 0.850 11.024 0.027) 11.057 3.370 ( 0.015 11.708 -0.524) 11.720 3.389 ( 1.422 9.978 -1.264) 10.157 3.426 ( 1.527 8.439 -2.411) 8.908 3.824 ( -1.516 1.634 2.776) 3.560 3.917 ( -1.374 1.016 2.968) 3.425 4.028 ( -0.274 2.436 -1.552) 2.901 4.054 ( -0.273 1.748 -0.053) 1.770 4.329 ( 0.470 -0.866 0.148) 0.996 4.351 ( 0.053 -0.033 0.734) 0.737 4.365 ( -2.188 -0.574 1.566) 2.751 4.394 ( 0.515 1.148 0.029) 1.258 4.524 ( -2.193 1.328 3.332) 4.204 4.601 ( -1.138 2.335 1.574) 3.037 4.645 ( 0.275 -1.457 0.958) 1.765 4.670 ( -1.015 -1.371 1.840) 2.509 4.703 ( -2.289 -3.227 2.546) 4.705 4.825 ( 2.036 0.310 -3.065) 3.693 4.892 ( 1.393 1.676 -2.111) 3.034 5.036 ( 2.261 -2.454 -3.769) 5.034 5.433 ( 0.115 -10.969 0.079) 10.970 5.450 ( 0.108 -11.036 -0.109) 11.037 5.460 ( -0.159 -11.524 0.636) 11.543 5.495 ( -0.013 -11.501 -0.125) 11.502 5.616 ( 0.510 -7.931 0.241) 7.951 5.622 ( -0.218 -8.712 0.115) 8.716 5.658 ( 0.170 -4.833 0.041) 4.837 5.688 ( -0.521 -5.034 0.156) 5.064 5.948 ( -0.357 15.585 1.143) 15.631 6.027 ( -0.393 16.581 0.135) 16.587 6.072 ( -1.158 6.661 1.850) 7.010 6.150 ( 0.918 12.435 -0.290) 12.472 6.276 ( -0.004 2.669 2.354) 3.559 6.387 ( -3.164 2.197 1.564) 4.158 6.413 ( 0.112 1.565 -1.758) 2.357 6.688 ( 0.441 3.980 1.911) 4.436 6.752 ( 2.059 1.168 -5.074) 5.599 6.928 ( -0.999 0.503 -1.750) 2.077 6.936 ( 0.590 -0.513 1.072) 1.327 7.076 ( 0.684 0.504 -0.275) 0.893 ======================= Grid point 102 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 6.463 12.881 7.231) 16.124 0.749 ( -5.093 11.195 13.826) 18.505 1.128 ( -2.080 5.599 -3.821) 7.091 1.193 ( -3.903 11.767 2.017) 12.560 1.283 ( -2.098 4.989 -1.856) 5.721 1.316 ( -1.432 10.547 2.076) 10.845 1.382 ( -0.049 6.790 7.454) 10.083 1.442 ( -0.078 4.193 -0.192) 4.198 1.497 ( -0.068 13.598 -1.133) 13.645 1.508 ( -0.728 10.039 -1.033) 10.118 1.595 ( 0.239 7.635 1.554) 7.795 1.638 ( 1.989 13.406 -0.497) 13.562 1.709 ( 0.738 9.726 -0.331) 9.760 1.858 ( -3.453 0.060 2.754) 4.416 1.874 ( 1.282 4.815 -2.267) 5.474 1.919 ( -3.500 -1.622 -0.403) 3.878 2.058 ( -2.813 3.669 -1.439) 4.842 2.086 ( -2.248 9.909 -0.529) 10.174 2.135 ( 0.407 8.633 1.692) 8.807 2.209 ( 3.953 3.780 0.598) 5.502 2.285 ( -0.741 5.689 1.642) 5.968 2.321 ( 2.474 2.557 0.204) 3.564 2.397 ( -0.635 17.465 -1.755) 17.565 2.506 ( 0.564 -1.143 -3.275) 3.514 2.668 ( 1.039 9.906 -1.505) 10.074 2.684 ( 0.482 11.445 -0.357) 11.461 2.725 ( -0.522 8.354 1.448) 8.494 2.747 ( 0.488 10.575 0.562) 10.602 2.885 ( 0.227 5.975 -2.161) 6.358 2.919 ( 1.794 2.171 -2.167) 3.554 2.975 ( 1.656 11.018 -2.179) 11.353 3.013 ( 0.408 5.557 -1.060) 5.672 3.152 ( 2.187 5.821 -0.948) 6.290 3.194 ( 0.804 6.347 -1.282) 6.525 3.282 ( 2.799 0.518 -4.004) 4.913 3.365 ( 3.442 -1.229 -4.583) 5.862 3.809 ( -1.091 0.371 3.366) 3.557 3.909 ( -0.911 0.257 3.099) 3.240 3.977 ( -1.142 1.672 -1.800) 2.709 4.027 ( -0.255 0.850 0.255) 0.923 4.336 ( -0.907 0.109 -0.438) 1.013 4.354 ( 0.199 -0.073 -0.066) 0.222 4.373 ( -2.928 -0.633 2.126) 3.673 4.399 ( 2.926 -0.765 1.391) 3.329 4.501 ( -1.420 1.285 3.487) 3.978 4.558 ( -1.640 1.702 1.685) 2.903 4.671 ( 0.809 -0.953 -0.874) 1.525 4.708 ( -1.270 -2.325 1.941) 3.284 4.763 ( -2.462 -3.300 2.074) 4.610 4.820 ( 2.070 0.177 -2.971) 3.625 4.875 ( 0.774 0.093 -0.327) 0.846 5.076 ( 2.289 -1.588 -3.560) 4.521 5.536 ( -0.844 18.565 1.781) 18.669 5.582 ( -1.198 14.976 0.478) 15.032 5.596 ( 1.215 12.317 -0.063) 12.377 5.638 ( -0.573 -2.657 0.011) 2.718 5.664 ( 0.252 -9.118 0.104) 9.122 5.686 ( -0.048 -6.210 -0.318) 6.219 5.713 ( -0.176 -6.203 0.732) 6.248 5.725 ( 0.118 -5.003 -0.231) 5.010 5.805 ( 0.638 -4.086 0.391) 4.154 5.847 ( -0.072 -8.349 -0.323) 8.356 5.958 ( -0.035 2.605 -0.025) 2.605 5.977 ( -0.271 1.570 0.609) 1.705 6.230 ( 1.159 3.191 -0.097) 3.397 6.318 ( -10.223 1.992 3.199) 10.896 6.404 ( 2.303 0.110 -2.421) 3.343 6.669 ( 4.018 0.034 4.052) 5.706 6.706 ( 2.477 2.900 -5.310) 6.538 6.910 ( -1.093 -0.043 -2.415) 2.651 6.953 ( 1.886 -0.062 1.504) 2.413 7.051 ( -1.077 1.739 0.075) 2.046 ======================= Grid point 105 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 8.127 0.000 9.479) 12.486 0.592 ( 0.910 0.000 15.652) 15.679 0.750 ( -0.529 -0.000 -5.974) 5.997 0.808 ( -5.455 -0.000 -11.193) 12.452 0.956 ( 7.164 0.000 12.482) 14.392 1.003 ( -8.778 -0.000 -0.543) 8.794 1.006 ( -6.020 -0.000 9.299) 11.077 1.243 ( -0.387 -0.000 0.467) 0.606 1.316 ( 1.863 0.000 -0.969) 2.100 1.382 ( 0.959 0.000 3.548) 3.675 1.394 ( -1.734 -0.000 -0.699) 1.869 1.506 ( 2.473 0.000 0.680) 2.565 1.508 ( -2.300 -0.000 0.070) 2.301 1.616 ( -1.289 -0.000 -1.436) 1.929 1.642 ( -5.368 -0.000 3.584) 6.454 1.717 ( -1.464 -0.000 1.038) 1.795 1.861 ( 0.630 0.000 -3.858) 3.909 1.866 ( -0.467 -0.000 4.568) 4.592 1.989 ( 0.957 0.000 -4.721) 4.817 2.004 ( -1.008 -0.000 -0.518) 1.133 2.184 ( 0.777 0.000 -1.221) 1.447 2.227 ( 1.054 0.000 -1.664) 1.970 2.228 ( -1.307 -0.000 0.212) 1.324 2.382 ( -1.550 -0.000 0.191) 1.561 2.410 ( 1.680 0.000 -1.771) 2.441 2.590 ( 5.187 0.000 -2.215) 5.640 2.603 ( -0.120 -0.000 0.250) 0.278 2.656 ( 0.870 0.000 0.528) 1.018 2.709 ( -2.376 -0.000 1.145) 2.637 2.725 ( 2.574 0.000 -1.418) 2.939 2.923 ( 5.672 0.000 -9.135) 10.753 3.049 ( 2.153 0.000 -4.415) 4.911 3.068 ( -4.158 -0.000 3.567) 5.478 3.119 ( -0.807 -0.000 0.393) 0.897 3.339 ( 4.646 0.000 -7.133) 8.513 3.433 ( 1.982 0.000 -5.285) 5.644 3.855 ( 1.213 0.000 3.992) 4.172 3.930 ( -1.252 -0.000 3.463) 3.683 4.018 ( 4.182 0.000 -3.748) 5.616 4.030 ( 0.420 0.000 -1.504) 1.561 4.333 ( -2.446 -0.000 1.558) 2.900 4.340 ( -0.705 -0.000 0.393) 0.807 4.367 ( 2.943 0.000 -3.054) 4.241 4.398 ( -2.770 -0.000 4.349) 5.156 4.493 ( -2.995 -0.000 1.996) 3.599 4.537 ( 3.264 0.000 -0.395) 3.288 4.681 ( -0.160 -0.000 -1.919) 1.926 4.751 ( -3.649 -0.000 4.494) 5.789 4.777 ( 4.103 0.000 -4.809) 6.322 4.866 ( -4.240 -0.000 1.133) 4.389 4.909 ( -2.994 -0.000 1.242) 3.241 4.997 ( -2.298 -0.000 0.523) 2.357 5.102 ( 0.466 0.000 -1.917) 1.973 5.141 ( 1.800 0.000 -0.540) 1.879 5.191 ( -1.234 -0.000 0.258) 1.261 5.206 ( -5.756 -0.000 3.196) 6.584 5.824 ( -0.403 -0.000 0.439) 0.596 5.890 ( 0.963 0.000 -1.059) 1.431 5.939 ( 0.032 0.000 0.150) 0.154 5.947 ( 0.414 0.000 0.115) 0.429 5.959 ( -0.317 -0.000 0.606) 0.684 5.973 ( -0.425 -0.000 -0.431) 0.606 5.982 ( -1.779 -0.000 1.447) 2.294 6.052 ( 0.484 0.000 -0.381) 0.617 6.082 ( -2.187 -0.000 3.857) 4.434 6.247 ( 2.322 0.000 3.154) 3.917 6.424 ( 3.864 0.000 -3.261) 5.056 6.633 ( 4.698 0.000 -3.228) 5.700 6.855 ( -1.509 -0.000 -2.387) 2.824 6.926 ( -4.585 -0.000 -1.223) 4.745 7.001 ( 7.172 0.000 -3.191) 7.850 7.033 ( 3.205 0.000 0.205) 3.211 ======================= Grid point 106 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 1.506 -6.602 12.573) 14.281 0.798 ( -1.722 -5.857 -7.097) 9.361 0.834 ( 4.794 -18.112 5.107) 19.419 0.957 ( -6.501 -9.140 2.172) 11.425 0.985 ( -2.150 -14.824 -0.120) 14.980 1.109 ( -0.092 -8.657 5.449) 10.229 1.134 ( -0.571 -10.971 4.517) 11.878 1.284 ( 0.011 -1.102 -1.917) 2.211 1.381 ( -0.161 -4.759 2.344) 5.307 1.409 ( -1.149 -6.529 -1.629) 6.827 1.432 ( -0.233 -1.640 0.297) 1.683 1.502 ( -0.667 -6.318 3.373) 7.193 1.589 ( -2.284 -0.044 -1.589) 2.783 1.709 ( -4.916 -7.838 0.690) 9.278 1.723 ( 0.878 -14.889 2.599) 15.140 1.860 ( -0.103 -8.608 3.025) 9.125 1.886 ( -0.808 -7.332 2.233) 7.707 1.931 ( 1.079 -3.071 -3.044) 4.456 1.955 ( -0.612 1.726 0.393) 1.873 2.013 ( -2.355 -5.820 -1.843) 6.544 2.223 ( 2.535 -3.500 -2.108) 4.808 2.251 ( -0.214 -3.842 -0.880) 3.947 2.298 ( 1.417 -5.508 0.047) 5.688 2.432 ( -1.384 -5.822 0.704) 6.025 2.482 ( 2.031 -5.461 -2.820) 6.473 2.614 ( 1.037 -1.658 -0.664) 2.066 2.632 ( 1.571 -2.295 0.189) 2.788 2.680 ( 3.102 -3.082 0.167) 4.376 2.727 ( -1.638 -3.518 1.012) 4.010 2.789 ( 1.043 -5.836 -1.365) 6.084 2.925 ( 4.396 -0.061 -7.121) 8.369 3.009 ( -1.580 2.366 -0.872) 2.975 3.086 ( -0.831 -2.392 -1.655) 3.025 3.130 ( 0.091 -1.959 -0.362) 1.994 3.319 ( 4.472 2.041 -6.508) 8.155 3.399 ( 1.366 2.572 -5.474) 6.200 3.873 ( 1.039 0.048 3.504) 3.656 3.931 ( -1.272 0.234 2.981) 3.250 3.968 ( 1.315 3.288 -1.916) 4.026 4.012 ( 0.202 1.308 -0.795) 1.544 4.322 ( -0.736 0.432 0.909) 1.247 4.337 ( -1.037 -0.044 1.005) 1.444 4.351 ( -0.179 0.160 -0.341) 0.417 4.460 ( -1.676 -3.471 1.710) 4.217 4.498 ( -0.867 -0.554 2.166) 2.398 4.544 ( 1.443 0.279 0.513) 1.557 4.676 ( -0.017 0.051 -1.486) 1.487 4.729 ( -3.176 1.194 4.335) 5.504 4.761 ( -2.404 3.387 -0.293) 4.164 4.827 ( 1.198 0.169 -2.517) 2.792 4.888 ( -1.902 1.067 0.208) 2.191 5.089 ( 1.312 -2.701 -2.204) 3.725 5.180 ( -0.927 -12.890 0.177) 12.925 5.254 ( -0.486 -13.480 2.664) 13.749 5.316 ( 0.592 -14.757 0.499) 14.777 5.386 ( -2.580 -15.179 -1.846) 15.508 5.782 ( -1.422 5.047 0.207) 5.248 5.831 ( 0.352 6.382 -0.399) 6.405 5.866 ( -0.583 7.201 0.760) 7.265 5.893 ( -0.005 6.268 -0.015) 6.269 5.920 ( -0.687 3.155 0.541) 3.274 5.929 ( -0.924 3.093 -0.056) 3.229 5.936 ( -1.031 3.806 0.367) 3.960 5.998 ( -0.147 4.510 0.447) 4.534 6.132 ( -1.346 -2.728 2.190) 3.748 6.276 ( 0.872 -0.674 4.084) 4.230 6.443 ( 3.880 -0.639 -2.775) 4.812 6.677 ( 4.962 -2.650 -2.788) 6.279 6.832 ( -0.418 1.056 -2.608) 2.845 6.915 ( -4.629 -1.719 -1.212) 5.085 6.961 ( 5.629 4.706 -1.095) 7.418 7.050 ( 1.948 -0.057 1.445) 2.426 ======================= Grid point 107 (45/115) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 1.962 -9.329 -0.738) 9.562 0.929 ( -0.061 -9.762 5.354) 11.134 1.026 ( -8.934 -6.770 4.758) 12.177 1.151 ( 7.023 -7.945 7.200) 12.817 1.259 ( 0.760 -5.142 -2.198) 5.644 1.321 ( -4.281 -7.979 -0.794) 9.090 1.354 ( -0.016 -7.821 -0.878) 7.870 1.410 ( -1.762 -16.962 -0.418) 17.058 1.482 ( -0.152 -9.072 0.872) 9.115 1.519 ( 0.020 -8.197 4.067) 9.151 1.577 ( -1.212 -5.833 -1.135) 6.065 1.615 ( -2.609 -9.322 -0.495) 9.693 1.718 ( 0.426 -11.775 -0.382) 11.789 1.787 ( -5.077 -4.247 4.892) 8.231 1.859 ( -1.891 0.310 5.722) 6.035 1.923 ( 3.127 0.021 -3.175) 4.456 1.993 ( 0.802 -3.985 1.997) 4.529 2.038 ( -0.763 -4.482 -0.973) 4.649 2.163 ( 0.889 -13.501 0.387) 13.536 2.250 ( -2.608 -18.391 -0.722) 18.589 2.295 ( 0.582 -4.459 -0.977) 4.602 2.348 ( 0.643 -4.326 -1.671) 4.682 2.406 ( 3.138 -4.005 -0.485) 5.111 2.543 ( 3.711 -4.049 -2.340) 5.970 2.635 ( -1.157 -10.610 0.130) 10.673 2.688 ( -0.204 -6.308 0.549) 6.336 2.734 ( 0.680 -7.702 0.457) 7.746 2.798 ( -0.949 -8.248 -1.772) 8.489 2.875 ( 2.942 -10.551 0.512) 10.966 2.944 ( 1.771 -8.270 -3.005) 8.976 2.966 ( -0.621 -1.216 -0.803) 1.585 2.967 ( 0.240 -8.014 -2.693) 8.458 3.150 ( 0.113 -5.636 -2.626) 6.219 3.212 ( 1.502 -6.677 -1.844) 7.088 3.296 ( 3.009 -0.979 -4.046) 5.136 3.335 ( 0.570 1.971 -4.811) 5.230 3.887 ( 0.179 -0.181 2.819) 2.830 3.933 ( 0.450 -0.702 0.101) 0.840 3.942 ( -1.787 -0.416 2.555) 3.145 3.996 ( -0.324 -0.192 -0.879) 0.957 4.313 ( -0.189 0.560 0.941) 1.111 4.341 ( -1.429 0.104 -0.109) 1.437 4.344 ( 0.058 -0.534 0.572) 0.784 4.492 ( 0.900 1.419 0.229) 1.696 4.525 ( -1.309 -3.365 2.343) 4.304 4.563 ( 0.068 -1.334 2.316) 2.674 4.663 ( -1.232 1.076 -0.876) 1.856 4.680 ( -2.026 2.501 0.634) 3.280 4.700 ( -3.029 1.751 5.258) 6.315 4.834 ( 2.301 -0.281 -3.086) 3.860 4.870 ( 0.096 -0.186 -1.613) 1.627 5.079 ( 1.900 1.747 -3.261) 4.159 5.515 ( -1.125 -15.781 0.705) 15.837 5.594 ( 0.153 -14.455 1.665) 14.551 5.621 ( -0.062 2.136 0.087) 2.139 5.645 ( 1.038 -12.769 0.043) 12.812 5.650 ( -0.664 6.813 -0.415) 6.858 5.687 ( 0.001 6.519 0.427) 6.533 5.716 ( -0.346 -1.438 -0.418) 1.537 5.731 ( 0.382 7.857 -0.020) 7.866 5.810 ( -1.380 5.386 -1.122) 5.672 5.843 ( 0.762 3.138 0.581) 3.281 5.888 ( -2.463 -0.505 -0.104) 2.517 5.908 ( -2.418 0.864 1.171) 2.822 6.169 ( -1.819 -1.652 1.641) 2.954 6.302 ( -0.816 -0.514 5.459) 5.543 6.464 ( 2.954 -0.463 -2.400) 3.834 6.759 ( 5.440 -3.576 -2.343) 6.918 6.798 ( 0.527 1.455 -3.125) 3.487 6.913 ( 3.615 2.309 0.653) 4.339 6.937 ( -3.648 -2.795 -1.232) 4.758 7.050 ( 0.211 1.332 0.856) 1.598 ======================= Grid point 108 (46/115) ======================= q-point: ( 0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 1.920 -7.776 -2.383) 8.356 1.122 ( -4.258 -7.490 3.585) 9.332 1.144 ( -0.580 -7.146 6.804) 9.884 1.291 ( 0.886 -1.936 4.593) 5.063 1.316 ( -0.355 -2.304 -2.008) 3.077 1.420 ( -3.340 -5.880 -2.804) 7.321 1.461 ( 0.538 -4.439 0.736) 4.531 1.551 ( 0.757 -3.628 -0.002) 3.706 1.652 ( -1.348 -5.257 3.890) 6.677 1.706 ( -5.327 -1.749 4.093) 6.942 1.724 ( -0.002 -10.292 -0.269) 10.295 1.774 ( 1.547 -8.378 -0.400) 8.529 1.847 ( 1.558 -4.134 -2.000) 4.849 1.886 ( -0.692 -4.636 3.215) 5.684 1.930 ( -0.479 -2.834 -1.044) 3.058 1.970 ( -1.002 -7.491 2.135) 7.853 2.055 ( -0.246 -1.562 0.336) 1.616 2.104 ( -1.904 -5.152 2.057) 5.865 2.260 ( 0.682 2.925 -0.370) 3.026 2.343 ( 1.224 -5.171 -1.503) 5.522 2.351 ( 0.489 1.571 -0.558) 1.737 2.437 ( 1.557 0.406 -0.523) 1.692 2.569 ( 3.371 -2.855 -2.232) 4.949 2.615 ( 2.099 -2.623 -4.405) 5.540 2.757 ( -1.225 -1.923 -0.568) 2.350 2.786 ( -0.507 -3.541 1.572) 3.908 2.936 ( 1.578 -5.677 -1.606) 6.107 2.954 ( -1.074 -16.778 1.000) 16.842 3.035 ( 0.806 -4.333 -2.902) 5.277 3.146 ( 3.010 -14.417 -2.505) 14.940 3.177 ( 1.186 -13.597 -2.576) 13.890 3.191 ( 0.102 -14.517 -1.304) 14.576 3.310 ( -0.134 -11.052 0.094) 11.053 3.369 ( -0.336 -8.470 -1.818) 8.669 3.379 ( 0.938 -10.235 -2.177) 10.506 3.426 ( 1.305 -11.100 -1.612) 11.292 3.896 ( -1.266 -0.199 2.669) 2.961 3.961 ( -1.259 -1.224 2.704) 3.224 3.976 ( 0.577 -3.042 -0.130) 3.099 4.008 ( -0.017 -1.501 -0.662) 1.641 4.307 ( 0.561 0.419 1.076) 1.284 4.330 ( -1.608 0.055 0.610) 1.721 4.364 ( -0.250 -1.159 0.358) 1.239 4.466 ( 0.556 1.415 -0.237) 1.538 4.582 ( -0.118 -0.479 2.769) 2.812 4.593 ( -0.615 -1.914 0.900) 2.203 4.630 ( -3.179 -0.304 1.934) 3.733 4.646 ( -1.401 1.787 2.235) 3.187 4.675 ( -0.939 0.833 2.666) 2.946 4.834 ( 1.455 0.100 -2.686) 3.056 4.890 ( 1.784 -1.899 -3.062) 4.020 5.036 ( 2.055 2.650 -3.468) 4.824 5.406 ( -0.475 10.600 0.277) 10.614 5.443 ( -0.108 11.080 -0.143) 11.081 5.471 ( -0.178 11.450 0.583) 11.466 5.499 ( 0.200 11.360 -0.168) 11.363 5.606 ( -0.796 8.599 -0.474) 8.649 5.624 ( -0.227 6.990 -0.686) 7.027 5.648 ( -0.069 5.364 1.120) 5.480 5.689 ( 0.105 7.439 0.300) 7.446 5.973 ( -0.666 -13.189 1.241) 13.264 6.016 ( -0.844 -15.385 1.605) 15.492 6.056 ( 0.334 -11.454 -0.586) 11.474 6.099 ( -1.997 -11.249 0.714) 11.447 6.240 ( -1.215 -8.821 -0.855) 8.946 6.328 ( -1.553 -1.654 6.514) 6.897 6.477 ( 1.683 -0.613 -2.508) 3.082 6.763 ( 1.886 1.665 -3.708) 4.481 6.846 ( 4.209 -2.968 -1.030) 5.252 6.907 ( 1.752 -0.028 0.825) 1.937 6.974 ( -1.828 -2.285 -1.240) 3.178 7.005 ( -1.371 2.613 0.248) 2.962 ======================= Grid point 109 (47/115) ======================= q-point: (-0.33 -0.78 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.062 1.957 1.389) 2.401 1.237 ( -1.441 -0.782 2.843) 3.282 1.265 ( 1.560 -5.212 -0.236) 5.446 1.306 ( -5.342 -2.394 6.571) 8.801 1.347 ( 1.361 -0.374 -0.112) 1.416 1.495 ( -3.093 -4.501 -3.511) 6.492 1.510 ( 0.156 -0.142 0.006) 0.211 1.608 ( 0.140 -1.003 1.723) 1.998 1.704 ( -2.831 -1.025 3.971) 4.983 1.749 ( -1.761 -3.938 2.547) 5.010 1.804 ( 3.701 1.873 -0.388) 4.166 1.875 ( 1.224 -3.500 -0.390) 3.728 1.918 ( 0.118 -0.069 -1.281) 1.289 1.966 ( 0.421 -6.088 -0.560) 6.128 1.994 ( -1.833 -1.945 1.314) 2.978 2.041 ( -0.257 -1.677 1.102) 2.023 2.125 ( -2.142 -4.827 1.136) 5.402 2.179 ( -0.670 0.455 0.964) 1.259 2.214 ( 0.976 0.616 2.247) 2.526 2.287 ( -0.595 3.357 -1.316) 3.654 2.409 ( -1.892 -0.416 -1.242) 2.301 2.431 ( 2.205 -0.528 -0.023) 2.267 2.558 ( 4.235 2.824 -4.507) 6.798 2.584 ( 1.004 2.036 -3.946) 4.553 2.789 ( 0.195 -1.403 -0.085) 1.419 2.830 ( -0.498 -1.103 0.929) 1.526 2.985 ( 4.542 -0.508 -3.364) 5.675 3.055 ( -0.296 -0.196 -3.404) 3.423 3.259 ( 0.007 -10.707 0.829) 10.739 3.379 ( 1.462 -7.043 -1.746) 7.402 3.401 ( 0.516 -7.870 -1.258) 7.987 3.408 ( -0.013 -5.515 -0.620) 5.550 3.495 ( -0.442 -6.131 0.420) 6.162 3.545 ( 0.289 -6.790 -1.546) 6.970 3.554 ( 0.728 -6.122 -0.784) 6.215 3.611 ( 0.918 -5.569 -1.642) 5.878 3.896 ( -1.848 0.333 2.246) 2.928 3.973 ( -1.155 0.462 3.007) 3.254 4.037 ( 0.582 -2.732 -1.266) 3.066 4.053 ( 0.240 -2.552 -0.021) 2.563 4.311 ( 0.987 -0.086 1.263) 1.606 4.328 ( -1.964 -0.527 1.227) 2.375 4.381 ( -0.256 -0.396 0.517) 0.700 4.445 ( 0.042 0.952 -0.344) 1.013 4.568 ( -1.507 1.111 2.665) 3.257 4.605 ( -3.005 0.772 4.009) 5.070 4.633 ( -0.713 -0.912 1.312) 1.749 4.644 ( -1.224 -0.216 2.523) 2.812 4.670 ( -0.085 -0.010 0.394) 0.403 4.834 ( 1.428 -0.106 -2.623) 2.988 4.932 ( 2.272 -2.431 -3.737) 5.004 4.981 ( 2.239 2.899 -3.660) 5.178 5.240 ( -0.243 5.221 0.454) 5.246 5.273 ( 0.054 5.393 -0.025) 5.393 5.294 ( -0.055 5.413 0.268) 5.420 5.317 ( 0.184 6.318 -0.271) 6.327 5.470 ( -0.414 4.141 -0.062) 4.162 5.507 ( 0.206 3.766 -0.696) 3.836 5.550 ( 0.450 3.207 0.603) 3.294 5.565 ( -0.929 3.660 0.549) 3.816 6.117 ( -1.320 -0.861 2.495) 2.951 6.152 ( -0.588 -4.710 1.730) 5.052 6.244 ( -2.186 -6.217 0.264) 6.595 6.283 ( 0.742 -5.564 -0.648) 5.651 6.331 ( -1.468 -1.702 4.217) 4.779 6.455 ( 0.763 -5.914 -0.236) 5.967 6.488 ( 0.180 -0.260 -2.186) 2.209 6.735 ( 2.407 0.643 -4.089) 4.789 6.891 ( 2.658 1.379 0.898) 3.126 6.911 ( -3.647 2.640 0.419) 4.521 6.932 ( 0.874 -1.034 -0.095) 1.357 7.031 ( 0.985 -2.652 -1.622) 3.261 ======================= Grid point 110 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 2.604 7.358 3.630) 8.608 1.154 ( -2.453 7.668 5.657) 9.840 1.322 ( -0.367 2.895 0.294) 2.933 1.341 ( -3.463 -1.549 1.989) 4.283 1.363 ( -0.000 -1.744 -0.409) 1.791 1.473 ( 0.119 3.162 0.036) 3.164 1.531 ( -2.089 -1.170 -2.017) 3.131 1.606 ( -2.726 1.634 4.905) 5.845 1.702 ( -0.390 0.750 -1.498) 1.720 1.786 ( 2.234 1.621 0.645) 2.835 1.816 ( 0.126 -2.466 1.240) 2.763 1.868 ( -0.108 3.254 -0.774) 3.347 1.904 ( -0.328 2.018 1.106) 2.325 1.989 ( -0.083 2.220 0.391) 2.256 2.041 ( -1.717 -0.823 -0.475) 1.963 2.064 ( 1.607 4.672 -0.874) 5.017 2.122 ( -0.747 0.299 1.216) 1.458 2.147 ( -1.042 1.402 2.467) 3.022 2.211 ( 0.892 1.158 0.223) 1.478 2.272 ( -3.564 -3.124 1.058) 4.856 2.363 ( -0.751 2.652 -0.954) 2.917 2.429 ( 1.868 3.319 1.278) 4.017 2.529 ( 2.557 0.167 -6.304) 6.805 2.590 ( 3.220 -2.930 -4.110) 5.987 2.801 ( -0.398 0.086 -0.111) 0.422 2.836 ( -0.592 0.449 1.047) 1.284 2.999 ( 5.104 0.878 -4.199) 6.667 3.045 ( -0.521 -0.039 -2.534) 2.587 3.297 ( -0.640 7.889 -0.271) 7.919 3.353 ( 1.477 9.562 1.082) 9.736 3.382 ( 1.256 7.128 -2.233) 7.575 3.422 ( 0.426 6.119 -0.926) 6.203 3.491 ( -0.397 6.338 0.214) 6.354 3.555 ( 0.281 5.402 -1.197) 5.540 3.564 ( 1.053 5.672 -0.862) 5.833 3.596 ( 0.560 6.644 -1.505) 6.835 3.869 ( -1.149 2.320 2.403) 3.532 3.950 ( -1.102 1.952 3.459) 4.122 4.057 ( 0.037 0.601 -2.134) 2.217 4.075 ( -0.426 0.449 -0.445) 0.762 4.324 ( 0.562 -0.366 1.534) 1.674 4.335 ( -1.292 -0.613 0.893) 1.686 4.375 ( -0.198 0.956 0.900) 1.327 4.421 ( 0.065 1.385 -0.376) 1.437 4.545 ( -2.146 1.047 3.405) 4.159 4.623 ( -2.266 -2.457 3.783) 5.048 4.634 ( -1.421 0.846 1.416) 2.178 4.641 ( -0.860 0.165 2.388) 2.544 4.671 ( -0.167 -0.134 0.028) 0.216 4.832 ( 1.676 0.286 -2.633) 3.134 4.931 ( 2.043 2.342 -3.304) 4.536 4.984 ( 2.307 -2.857 -3.955) 5.397 5.253 ( 0.255 -6.502 0.478) 6.524 5.271 ( -0.680 -5.400 0.229) 5.447 5.298 ( 0.365 -4.537 -0.163) 4.555 5.308 ( -0.043 -6.513 -0.214) 6.517 5.473 ( -0.015 -4.795 0.364) 4.808 5.500 ( 0.315 -3.361 -0.143) 3.379 5.563 ( -0.041 -3.885 0.096) 3.886 5.578 ( -0.515 -4.602 0.185) 4.635 6.119 ( -1.110 1.244 1.881) 2.513 6.161 ( -0.598 4.207 1.693) 4.574 6.249 ( -2.341 4.575 0.679) 5.184 6.308 ( 0.148 2.711 2.029) 3.390 6.324 ( -0.974 3.371 1.250) 3.725 6.454 ( -1.580 2.878 -1.455) 3.591 6.467 ( 2.568 4.105 -0.531) 4.871 6.743 ( 2.304 -0.821 -4.861) 5.442 6.796 ( -0.333 5.377 1.571) 5.611 6.922 ( -0.043 -0.866 0.468) 0.985 6.937 ( 0.165 0.399 -0.406) 0.592 7.071 ( 0.829 -1.144 -1.244) 1.883 ======================= Grid point 111 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 6.724 10.047 6.125) 13.553 0.982 ( -2.421 10.774 9.407) 14.506 1.221 ( -1.670 6.181 -3.641) 7.366 1.300 ( -5.980 4.238 3.014) 7.925 1.335 ( -2.268 2.615 -2.580) 4.317 1.426 ( 2.601 2.851 0.255) 3.867 1.510 ( -0.429 3.328 4.988) 6.011 1.547 ( -2.060 4.151 2.097) 5.086 1.652 ( 0.212 4.673 -1.575) 4.936 1.740 ( 0.177 6.645 0.598) 6.675 1.760 ( 0.539 9.296 -0.551) 9.328 1.818 ( -0.328 5.112 -0.910) 5.203 1.844 ( -2.807 -0.323 0.448) 2.861 1.904 ( -0.341 5.987 -0.046) 5.997 1.927 ( -0.515 4.498 -1.630) 4.812 1.965 ( -0.626 10.798 2.690) 11.145 2.059 ( -1.919 -0.230 -1.149) 2.248 2.184 ( -1.786 -0.188 1.252) 2.189 2.226 ( -0.011 1.649 1.319) 2.112 2.281 ( 2.492 -1.423 0.567) 2.925 2.336 ( -0.871 5.052 1.184) 5.261 2.369 ( 0.547 -0.135 -0.015) 0.563 2.515 ( 4.207 1.483 -6.003) 7.478 2.625 ( 2.991 3.265 -3.842) 5.863 2.783 ( -0.930 1.400 -0.161) 1.688 2.814 ( -1.155 2.415 1.426) 3.033 2.955 ( -0.305 8.689 -1.389) 8.805 2.968 ( 3.162 9.066 -1.952) 9.797 3.029 ( -1.922 11.947 -0.899) 12.134 3.092 ( 2.922 17.811 1.183) 18.088 3.186 ( 2.325 10.395 -3.615) 11.248 3.221 ( 0.236 12.687 -2.933) 13.023 3.308 ( 0.570 10.263 0.205) 10.281 3.369 ( 0.532 11.456 -0.517) 11.480 3.396 ( 1.384 10.007 -1.068) 10.158 3.423 ( 0.884 8.149 -2.794) 8.660 3.834 ( -0.374 1.498 3.334) 3.674 3.926 ( -0.668 1.037 3.365) 3.584 4.010 ( -0.858 2.753 -2.007) 3.514 4.045 ( -0.892 1.438 -0.693) 1.828 4.338 ( -2.358 -0.623 0.533) 2.496 4.341 ( 1.030 0.042 0.651) 1.219 4.362 ( -0.536 0.163 0.936) 1.091 4.407 ( 1.584 0.090 0.495) 1.662 4.528 ( -1.175 1.023 3.509) 3.839 4.597 ( -1.375 2.418 1.459) 3.141 4.652 ( 0.024 -1.139 0.824) 1.406 4.670 ( -1.669 -1.564 2.469) 3.365 4.692 ( -2.577 -2.893 1.898) 4.315 4.828 ( 2.094 0.262 -2.942) 3.621 4.893 ( 1.334 1.567 -2.140) 2.969 5.036 ( 2.258 -2.526 -3.715) 5.028 5.431 ( -0.543 -10.683 0.036) 10.697 5.449 ( -0.126 -11.521 0.000) 11.522 5.463 ( -0.077 -11.241 0.607) 11.258 5.495 ( 0.091 -11.658 -0.160) 11.660 5.621 ( 0.016 -8.021 0.278) 8.026 5.624 ( 0.430 -8.361 0.318) 8.378 5.659 ( -0.194 -5.270 0.054) 5.274 5.682 ( -0.498 -4.810 -0.077) 4.836 5.955 ( 0.058 15.332 1.370) 15.393 6.023 ( -0.462 16.799 0.116) 16.805 6.070 ( -1.298 6.017 1.633) 6.368 6.151 ( -0.476 12.561 -0.227) 12.572 6.284 ( -1.026 1.756 2.406) 3.151 6.342 ( -5.455 5.258 0.925) 7.633 6.423 ( 2.844 1.340 -1.700) 3.574 6.724 ( 3.130 2.413 2.589) 4.725 6.745 ( 2.735 1.143 -4.575) 5.452 6.903 ( -0.949 0.958 -2.963) 3.255 6.959 ( 1.434 -1.006 2.244) 2.847 7.070 ( -0.981 0.833 -0.996) 1.627 ======================= Grid point 115 (50/115) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 8.267 0.000 7.873) 11.416 0.687 ( 1.536 0.000 8.265) 8.406 0.718 ( 0.933 0.000 -8.417) 8.469 0.731 ( 1.105 0.000 1.605) 1.948 0.898 ( -10.500 -0.000 -0.879) 10.537 0.903 ( -13.107 -0.000 7.559) 15.130 1.162 ( 8.056 0.000 8.801) 11.932 1.233 ( -0.942 -0.000 -1.054) 1.413 1.326 ( 1.378 0.000 -4.465) 4.673 1.378 ( -0.598 -0.000 2.811) 2.874 1.418 ( 0.589 0.000 0.325) 0.673 1.459 ( -3.947 -0.000 0.472) 3.976 1.497 ( -3.256 -0.000 -0.257) 3.266 1.606 ( -6.292 -0.000 4.361) 7.655 1.629 ( 3.603 0.000 -0.103) 3.605 1.708 ( -1.316 -0.000 0.732) 1.506 1.834 ( -0.771 -0.000 -3.449) 3.534 1.897 ( -1.063 -0.000 7.789) 7.861 1.973 ( 1.857 0.000 -5.582) 5.883 2.003 ( 0.445 0.000 0.702) 0.831 2.194 ( 2.188 0.000 -0.498) 2.244 2.214 ( -1.056 -0.000 -0.638) 1.234 2.220 ( -0.361 -0.000 -2.072) 2.103 2.378 ( -0.585 -0.000 1.898) 1.987 2.419 ( 1.754 0.000 -1.484) 2.297 2.605 ( 0.745 0.000 -0.674) 1.005 2.627 ( 4.391 0.000 -2.162) 4.894 2.667 ( 0.328 0.000 1.461) 1.497 2.689 ( -2.636 -0.000 1.074) 2.846 2.747 ( 3.123 0.000 -1.633) 3.524 2.928 ( 5.952 0.000 -8.349) 10.253 3.028 ( 0.273 0.000 -5.915) 5.922 3.044 ( -3.961 -0.000 2.482) 4.675 3.112 ( -0.975 -0.000 0.600) 1.144 3.344 ( 4.983 0.000 -7.169) 8.731 3.415 ( 1.281 0.000 -5.767) 5.907 3.890 ( 0.740 0.000 3.272) 3.355 3.933 ( -2.222 -0.000 2.986) 3.722 4.020 ( 2.189 0.000 -4.123) 4.668 4.036 ( 1.618 0.000 -2.167) 2.705 4.322 ( -1.910 -0.000 1.733) 2.579 4.336 ( 0.254 0.000 -0.150) 0.295 4.375 ( 2.134 0.000 -2.586) 3.353 4.395 ( -2.848 -0.000 4.353) 5.202 4.481 ( -2.309 -0.000 2.855) 3.672 4.561 ( 1.859 0.000 -0.399) 1.902 4.667 ( -0.044 -0.000 -2.010) 2.011 4.741 ( -3.997 -0.000 4.501) 6.019 4.790 ( 4.050 0.000 -4.608) 6.135 4.827 ( -3.799 -0.000 1.380) 4.042 4.879 ( -3.233 -0.000 0.004) 3.233 4.981 ( -2.144 -0.000 1.656) 2.709 5.103 ( 1.164 0.000 -0.710) 1.364 5.157 ( 1.506 0.000 -0.113) 1.510 5.171 ( -4.168 -0.000 1.771) 4.529 5.181 ( -0.646 -0.000 -0.412) 0.766 5.823 ( -0.339 -0.000 0.478) 0.586 5.892 ( 0.816 0.000 -1.111) 1.379 5.939 ( -0.043 -0.000 -0.036) 0.056 5.953 ( 0.488 0.000 0.129) 0.505 5.959 ( -0.387 -0.000 0.634) 0.743 5.966 ( -0.411 -0.000 -0.407) 0.578 5.975 ( -1.361 -0.000 1.757) 2.222 6.054 ( 0.410 0.000 -0.425) 0.590 6.084 ( -1.974 -0.000 3.641) 4.141 6.289 ( 1.333 0.000 4.366) 4.565 6.446 ( 3.956 0.000 -3.316) 5.161 6.670 ( 5.110 0.000 -1.355) 5.287 6.833 ( -0.208 -0.000 -1.326) 1.342 6.868 ( -4.497 -0.000 -1.869) 4.870 7.033 ( 3.318 0.000 -4.620) 5.688 7.063 ( 2.219 0.000 1.113) 2.482 ======================= Grid point 116 (51/115) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 4.015 -5.455 -5.468) 8.705 0.797 ( 0.994 -6.378 10.854) 12.629 0.864 ( -9.604 -6.362 6.163) 13.064 0.946 ( 4.011 -17.020 4.416) 18.036 0.979 ( 1.531 -19.800 -0.257) 19.861 1.034 ( -8.887 -14.524 0.215) 17.029 1.226 ( 1.894 -2.972 5.035) 6.146 1.265 ( -0.432 -1.299 -3.561) 3.815 1.374 ( -3.314 -7.078 -2.218) 8.124 1.394 ( -1.656 -1.608 0.783) 2.438 1.422 ( 1.627 -4.469 0.346) 4.768 1.521 ( 0.020 -6.302 2.737) 6.871 1.562 ( -1.563 -1.201 0.462) 2.025 1.665 ( -4.402 -6.597 2.040) 8.188 1.752 ( 1.115 -15.890 1.548) 16.004 1.861 ( -1.678 -14.052 -0.088) 14.152 1.903 ( 2.345 -4.488 0.746) 5.119 1.931 ( -1.249 -1.931 4.596) 5.139 1.964 ( 1.080 0.745 0.682) 1.479 1.981 ( -1.311 -2.374 -1.680) 3.190 2.234 ( 0.950 -3.451 -1.316) 3.813 2.241 ( 0.720 -4.101 -2.672) 4.947 2.306 ( 0.693 -6.957 -0.883) 7.047 2.430 ( -0.521 -5.195 1.564) 5.451 2.490 ( 2.103 -5.894 -1.423) 6.417 2.620 ( 0.931 -1.870 -0.578) 2.167 2.652 ( 1.808 -1.304 0.654) 2.323 2.695 ( -1.184 -2.672 0.225) 2.931 2.724 ( 0.478 -4.801 0.310) 4.835 2.793 ( 1.639 -4.657 -1.867) 5.278 2.932 ( 4.792 0.240 -5.952) 7.645 2.982 ( -1.460 1.879 -2.419) 3.393 3.064 ( -0.860 -2.686 -2.118) 3.527 3.129 ( 0.160 -2.356 -0.442) 2.402 3.326 ( 4.682 2.027 -6.621) 8.358 3.375 ( 1.113 2.642 -5.864) 6.527 3.896 ( -0.167 0.380 1.976) 2.019 3.930 ( -2.450 -0.242 3.019) 3.896 3.969 ( 1.335 3.399 -1.883) 4.108 4.007 ( 0.276 1.790 -1.663) 2.459 4.322 ( -1.336 -0.209 0.800) 1.571 4.332 ( 0.571 0.395 0.828) 1.081 4.352 ( 0.139 0.612 0.461) 0.779 4.457 ( -1.035 -3.471 1.871) 4.077 4.501 ( -1.527 -1.413 2.561) 3.300 4.556 ( 0.577 0.625 0.024) 0.851 4.667 ( 0.138 -0.111 -1.623) 1.633 4.714 ( -4.187 1.707 3.128) 5.498 4.748 ( -0.942 3.188 2.211) 3.993 4.829 ( 2.216 -0.482 -2.914) 3.693 4.866 ( -1.708 0.149 -0.813) 1.897 5.089 ( 1.196 -3.113 -1.884) 3.830 5.173 ( -0.430 -12.161 0.037) 12.169 5.262 ( -1.402 -14.239 3.011) 14.621 5.327 ( 0.551 -14.832 -0.101) 14.843 5.353 ( -1.048 -15.850 -1.394) 15.946 5.772 ( -0.844 5.469 0.406) 5.549 5.831 ( 0.218 6.413 -0.629) 6.447 5.865 ( -0.538 7.490 0.893) 7.562 5.891 ( -0.133 6.263 -0.106) 6.266 5.912 ( -0.544 4.481 -0.240) 4.520 5.918 ( -0.786 2.979 -0.288) 3.095 5.940 ( -0.033 3.697 1.534) 4.003 5.999 ( -0.105 4.542 0.468) 4.568 6.132 ( -1.402 -2.452 2.308) 3.647 6.312 ( 0.350 -0.154 5.384) 5.398 6.461 ( 2.948 -0.511 -3.190) 4.374 6.719 ( 5.206 -2.413 -0.934) 5.813 6.824 ( 1.960 1.130 -2.331) 3.249 6.859 ( -4.567 -2.287 -0.567) 5.139 6.993 ( 2.545 3.579 -2.385) 4.998 7.067 ( 0.348 0.568 -0.010) 0.666 ======================= Grid point 117 (52/115) ======================= q-point: (-0.44 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 4.882 -9.083 -2.722) 10.665 0.949 ( -9.683 -7.838 6.224) 13.927 1.002 ( 0.594 -9.330 7.858) 12.213 1.192 ( -8.158 -7.336 -0.759) 10.997 1.259 ( 3.851 -8.843 3.284) 10.189 1.283 ( 0.155 -3.020 -3.507) 4.631 1.365 ( 1.856 -8.377 1.189) 8.662 1.402 ( -0.201 -15.667 0.986) 15.699 1.487 ( 0.009 -9.282 0.428) 9.292 1.527 ( -1.691 -10.716 0.454) 10.858 1.568 ( -0.891 -9.172 2.533) 9.557 1.589 ( -1.160 -4.906 -1.016) 5.143 1.717 ( 0.098 -11.515 -0.974) 11.557 1.771 ( -3.549 -5.968 4.866) 8.479 1.884 ( -1.517 0.538 7.265) 7.441 1.927 ( 2.534 0.579 -4.490) 5.188 2.022 ( -0.373 -2.497 -1.179) 2.787 2.025 ( 0.851 -3.996 4.257) 5.900 2.164 ( -1.149 -13.493 -0.894) 13.572 2.235 ( 0.455 -21.931 0.869) 21.953 2.292 ( -0.108 -2.661 -1.043) 2.860 2.342 ( 0.437 -4.940 -2.347) 5.487 2.423 ( 1.343 -4.204 -1.318) 4.606 2.566 ( 3.308 -5.998 -1.973) 7.129 2.626 ( -1.350 -8.019 0.787) 8.169 2.693 ( 0.236 -6.662 1.119) 6.759 2.745 ( 0.006 -5.787 0.514) 5.809 2.779 ( 0.583 -8.036 -1.524) 8.200 2.886 ( -0.891 -11.590 -1.688) 11.746 2.942 ( 1.546 -9.645 -3.451) 10.360 2.959 ( 1.788 -3.931 -1.511) 4.576 2.967 ( 1.148 -4.560 -0.474) 4.727 3.136 ( 0.642 -6.326 -2.825) 6.958 3.215 ( 1.494 -6.768 -2.021) 7.219 3.301 ( 2.861 -0.426 -4.532) 5.376 3.311 ( 0.956 1.623 -4.790) 5.147 3.894 ( -1.606 -0.044 1.586) 2.258 3.935 ( -1.502 -0.841 1.503) 2.285 3.945 ( 0.286 -0.565 1.454) 1.586 3.989 ( 0.061 -0.337 -0.903) 0.966 4.319 ( -0.681 0.125 0.710) 0.992 4.336 ( 0.768 0.387 1.293) 1.553 4.346 ( -0.300 -0.217 0.305) 0.479 4.494 ( -0.274 1.195 -0.523) 1.333 4.526 ( -1.227 -3.191 2.251) 4.093 4.572 ( -1.226 -1.909 2.221) 3.175 4.643 ( -1.812 2.066 0.757) 2.850 4.672 ( -0.049 1.198 -0.521) 1.307 4.708 ( -1.998 1.893 5.553) 6.198 4.836 ( 1.724 0.096 -2.907) 3.382 4.861 ( 0.642 -0.919 -2.268) 2.530 5.078 ( 1.881 1.733 -3.299) 4.175 5.512 ( -0.524 -15.427 0.931) 15.464 5.604 ( -0.402 -16.668 1.699) 16.759 5.624 ( 0.333 4.212 0.335) 4.239 5.635 ( -0.991 -0.544 -1.256) 1.690 5.654 ( 0.430 -4.094 0.111) 4.118 5.691 ( -0.133 7.167 0.923) 7.228 5.710 ( 0.040 -4.469 -0.683) 4.522 5.733 ( 0.064 7.196 -0.166) 7.198 5.797 ( 0.034 4.609 -0.497) 4.636 5.844 ( -0.866 0.296 -0.828) 1.235 5.875 ( -0.047 1.805 1.032) 2.080 5.897 ( -1.287 3.555 1.065) 3.927 6.163 ( -1.520 -1.196 2.059) 2.825 6.330 ( -0.964 -0.088 6.391) 6.464 6.469 ( 1.408 -0.214 -3.256) 3.554 6.780 ( 1.723 -0.265 -2.929) 3.408 6.820 ( 5.941 -1.417 -0.749) 6.154 6.899 ( -2.455 -3.426 -0.170) 4.218 6.935 ( 0.392 2.245 -0.790) 2.411 7.043 ( -1.508 1.600 -0.792) 2.337 ======================= Grid point 118 (53/115) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -6.966 -7.236 3.481) 10.630 1.114 ( 4.798 -8.575 -1.350) 9.918 1.187 ( -0.640 -6.700 5.302) 8.568 1.252 ( -7.307 -3.673 1.717) 8.356 1.341 ( -0.562 -3.366 -1.559) 3.751 1.381 ( 2.777 -2.815 0.626) 4.003 1.478 ( 0.702 -3.525 0.913) 3.708 1.563 ( 1.679 -4.638 -0.646) 4.975 1.639 ( -5.078 -4.736 2.473) 7.371 1.692 ( -1.635 -3.237 3.702) 5.182 1.738 ( 1.906 -10.936 0.699) 11.123 1.790 ( 1.737 -8.729 -0.015) 8.900 1.851 ( 1.092 -3.494 -1.337) 3.897 1.903 ( -1.201 -5.207 5.304) 7.529 1.913 ( -0.154 -1.939 -2.633) 3.274 1.970 ( -1.739 -7.057 2.253) 7.609 2.043 ( -0.111 -1.222 -1.619) 2.031 2.116 ( -0.180 -4.082 4.098) 5.787 2.256 ( -0.842 1.877 -0.884) 2.239 2.336 ( -0.642 -4.672 -1.052) 4.832 2.363 ( 2.013 1.491 -0.868) 2.651 2.437 ( -0.589 0.382 -0.662) 0.965 2.574 ( 0.624 -5.098 -2.294) 5.625 2.620 ( 3.697 1.290 -4.703) 6.120 2.742 ( -0.811 -4.081 -0.469) 4.187 2.796 ( 0.354 -2.625 1.602) 3.095 2.939 ( 0.490 -10.128 -0.681) 10.163 2.958 ( -0.004 -14.964 0.891) 14.991 3.026 ( 2.101 -2.183 -3.893) 4.933 3.160 ( 2.012 -14.683 -2.625) 15.051 3.174 ( 1.520 -12.648 -2.597) 13.001 3.183 ( 0.027 -15.081 -0.613) 15.093 3.308 ( -0.145 -10.831 -0.236) 10.835 3.357 ( 0.467 -9.445 -2.035) 9.673 3.377 ( 1.069 -10.147 -1.836) 10.367 3.426 ( 0.952 -10.969 -1.945) 11.180 3.889 ( -2.587 -0.253 1.848) 3.189 3.961 ( -2.250 -1.517 2.860) 3.943 3.986 ( 1.572 -2.715 -0.176) 3.143 4.009 ( 0.572 -1.727 -0.100) 1.822 4.317 ( -1.036 -0.109 0.990) 1.437 4.329 ( 1.138 0.809 1.517) 2.062 4.363 ( -0.313 -1.203 0.398) 1.305 4.462 ( -0.624 1.281 -0.881) 1.675 4.585 ( -1.819 -2.565 1.472) 3.472 4.598 ( -0.244 1.683 1.929) 2.571 4.610 ( -2.917 -1.484 2.362) 4.036 4.649 ( -0.157 1.024 1.217) 1.599 4.684 ( -1.080 1.229 3.628) 3.980 4.831 ( 1.351 0.073 -2.842) 3.148 4.890 ( 1.837 -2.013 -3.078) 4.111 5.036 ( 2.100 2.598 -3.473) 4.818 5.407 ( 0.164 10.601 0.511) 10.615 5.441 ( -0.117 10.939 -0.301) 10.944 5.471 ( -0.536 11.408 0.468) 11.431 5.499 ( 0.122 11.281 -0.174) 11.283 5.601 ( 0.375 8.628 -0.274) 8.641 5.616 ( -0.229 7.057 -0.780) 7.104 5.655 ( -0.080 5.282 1.161) 5.409 5.690 ( -0.193 7.766 0.236) 7.772 5.973 ( -0.829 -13.454 1.178) 13.531 6.017 ( -0.890 -15.049 1.814) 15.184 6.061 ( 1.328 -12.389 -0.794) 12.486 6.087 ( -1.287 -10.822 0.805) 10.928 6.226 ( -0.869 -8.346 -0.016) 8.391 6.353 ( -1.502 -1.477 6.281) 6.625 6.469 ( 0.411 -0.620 -3.246) 3.330 6.760 ( 2.118 1.342 -3.786) 4.541 6.884 ( 1.185 -0.904 0.319) 1.524 6.913 ( 0.171 -1.095 0.031) 1.108 6.959 ( 0.396 -2.082 -0.821) 2.273 6.990 ( -0.959 1.751 -0.619) 2.090 ======================= Grid point 119 (54/115) ======================= q-point: (-0.22 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -1.736 -1.063 1.456) 2.503 1.226 ( -3.292 -1.138 1.886) 3.961 1.276 ( -0.166 -3.003 1.604) 3.409 1.312 ( -0.313 -3.753 4.498) 5.867 1.372 ( 1.978 0.845 1.063) 2.399 1.444 ( -2.011 -4.013 -1.428) 4.710 1.505 ( -0.783 0.506 -0.492) 1.054 1.618 ( -0.831 -0.323 2.468) 2.624 1.679 ( -2.917 -2.353 0.096) 3.749 1.762 ( -0.270 -3.170 2.343) 3.951 1.839 ( 2.529 1.219 0.424) 2.840 1.887 ( 1.727 -2.580 -1.097) 3.293 1.914 ( -0.185 -0.450 0.645) 0.808 1.952 ( -2.220 -4.648 -0.274) 5.158 2.008 ( 1.681 -2.865 2.361) 4.076 2.045 ( -0.042 -1.909 0.647) 2.016 2.105 ( -1.609 -5.204 -0.768) 5.501 2.176 ( -1.065 0.608 1.037) 1.606 2.237 ( 0.708 -1.007 2.693) 2.961 2.273 ( -1.622 5.485 -0.576) 5.749 2.387 ( -0.953 0.103 -0.253) 0.991 2.442 ( 0.741 -1.666 -1.250) 2.211 2.563 ( 2.242 2.481 -4.467) 5.580 2.576 ( 2.461 2.220 -4.462) 5.558 2.787 ( -0.299 -1.370 -0.225) 1.420 2.834 ( -0.033 -0.836 1.121) 1.399 3.015 ( 2.346 -1.433 -1.784) 3.277 3.030 ( 2.192 0.587 -4.964) 5.458 3.270 ( 0.640 -10.838 1.246) 10.928 3.382 ( 1.188 -7.056 -1.937) 7.413 3.397 ( -0.425 -6.029 -0.890) 6.109 3.405 ( 0.791 -7.304 -0.898) 7.401 3.491 ( -0.643 -6.337 0.282) 6.376 3.541 ( 0.679 -6.480 -1.263) 6.637 3.560 ( 1.300 -6.465 -0.732) 6.635 3.605 ( 0.155 -5.600 -2.045) 5.964 3.889 ( -2.081 -0.171 2.012) 2.900 3.977 ( -1.969 -0.089 3.048) 3.630 4.036 ( 1.123 -1.884 -1.448) 2.628 4.059 ( 0.539 -2.062 0.360) 2.162 4.317 ( -1.742 -0.209 1.419) 2.257 4.335 ( 1.601 -0.187 1.556) 2.241 4.382 ( -0.400 -0.519 0.457) 0.799 4.438 ( -0.661 0.700 -0.811) 1.259 4.570 ( -1.284 1.423 2.805) 3.398 4.594 ( -3.661 -0.021 3.879) 5.334 4.631 ( -0.913 -0.889 1.115) 1.693 4.650 ( -0.744 -0.007 2.458) 2.568 4.672 ( -0.275 0.313 0.723) 0.834 4.832 ( 1.480 -0.230 -2.697) 3.085 4.932 ( 2.163 -2.396 -3.672) 4.889 4.982 ( 2.322 2.897 -3.661) 5.214 5.244 ( 0.261 5.236 0.591) 5.276 5.272 ( -0.033 5.359 -0.065) 5.359 5.291 ( -0.688 5.456 0.136) 5.501 5.319 ( 0.336 6.247 -0.193) 6.259 5.470 ( 0.353 4.156 0.054) 4.171 5.505 ( 0.377 3.317 -0.818) 3.437 5.550 ( -1.233 3.683 0.578) 3.926 5.567 ( 0.606 3.640 0.563) 3.733 6.119 ( -1.309 -0.643 2.555) 2.943 6.159 ( -0.199 -4.875 1.567) 5.124 6.224 ( -2.127 -5.234 1.173) 5.770 6.292 ( 1.590 -6.192 -0.671) 6.428 6.339 ( -1.830 -2.138 3.669) 4.624 6.442 ( -1.576 -3.995 -1.546) 4.564 6.489 ( 1.728 -2.199 -1.297) 3.083 6.736 ( 2.544 0.920 -4.012) 4.839 6.872 ( -4.119 1.472 0.281) 4.383 6.918 ( 1.335 1.532 0.773) 2.174 6.943 ( 1.197 -0.178 0.204) 1.227 7.035 ( 1.560 -2.682 -1.604) 3.493 ======================= Grid point 120 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 3.451 4.490 3.386) 6.598 1.170 ( -1.683 6.479 6.230) 9.145 1.297 ( -3.086 1.341 -0.361) 3.385 1.331 ( -1.218 2.550 0.048) 2.826 1.362 ( 0.571 1.234 0.921) 1.642 1.479 ( 0.992 1.271 0.181) 1.622 1.496 ( -2.662 -2.873 -0.949) 4.030 1.605 ( -3.573 1.620 5.668) 6.893 1.698 ( 1.136 0.460 -0.982) 1.571 1.796 ( -0.699 -0.252 -1.779) 1.928 1.814 ( -0.958 2.126 0.475) 2.380 1.872 ( 0.514 1.708 0.585) 1.877 1.907 ( 0.007 3.092 1.249) 3.335 1.985 ( -1.165 0.453 0.661) 1.413 2.025 ( -0.251 1.808 -0.917) 2.043 2.067 ( -0.345 6.094 -1.047) 6.193 2.126 ( 0.291 -0.471 0.869) 1.030 2.149 ( -1.671 2.167 3.280) 4.271 2.199 ( -1.083 -2.622 -2.049) 3.499 2.282 ( 1.786 -0.970 4.059) 4.540 2.355 ( -0.335 1.860 -0.647) 1.998 2.443 ( 0.234 2.867 0.140) 2.880 2.521 ( 3.678 0.164 -6.587) 7.546 2.597 ( 2.958 -3.617 -3.900) 6.086 2.793 ( -0.798 0.358 -0.275) 0.916 2.837 ( -0.628 0.706 1.271) 1.584 3.007 ( 0.615 1.007 -4.374) 4.530 3.043 ( 3.751 -0.176 -2.436) 4.476 3.288 ( -1.017 9.749 -0.047) 9.802 3.375 ( 1.477 7.890 -0.499) 8.043 3.383 ( 1.372 6.744 -0.763) 6.925 3.418 ( 0.132 6.307 -1.312) 6.444 3.488 ( -0.331 6.247 0.459) 6.272 3.551 ( 0.324 5.430 -0.865) 5.508 3.573 ( 1.623 5.758 -1.233) 6.108 3.589 ( 0.128 6.419 -1.475) 6.588 3.876 ( -0.610 1.571 2.770) 3.242 3.961 ( -1.098 1.557 3.332) 3.839 4.043 ( 0.066 1.184 -2.131) 2.439 4.067 ( -0.506 1.186 -0.559) 1.405 4.316 ( -2.117 -0.375 1.169) 2.447 4.353 ( 1.332 -0.162 1.414) 1.950 4.375 ( -0.518 0.972 0.321) 1.147 4.421 ( 0.493 0.631 -0.282) 0.849 4.548 ( -1.465 0.861 3.528) 3.916 4.615 ( -3.499 -2.343 4.192) 5.942 4.632 ( -0.842 0.665 1.216) 1.621 4.648 ( -0.778 0.248 2.205) 2.351 4.670 ( -0.200 0.043 0.002) 0.205 4.833 ( 1.669 0.152 -2.552) 3.053 4.932 ( 2.071 2.370 -3.400) 4.633 4.983 ( 2.279 -2.855 -3.921) 5.359 5.259 ( -0.227 -6.519 0.524) 6.544 5.266 ( -0.170 -4.989 0.165) 4.995 5.293 ( -0.817 -5.494 -0.208) 5.558 5.312 ( 0.759 -5.748 -0.188) 5.801 5.478 ( 0.385 -4.832 0.409) 4.865 5.503 ( 0.517 -3.433 -0.178) 3.477 5.556 ( -1.419 -4.301 0.075) 4.530 5.577 ( -0.025 -3.983 0.179) 3.987 6.119 ( -1.370 1.130 2.097) 2.748 6.164 ( -0.687 4.685 1.012) 4.842 6.234 ( -1.773 3.727 2.021) 4.595 6.318 ( 0.215 3.876 0.075) 3.883 6.322 ( -1.663 3.607 2.515) 4.701 6.428 ( -1.117 2.822 -1.143) 3.243 6.491 ( 2.391 3.912 -0.922) 4.677 6.737 ( 2.409 -0.900 -4.785) 5.432 6.806 ( 0.269 3.390 1.841) 3.867 6.922 ( 0.793 1.266 -1.399) 2.047 6.944 ( 0.048 -1.162 1.537) 1.928 7.066 ( -0.021 -0.522 -1.678) 1.757 ======================= Grid point 125 (56/115) ======================= q-point: (-0.56 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 1.794 0.000 -0.190) 1.803 0.730 ( 7.451 0.000 -2.741) 7.939 0.764 ( -5.492 -0.000 2.642) 6.094 0.789 ( 1.489 0.000 2.661) 3.049 0.790 ( -5.363 -0.000 9.936) 11.291 0.826 ( -5.560 -0.000 8.848) 10.450 1.207 ( -1.570 -0.000 -1.699) 2.314 1.220 ( -5.851 -0.000 -0.940) 5.926 1.285 ( -1.799 -0.000 -5.455) 5.744 1.363 ( -1.253 -0.000 -1.638) 2.063 1.418 ( 2.188 0.000 3.388) 4.034 1.474 ( -0.137 -0.000 1.025) 1.034 1.500 ( 2.690 0.000 4.830) 5.529 1.565 ( -6.301 -0.000 4.134) 7.537 1.647 ( 0.010 0.000 -2.039) 2.039 1.701 ( -0.874 -0.000 0.708) 1.125 1.823 ( 2.144 0.000 -1.269) 2.492 1.938 ( -1.651 -0.000 9.586) 9.727 1.958 ( 2.609 0.000 -6.229) 6.753 2.017 ( 0.522 0.000 1.884) 1.955 2.195 ( -1.469 -0.000 -2.657) 3.036 2.199 ( -0.686 -0.000 -1.201) 1.383 2.220 ( 2.780 0.000 -0.116) 2.783 2.393 ( 0.138 0.000 3.463) 3.466 2.426 ( 1.183 0.000 -1.442) 1.865 2.604 ( 0.205 0.000 -1.741) 1.753 2.651 ( 2.629 0.000 -1.976) 3.289 2.671 ( -1.903 -0.000 1.512) 2.431 2.683 ( 0.411 0.000 1.955) 1.998 2.763 ( 1.890 0.000 -1.814) 2.620 2.944 ( 6.402 0.000 -7.448) 9.821 2.989 ( 0.736 0.000 -7.539) 7.575 3.024 ( -2.460 -0.000 2.293) 3.363 3.107 ( -0.671 -0.000 0.667) 0.946 3.350 ( 4.611 0.000 -7.105) 8.470 3.392 ( 1.707 0.000 -6.433) 6.655 3.902 ( -1.611 -0.000 1.050) 1.923 3.924 ( -2.518 -0.000 3.067) 3.968 4.017 ( 1.696 0.000 -4.253) 4.579 4.031 ( 1.011 0.000 -3.097) 3.258 4.312 ( -1.322 -0.000 0.800) 1.545 4.353 ( 1.791 0.000 1.877) 2.594 4.382 ( 2.043 0.000 -2.133) 2.953 4.395 ( -2.612 -0.000 4.610) 5.298 4.478 ( -2.222 -0.000 3.284) 3.965 4.570 ( 0.809 0.000 -1.044) 1.321 4.659 ( 0.870 0.000 -1.846) 2.040 4.722 ( -3.933 -0.000 3.054) 4.979 4.801 ( 3.481 0.000 -4.684) 5.836 4.816 ( -1.160 -0.000 3.227) 3.429 4.847 ( -2.137 -0.000 -0.829) 2.292 4.974 ( -1.838 -0.000 2.700) 3.267 5.114 ( 0.827 0.000 0.552) 0.995 5.141 ( -2.538 -0.000 -0.084) 2.539 5.159 ( -0.434 -0.000 -1.160) 1.239 5.180 ( 0.743 0.000 0.132) 0.755 5.823 ( -0.266 -0.000 0.542) 0.604 5.893 ( 0.676 0.000 -1.209) 1.385 5.938 ( -0.133 -0.000 0.063) 0.147 5.956 ( -0.134 -0.000 -0.089) 0.161 5.958 ( -0.492 -0.000 0.365) 0.613 5.962 ( 0.309 0.000 -0.136) 0.338 5.976 ( -0.817 -0.000 2.072) 2.227 6.055 ( 0.270 0.000 -0.483) 0.554 6.086 ( -2.041 -0.000 3.662) 4.193 6.331 ( 0.644 0.000 5.974) 6.008 6.459 ( 2.581 0.000 -3.676) 4.491 6.722 ( 5.400 0.000 -0.194) 5.403 6.810 ( -4.582 -0.000 0.175) 4.585 6.842 ( 2.717 0.000 -1.502) 3.104 7.021 ( 0.019 0.000 -4.290) 4.290 7.089 ( 2.254 0.000 -0.888) 2.422 ======================= Grid point 126 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -11.821 -5.287 7.161) 14.797 0.809 ( 5.685 -5.316 -0.202) 7.786 0.854 ( -2.270 -8.635 2.346) 9.231 0.956 ( -5.024 -12.672 4.675) 14.411 1.005 ( 3.850 -19.443 1.575) 19.883 1.035 ( 4.959 -16.074 4.225) 17.345 1.187 ( -10.554 -5.436 -1.446) 11.959 1.238 ( -0.449 -1.889 -3.461) 3.969 1.337 ( -1.121 -8.412 -1.562) 8.629 1.382 ( 0.020 -2.700 -0.526) 2.751 1.460 ( 2.491 -2.560 1.828) 4.012 1.529 ( -1.538 -3.032 2.685) 4.332 1.554 ( -1.552 -2.950 1.183) 3.537 1.659 ( 0.846 -6.627 2.690) 7.202 1.752 ( -2.178 -16.874 0.011) 17.014 1.843 ( -1.024 -12.385 -0.778) 12.452 1.936 ( 3.565 -8.126 -0.177) 8.876 1.950 ( 1.572 0.553 -3.368) 3.757 1.973 ( -1.635 -1.190 9.698) 9.906 1.989 ( 0.643 -0.335 2.239) 2.354 2.218 ( -0.678 -4.162 -3.155) 5.266 2.235 ( 0.068 -3.405 -1.955) 3.927 2.304 ( 0.601 -6.654 -1.474) 6.842 2.439 ( 0.192 -4.806 1.591) 5.066 2.507 ( 1.856 -6.314 0.145) 6.582 2.621 ( -0.145 -2.087 -0.801) 2.240 2.674 ( -0.258 -2.962 -0.207) 2.980 2.682 ( 0.244 -1.231 2.038) 2.393 2.723 ( -0.736 -3.886 -0.670) 4.012 2.796 ( 1.137 -4.232 -1.903) 4.777 2.947 ( 3.675 0.787 -5.560) 6.711 2.957 ( 1.824 0.735 -4.050) 4.502 3.048 ( 0.137 -2.689 -1.266) 2.976 3.128 ( 0.323 -2.555 -0.729) 2.676 3.331 ( 3.934 1.906 -6.462) 7.802 3.353 ( 2.333 2.683 -6.480) 7.391 3.888 ( -2.790 0.227 0.618) 2.867 3.922 ( -2.173 -0.116 2.474) 3.295 3.974 ( 1.689 2.625 -1.630) 3.522 3.997 ( 0.004 1.673 -1.924) 2.549 4.311 ( -1.074 -0.302 0.589) 1.262 4.347 ( -0.121 0.975 0.934) 1.356 4.365 ( 1.811 0.615 1.980) 2.753 4.459 ( -0.783 -3.285 1.621) 3.746 4.498 ( -2.173 -1.428 2.579) 3.662 4.555 ( -0.609 0.786 -0.515) 1.120 4.662 ( 0.749 0.122 -1.138) 1.367 4.696 ( -2.074 1.482 1.995) 3.237 4.760 ( -0.172 2.711 3.288) 4.265 4.834 ( 2.113 -0.400 -2.680) 3.437 4.844 ( -1.047 -0.450 -1.514) 1.895 5.090 ( 1.270 -2.675 -1.883) 3.509 5.172 ( -0.176 -12.524 0.591) 12.539 5.263 ( -1.778 -14.697 2.811) 15.069 5.312 ( -1.236 -14.900 -1.717) 15.049 5.359 ( 1.869 -16.100 -0.055) 16.208 5.770 ( -0.146 5.586 0.564) 5.617 5.828 ( 0.202 6.484 -0.858) 6.544 5.865 ( -0.543 7.558 0.932) 7.635 5.889 ( -0.247 6.256 -0.181) 6.264 5.907 ( -0.372 4.454 -0.098) 4.471 5.912 ( 0.012 4.057 -0.290) 4.068 5.950 ( -0.017 3.193 1.584) 3.565 6.001 ( -0.100 4.572 0.376) 4.589 6.132 ( -1.542 -2.369 2.549) 3.807 6.351 ( -0.073 0.302 6.716) 6.723 6.462 ( 1.342 -0.213 -3.595) 3.844 6.763 ( 3.676 -1.571 -2.583) 4.759 6.817 ( -1.654 -2.127 1.608) 3.137 6.851 ( 3.584 -0.040 -0.117) 3.586 6.986 ( -0.153 2.685 -3.373) 4.314 7.055 ( -1.622 2.073 -2.011) 3.313 ======================= Grid point 127 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -11.269 -8.873 5.521) 15.368 0.981 ( 7.352 -8.325 0.445) 11.116 1.018 ( -6.287 -9.485 -2.471) 11.644 1.114 ( -4.902 -6.631 8.098) 11.558 1.256 ( -0.429 -3.203 -3.353) 4.657 1.312 ( 1.342 -10.053 2.411) 10.425 1.393 ( 0.506 -8.553 1.985) 8.795 1.418 ( 1.840 -14.643 1.141) 14.802 1.486 ( -0.162 -10.743 -0.222) 10.746 1.512 ( -0.756 -11.573 0.305) 11.602 1.572 ( -1.390 -3.523 2.220) 4.390 1.584 ( 0.793 -9.678 -0.523) 9.724 1.709 ( -0.327 -11.874 -1.310) 11.950 1.778 ( -0.917 -4.748 4.732) 6.766 1.910 ( -1.381 0.066 4.866) 5.059 1.924 ( 1.787 0.819 -3.023) 3.606 2.017 ( 1.348 -2.098 -0.907) 2.653 2.064 ( -0.198 -3.919 6.210) 7.346 2.136 ( -2.464 -14.830 -0.946) 15.063 2.256 ( 1.686 -13.455 -0.768) 13.582 2.283 ( -0.275 -8.219 0.060) 8.224 2.326 ( -0.029 -6.405 -2.865) 7.017 2.421 ( -0.160 -5.199 -1.249) 5.349 2.587 ( 3.278 -6.858 -2.085) 7.882 2.611 ( -2.398 -4.519 0.798) 5.178 2.706 ( 0.360 -8.235 1.798) 8.436 2.736 ( -1.227 -4.608 0.066) 4.769 2.798 ( 3.558 -7.751 -1.037) 8.591 2.849 ( -3.178 -11.310 -2.229) 11.958 2.933 ( 1.180 -8.384 -3.455) 9.145 2.967 ( 2.075 -5.743 -2.686) 6.671 2.987 ( 2.007 -5.588 0.243) 5.942 3.129 ( 1.269 -6.627 -2.551) 7.214 3.217 ( 1.200 -6.877 -2.132) 7.299 3.288 ( 1.343 1.421 -4.745) 5.132 3.310 ( 3.697 -0.100 -4.863) 6.110 3.874 ( -3.364 -0.171 0.962) 3.503 3.929 ( -1.911 -1.186 2.290) 3.210 3.960 ( 1.304 -0.509 0.757) 1.592 3.987 ( 0.549 -0.825 -0.799) 1.273 4.314 ( -0.728 -0.189 0.899) 1.172 4.342 ( -0.589 -0.369 0.228) 0.732 4.364 ( 1.687 1.104 2.212) 2.993 4.479 ( -1.435 1.174 -1.400) 2.323 4.526 ( -1.368 -2.807 2.117) 3.772 4.564 ( -2.849 -2.030 2.435) 4.262 4.641 ( 0.087 1.990 1.274) 2.365 4.671 ( 0.437 0.989 -0.432) 1.164 4.726 ( -1.137 2.110 5.201) 5.727 4.833 ( 1.152 0.264 -3.003) 3.227 4.856 ( 1.305 -1.410 -2.388) 3.065 5.077 ( 1.943 1.689 -3.404) 4.268 5.516 ( -0.116 -15.573 1.275) 15.625 5.605 ( -1.456 -14.491 1.037) 14.600 5.618 ( -0.354 -7.373 -1.206) 7.479 5.631 ( 0.191 4.345 0.767) 4.416 5.656 ( -0.023 1.767 -0.061) 1.768 5.693 ( -0.480 8.597 1.004) 8.669 5.710 ( 0.671 -5.848 -0.740) 5.932 5.731 ( -0.132 7.337 -0.233) 7.342 5.805 ( 1.608 3.871 -0.078) 4.192 5.826 ( -0.893 -0.794 -1.024) 1.574 5.889 ( 0.457 2.209 0.891) 2.426 5.895 ( 0.412 3.758 1.006) 3.912 6.163 ( -1.259 -1.127 2.561) 3.068 6.361 ( -1.190 0.411 6.990) 7.103 6.456 ( 0.277 0.038 -3.521) 3.532 6.775 ( 1.433 0.310 -4.393) 4.631 6.870 ( -1.227 -1.518 1.716) 2.599 6.893 ( 3.989 -1.779 -0.435) 4.390 6.917 ( -1.071 0.393 -0.971) 1.498 7.013 ( -2.203 1.048 -2.041) 3.181 ======================= Grid point 128 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -8.313 -8.772 2.228) 12.289 1.125 ( -8.235 -6.984 -1.845) 10.955 1.181 ( 6.067 -7.880 0.554) 9.960 1.249 ( -1.557 -5.234 8.562) 10.155 1.310 ( -1.800 -3.824 -1.455) 4.470 1.445 ( 4.973 -1.782 2.408) 5.806 1.482 ( -0.549 -2.352 0.305) 2.434 1.570 ( -0.262 -5.838 -0.891) 5.912 1.604 ( -2.972 -1.969 2.104) 4.140 1.701 ( -0.096 -5.918 1.860) 6.204 1.761 ( 1.723 -11.091 -0.261) 11.227 1.808 ( 1.545 -7.671 -0.219) 7.828 1.853 ( -0.303 -3.889 0.678) 3.960 1.904 ( 1.804 -1.723 -2.047) 3.227 1.921 ( -1.362 -6.830 4.003) 8.034 1.960 ( -2.608 -4.966 2.286) 6.057 2.044 ( 1.623 -0.756 -0.684) 1.917 2.144 ( 0.418 -2.823 4.224) 5.097 2.233 ( -1.997 -0.319 -1.037) 2.272 2.320 ( -1.173 -2.043 -1.129) 2.613 2.365 ( -0.505 -1.108 -2.047) 2.382 2.430 ( -1.015 0.824 1.764) 2.196 2.567 ( 1.504 -3.140 -3.076) 4.646 2.619 ( 2.260 0.426 -5.506) 5.967 2.737 ( 0.571 -4.477 -0.445) 4.535 2.810 ( 0.236 -2.309 1.794) 2.933 2.935 ( -0.091 -8.043 -1.593) 8.200 2.962 ( 0.482 -17.162 0.496) 17.176 3.032 ( 2.453 -3.257 -2.715) 4.899 3.153 ( 0.023 -14.686 -2.966) 14.982 3.163 ( 0.203 -14.673 -1.995) 14.810 3.200 ( 2.964 -12.398 -0.884) 12.778 3.303 ( -0.220 -10.482 -0.712) 10.508 3.355 ( 1.290 -10.357 -1.455) 10.538 3.378 ( 1.353 -10.199 -1.878) 10.458 3.422 ( 0.866 -10.430 -2.074) 10.669 3.869 ( -3.198 -0.731 1.518) 3.614 3.950 ( -2.822 -1.455 2.330) 3.938 4.005 ( 1.927 -2.272 -0.000) 2.979 4.019 ( 0.977 -2.164 0.572) 2.442 4.315 ( -0.634 0.160 1.370) 1.518 4.349 ( 0.750 -0.020 0.691) 1.020 4.365 ( -0.114 -0.385 1.277) 1.338 4.443 ( -1.610 0.948 -1.458) 2.370 4.570 ( -3.110 -1.848 2.047) 4.156 4.596 ( -1.882 -0.775 2.327) 3.091 4.612 ( -0.066 0.642 1.891) 1.999 4.656 ( 0.262 0.595 0.593) 0.880 4.696 ( -1.251 1.831 3.926) 4.509 4.827 ( 1.478 -0.053 -3.029) 3.371 4.890 ( 1.713 -2.039 -2.884) 3.925 5.036 ( 2.155 2.526 -3.550) 4.861 5.415 ( 0.471 10.657 0.561) 10.682 5.439 ( 0.201 10.814 -0.341) 10.821 5.466 ( -0.745 11.492 0.435) 11.524 5.499 ( 0.021 11.179 -0.155) 11.180 5.605 ( 0.374 8.193 -0.512) 8.217 5.614 ( 0.939 7.722 -0.388) 7.789 5.658 ( -0.693 5.261 0.921) 5.386 5.690 ( -0.128 7.363 0.306) 7.370 5.968 ( -1.249 -14.319 0.781) 14.394 6.022 ( -0.450 -15.206 1.888) 15.330 6.067 ( 0.018 -8.789 0.032) 8.789 6.089 ( 1.431 -13.854 0.207) 13.929 6.223 ( -0.306 -7.067 1.085) 7.156 6.374 ( -1.518 -0.848 5.338) 5.614 6.451 ( 0.074 -0.984 -2.839) 3.005 6.758 ( 2.000 0.829 -3.931) 4.488 6.844 ( -5.529 -0.310 -1.221) 5.671 6.940 ( 1.130 -1.303 2.114) 2.728 6.963 ( 0.016 1.170 -1.089) 1.598 6.987 ( 2.765 -2.217 -1.173) 3.733 ======================= Grid point 129 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -4.826 -4.894 -0.191) 6.876 1.197 ( -4.676 -3.709 2.551) 6.491 1.292 ( 0.959 -0.446 2.046) 2.303 1.342 ( 1.292 -2.717 2.703) 4.045 1.370 ( -2.534 -2.658 1.207) 3.866 1.465 ( 3.268 1.253 0.764) 3.582 1.495 ( 0.615 0.488 0.557) 0.963 1.616 ( -3.631 -0.221 4.103) 5.483 1.665 ( 1.515 -4.056 -1.768) 4.677 1.766 ( -0.917 -1.225 1.346) 2.038 1.846 ( -1.181 0.521 -0.414) 1.356 1.893 ( 1.135 -0.615 -1.975) 2.360 1.916 ( -1.082 -1.737 -0.429) 2.091 1.943 ( 0.352 -3.459 3.009) 4.598 2.041 ( 0.631 -1.303 2.252) 2.677 2.048 ( 1.130 -5.198 -0.299) 5.328 2.092 ( 0.496 -4.157 -0.815) 4.265 2.167 ( -1.797 1.706 0.860) 2.623 2.241 ( -3.280 3.925 -0.052) 5.115 2.269 ( 1.301 -1.676 3.549) 4.135 2.384 ( -0.152 0.788 0.231) 0.835 2.432 ( -0.820 -2.244 -1.679) 2.919 2.559 ( 2.297 1.849 -4.233) 5.159 2.573 ( 2.962 2.337 -5.209) 6.431 2.784 ( 0.147 -1.055 -0.305) 1.108 2.840 ( -0.382 -0.558 1.308) 1.472 2.993 ( -0.010 -1.019 -4.116) 4.240 3.054 ( 4.198 0.034 -3.001) 5.161 3.285 ( 0.609 -10.476 1.122) 10.554 3.378 ( 0.077 -7.211 -2.215) 7.544 3.383 ( -0.325 -6.960 -1.078) 7.050 3.412 ( 1.205 -6.522 -0.652) 6.664 3.488 ( -0.331 -6.552 0.394) 6.573 3.544 ( 1.066 -6.153 -0.919) 6.312 3.571 ( 1.596 -6.887 -0.727) 7.107 3.591 ( -0.171 -5.369 -2.077) 5.759 3.880 ( -2.011 -1.151 2.047) 3.092 3.968 ( -2.755 -0.946 2.286) 3.703 4.045 ( 1.722 -0.904 -0.798) 2.103 4.068 ( 0.658 -1.259 0.469) 1.496 4.310 ( -1.132 0.249 1.335) 1.768 4.359 ( 0.753 -0.109 1.680) 1.844 4.376 ( -0.963 -0.658 -0.046) 1.167 4.425 ( -0.586 -0.065 -0.765) 0.965 4.574 ( -2.504 0.825 3.278) 4.207 4.583 ( -2.016 0.044 3.694) 4.208 4.629 ( -0.785 -0.723 1.112) 1.541 4.656 ( -1.054 0.118 2.295) 2.528 4.673 ( -0.473 0.559 0.797) 1.082 4.831 ( 1.570 -0.354 -2.719) 3.160 4.932 ( 2.039 -2.337 -3.559) 4.720 4.984 ( 2.352 2.863 -3.736) 5.262 5.249 ( 0.122 5.370 0.346) 5.383 5.274 ( 0.370 5.434 0.228) 5.452 5.283 ( -0.778 5.619 -0.025) 5.673 5.320 ( 0.097 6.014 -0.186) 6.017 5.475 ( 0.417 4.151 0.040) 4.172 5.505 ( 0.278 2.970 -0.803) 3.089 5.542 ( -0.630 4.351 0.674) 4.448 5.576 ( 0.490 3.747 0.479) 3.809 6.121 ( -1.348 -0.611 2.240) 2.685 6.163 ( -0.678 -4.963 0.962) 5.101 6.222 ( -0.573 -4.605 2.957) 5.502 6.305 ( 1.553 -5.887 -0.621) 6.120 6.337 ( -2.396 -2.750 2.804) 4.600 6.419 ( -0.587 -2.447 -1.664) 3.016 6.498 ( 1.156 -3.537 -0.965) 3.844 6.739 ( 2.752 1.136 -3.804) 4.831 6.833 ( -3.529 -0.791 0.353) 3.634 6.926 ( -0.391 0.934 0.581) 1.167 6.957 ( 0.807 0.593 0.220) 1.025 7.042 ( 1.937 -1.669 -1.788) 3.120 ======================= Grid point 135 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -13.674 -0.000 -0.541) 13.684 0.682 ( -14.634 -0.000 9.322) 17.351 0.781 ( 3.837 0.000 0.972) 3.958 0.829 ( 10.719 0.000 1.664) 10.847 0.891 ( 1.182 0.000 6.572) 6.678 0.894 ( 7.090 0.000 4.964) 8.655 1.066 ( -16.462 -0.000 -1.673) 16.547 1.179 ( -0.926 -0.000 -3.790) 3.901 1.240 ( -0.213 -0.000 -4.748) 4.753 1.375 ( 1.946 0.000 -0.707) 2.070 1.438 ( -0.203 -0.000 1.707) 1.719 1.505 ( -8.297 -0.000 7.096) 10.918 1.520 ( 4.443 0.000 2.661) 5.179 1.574 ( 4.208 0.000 1.601) 4.502 1.610 ( -2.590 -0.000 -3.416) 4.287 1.697 ( -0.764 -0.000 0.511) 0.919 1.849 ( 3.191 0.000 -1.741) 3.635 1.960 ( 4.678 0.000 -4.270) 6.334 1.974 ( -2.672 -0.000 8.169) 8.595 2.038 ( 0.021 0.000 4.304) 4.304 2.160 ( -1.494 -0.000 -3.125) 3.464 2.183 ( -0.694 -0.000 -1.936) 2.057 2.246 ( 2.252 0.000 -0.355) 2.280 2.422 ( 0.560 0.000 4.418) 4.454 2.425 ( 0.536 0.000 -1.559) 1.648 2.589 ( -0.828 -0.000 -1.606) 1.807 2.654 ( 0.192 0.000 -1.938) 1.948 2.664 ( -1.280 -0.000 0.983) 1.614 2.702 ( 0.561 0.000 2.326) 2.393 2.762 ( -0.046 -0.000 -1.356) 1.357 2.955 ( 2.944 0.000 -8.843) 9.320 2.965 ( 5.973 0.000 -7.372) 9.488 3.025 ( -0.382 -0.000 2.713) 2.740 3.105 ( -0.401 -0.000 0.362) 0.540 3.350 ( 3.406 0.000 -6.594) 7.422 3.375 ( 3.560 0.000 -7.381) 8.195 3.875 ( -3.680 -0.000 0.488) 3.712 3.919 ( -1.962 -0.000 2.151) 2.911 3.997 ( -0.014 -0.000 -3.758) 3.758 4.030 ( 2.480 0.000 -3.290) 4.120 4.308 ( -0.539 -0.000 1.156) 1.275 4.387 ( 1.727 0.000 -2.676) 3.185 4.391 ( 2.229 0.000 3.012) 3.747 4.396 ( -2.817 -0.000 4.882) 5.637 4.475 ( -2.290 -0.000 3.402) 4.101 4.564 ( 0.308 0.000 -2.886) 2.902 4.663 ( 1.923 0.000 -1.360) 2.355 4.708 ( -1.799 -0.000 2.634) 3.190 4.800 ( 1.707 0.000 -4.404) 4.723 4.830 ( 0.289 0.000 -1.448) 1.477 4.835 ( 0.164 0.000 3.691) 3.695 4.976 ( -1.539 -0.000 3.755) 4.058 5.110 ( -3.396 -0.000 2.119) 4.003 5.132 ( 2.354 0.000 -2.142) 3.182 5.144 ( -0.507 -0.000 -1.603) 1.681 5.188 ( 0.351 0.000 0.274) 0.445 5.824 ( -0.218 -0.000 0.598) 0.636 5.891 ( 0.545 0.000 -1.287) 1.398 5.937 ( -0.242 -0.000 0.284) 0.373 5.951 ( -0.416 -0.000 -0.237) 0.479 5.955 ( -0.328 -0.000 0.203) 0.386 5.968 ( 0.674 0.000 0.058) 0.676 5.982 ( -0.582 -0.000 2.047) 2.128 6.053 ( 0.122 0.000 -0.548) 0.562 6.087 ( -2.292 -0.000 3.823) 4.458 6.379 ( 0.410 0.000 7.547) 7.558 6.454 ( 1.101 0.000 -3.802) 3.958 6.743 ( -0.633 -0.000 -3.936) 3.987 6.804 ( 2.509 0.000 4.156) 4.855 6.875 ( 4.022 0.000 0.237) 4.029 6.986 ( -1.296 -0.000 -4.087) 4.288 7.094 ( 1.663 0.000 -4.145) 4.466 ======================= Grid point 136 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -14.825 -5.762 8.815) 18.185 0.758 ( -10.912 -12.198 -3.590) 16.756 0.900 ( 8.516 -5.120 1.125) 10.000 0.986 ( -1.974 -11.904 3.101) 12.459 1.042 ( -9.072 -9.151 2.743) 13.175 1.067 ( 3.192 -15.897 4.762) 16.899 1.116 ( 4.089 -14.168 3.239) 15.098 1.221 ( 1.423 -2.495 -2.896) 4.079 1.313 ( -1.239 -10.841 -2.376) 11.168 1.380 ( 0.088 -1.601 -0.777) 1.781 1.477 ( -1.788 -2.813 1.271) 3.568 1.508 ( -4.545 -1.675 3.819) 6.169 1.576 ( 4.423 -1.912 -1.072) 4.936 1.697 ( 0.442 -9.256 2.199) 9.524 1.726 ( -0.465 -14.147 1.169) 14.202 1.832 ( -0.098 -12.249 -0.905) 12.282 1.933 ( 1.182 -3.553 -3.311) 4.998 1.991 ( 3.631 -2.955 2.354) 5.240 2.004 ( -1.478 -1.884 3.513) 4.251 2.025 ( 1.289 -2.404 6.975) 7.489 2.184 ( -1.476 -4.024 -3.805) 5.731 2.215 ( -1.176 -3.334 -2.443) 4.297 2.300 ( 0.235 -4.941 -1.553) 5.185 2.452 ( 0.945 -5.269 0.785) 5.410 2.527 ( 1.096 -5.911 1.251) 6.141 2.608 ( -1.128 -2.518 -0.808) 2.875 2.660 ( -1.490 -3.125 0.009) 3.462 2.695 ( -1.693 -2.999 -0.997) 3.585 2.715 ( 0.894 -1.259 2.043) 2.561 2.793 ( 0.279 -4.656 -1.434) 4.880 2.934 ( 2.672 0.685 -6.546) 7.103 2.969 ( 4.352 0.239 -5.415) 6.951 3.051 ( 0.852 -2.093 0.281) 2.277 3.125 ( 0.260 -2.579 -1.190) 2.852 3.324 ( 2.546 2.139 -6.069) 6.920 3.349 ( 4.786 2.180 -7.061) 8.804 3.856 ( -3.664 0.033 0.761) 3.743 3.915 ( -1.947 -0.127 1.882) 2.711 3.979 ( 1.054 0.410 -2.062) 2.352 3.991 ( 1.023 2.527 -0.704) 2.816 4.308 ( -0.549 -0.094 1.029) 1.170 4.346 ( -0.805 0.979 0.770) 1.483 4.401 ( 1.428 0.993 2.860) 3.347 4.457 ( -1.257 -2.557 0.611) 2.914 4.491 ( -1.797 -1.242 2.608) 3.402 4.538 ( -1.575 0.658 -0.972) 1.965 4.668 ( 1.502 0.294 -1.097) 1.883 4.697 ( -0.131 1.300 2.234) 2.588 4.781 ( 0.566 2.241 2.287) 3.252 4.826 ( -0.277 -0.400 -1.659) 1.729 4.840 ( 1.654 -0.294 -1.802) 2.464 5.091 ( 1.339 -1.778 -2.279) 3.185 5.176 ( -0.460 -13.514 1.509) 13.605 5.259 ( -1.800 -14.697 1.924) 14.931 5.294 ( -0.278 -14.738 -1.253) 14.794 5.381 ( 2.500 -16.509 -0.235) 16.699 5.775 ( 0.460 5.268 0.637) 5.327 5.825 ( 0.329 6.515 -0.991) 6.598 5.865 ( -0.542 7.437 0.921) 7.513 5.884 ( -0.291 6.208 -0.212) 6.218 5.903 ( -0.285 4.577 0.030) 4.586 5.915 ( 0.737 4.321 -0.113) 4.385 5.959 ( -0.057 2.854 1.449) 3.201 6.002 ( -0.079 4.583 0.195) 4.588 6.132 ( -1.679 -2.503 2.853) 4.150 6.394 ( -0.295 0.967 7.755) 7.820 6.448 ( 0.417 0.008 -3.335) 3.361 6.745 ( -0.731 -1.784 -4.480) 4.877 6.849 ( 2.136 -1.152 3.317) 4.110 6.899 ( 4.851 -0.429 0.861) 4.945 6.950 ( -2.354 3.595 -4.143) 5.969 7.008 ( -3.529 2.574 -3.943) 5.884 ======================= Grid point 137 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -11.713 -9.670 3.066) 15.495 0.886 ( -12.379 -10.364 -1.133) 16.185 1.071 ( 7.619 -7.589 1.917) 10.923 1.157 ( -0.495 -6.146 10.000) 11.748 1.232 ( -0.568 -3.857 -2.242) 4.498 1.319 ( -1.481 -13.337 0.788) 13.442 1.400 ( -1.342 -8.835 2.054) 9.169 1.443 ( 1.092 -8.478 1.077) 8.616 1.486 ( 0.598 -15.139 0.358) 15.155 1.514 ( 0.398 -9.216 -0.013) 9.224 1.578 ( 1.303 -3.106 -0.236) 3.376 1.586 ( -0.191 -13.110 0.278) 13.114 1.697 ( -0.025 -11.429 -1.511) 11.529 1.809 ( 0.969 -2.075 4.580) 5.121 1.906 ( 0.105 -0.988 -1.889) 2.135 1.943 ( 0.711 -0.166 3.458) 3.534 2.038 ( 2.743 -1.673 -0.074) 3.213 2.093 ( -2.476 -6.537 6.123) 9.293 2.108 ( -1.244 -11.208 0.118) 11.278 2.239 ( -0.988 -3.403 -3.869) 5.246 2.280 ( -1.883 -9.244 -0.275) 9.437 2.329 ( 3.191 -14.699 -0.405) 15.047 2.405 ( -1.385 -7.163 -1.354) 7.421 2.584 ( -1.603 -0.624 -1.743) 2.449 2.613 ( 2.398 -7.946 -0.127) 8.301 2.714 ( -0.696 -9.339 0.710) 9.392 2.731 ( -0.425 -4.870 1.158) 5.024 2.799 ( -3.352 -11.427 -2.289) 12.126 2.832 ( 3.774 -7.028 -0.859) 8.024 2.926 ( 1.278 -6.930 -3.028) 7.670 2.971 ( 2.142 -6.943 -3.166) 7.926 3.002 ( 1.149 -6.733 -0.519) 6.850 3.130 ( 1.353 -6.414 -1.978) 6.847 3.213 ( 0.712 -6.941 -2.215) 7.321 3.277 ( 2.207 0.960 -4.659) 5.243 3.321 ( 4.293 0.148 -4.927) 6.537 3.844 ( -3.511 -0.393 1.250) 3.748 3.921 ( -2.311 -0.880 2.077) 3.230 3.980 ( 1.487 -0.806 1.025) 1.978 3.992 ( 1.125 -1.323 -0.523) 1.814 4.316 ( -0.205 -0.462 1.120) 1.229 4.339 ( -0.328 -0.148 0.477) 0.597 4.390 ( 0.478 1.330 2.335) 2.729 4.448 ( -2.348 1.125 -2.136) 3.368 4.523 ( -1.983 -1.939 2.019) 3.431 4.551 ( -2.322 -2.283 2.863) 4.336 4.654 ( 0.935 1.730 0.460) 2.019 4.676 ( 0.600 1.283 0.743) 1.599 4.746 ( -0.765 2.421 4.399) 5.080 4.825 ( 1.298 -0.046 -3.315) 3.560 4.857 ( 1.386 -1.286 -1.891) 2.674 5.076 ( 2.018 1.626 -3.541) 4.388 5.524 ( -0.161 -16.391 1.535) 16.463 5.590 ( -1.127 -11.340 -0.504) 11.407 5.613 ( -0.452 -12.784 0.302) 12.795 5.637 ( -0.016 3.228 0.870) 3.343 5.655 ( -0.079 5.766 -0.194) 5.769 5.694 ( -0.348 8.592 0.558) 8.617 5.712 ( 0.257 -3.201 -0.398) 3.235 5.729 ( -0.092 7.182 -0.189) 7.185 5.806 ( -0.477 2.538 -0.908) 2.738 5.834 ( 2.150 2.422 -0.062) 3.239 5.895 ( 0.733 1.443 0.734) 1.777 5.918 ( 2.107 0.816 0.812) 2.401 6.170 ( -0.717 -1.482 2.976) 3.401 6.391 ( -1.413 1.076 6.585) 6.820 6.437 ( -0.064 0.149 -2.449) 2.454 6.756 ( 0.378 -0.392 -4.737) 4.768 6.809 ( -7.061 1.160 -3.071) 7.786 6.916 ( 0.584 -1.505 1.764) 2.391 6.956 ( 3.974 -1.661 0.240) 4.314 6.979 ( -0.674 -0.130 -1.487) 1.638 ======================= Grid point 138 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -8.178 -9.913 -0.266) 12.853 1.031 ( -8.810 -9.801 2.669) 13.446 1.258 ( 6.251 -6.574 1.753) 9.239 1.282 ( -0.857 -3.290 1.640) 3.774 1.295 ( -0.951 -4.486 5.217) 6.946 1.463 ( -1.513 -1.453 -1.345) 2.492 1.495 ( 0.446 -4.957 1.761) 5.279 1.550 ( -2.662 -4.365 2.225) 5.576 1.612 ( 2.724 -2.060 -1.019) 3.564 1.715 ( 0.814 -6.646 1.372) 6.834 1.764 ( -0.082 -9.517 -1.506) 9.636 1.821 ( 1.919 -7.611 -0.924) 7.904 1.855 ( -0.086 -2.992 1.132) 3.200 1.919 ( -0.705 -6.745 0.382) 6.792 1.928 ( 2.109 -4.546 0.785) 5.072 1.951 ( -2.468 -2.251 3.205) 4.630 2.063 ( 1.565 -0.446 1.025) 1.924 2.167 ( -0.298 -1.183 1.434) 1.883 2.214 ( -1.093 -3.357 1.871) 3.995 2.299 ( -1.477 1.450 -0.780) 2.212 2.336 ( -1.700 -4.887 -2.444) 5.722 2.429 ( -2.291 1.442 2.372) 3.599 2.564 ( 1.516 -1.924 -3.727) 4.460 2.604 ( 2.371 -1.214 -6.100) 6.656 2.747 ( 1.758 -3.777 -0.396) 4.185 2.821 ( -0.454 -2.069 1.876) 2.830 2.924 ( 1.080 -6.112 -2.914) 6.857 2.977 ( 1.491 -18.033 1.102) 18.128 3.032 ( 0.139 -6.416 -1.985) 6.718 3.126 ( -2.166 -15.568 -1.588) 15.798 3.162 ( 2.909 -12.039 -3.891) 12.982 3.224 ( 2.493 -12.125 -0.907) 12.411 3.296 ( -0.067 -10.705 -0.913) 10.745 3.364 ( 1.562 -10.788 -0.889) 10.936 3.380 ( 1.170 -10.412 -1.758) 10.624 3.420 ( 1.253 -9.633 -2.063) 9.930 3.846 ( -3.044 -1.223 1.761) 3.723 3.933 ( -2.887 -1.250 2.087) 3.775 4.023 ( 1.659 -1.953 -0.335) 2.584 4.035 ( 1.046 -2.435 1.062) 2.855 4.321 ( 0.050 0.516 1.438) 1.528 4.349 ( -0.572 -1.062 -0.219) 1.226 4.375 ( -0.279 0.916 1.835) 2.069 4.415 ( -1.712 0.185 -1.419) 2.231 4.549 ( -3.557 -1.573 2.642) 4.701 4.596 ( -0.959 -1.809 2.236) 3.032 4.624 ( 0.143 1.576 1.573) 2.231 4.662 ( 0.141 0.619 0.746) 0.979 4.705 ( -1.581 2.491 3.600) 4.654 4.825 ( 1.695 -0.195 -3.137) 3.571 4.890 ( 1.564 -1.977 -2.587) 3.612 5.036 ( 2.188 2.461 -3.662) 4.925 5.422 ( 0.457 10.857 0.293) 10.871 5.442 ( 0.646 10.663 -0.180) 10.684 5.462 ( -0.693 11.662 0.527) 11.694 5.498 ( -0.071 11.162 -0.133) 11.163 5.606 ( 0.451 7.952 -0.439) 7.977 5.624 ( 0.857 8.460 -0.339) 8.510 5.655 ( -0.650 5.027 0.715) 5.119 5.691 ( -0.175 6.423 0.379) 6.437 5.958 ( -1.373 -15.050 0.544) 15.123 6.028 ( -0.416 -15.844 1.357) 15.907 6.067 ( -0.424 -7.626 1.045) 7.709 6.112 ( 2.574 -13.850 -0.186) 14.089 6.233 ( 0.492 -5.400 2.036) 5.792 6.386 ( -1.171 0.010 3.024) 3.243 6.440 ( -0.077 -1.580 -0.802) 1.773 6.744 ( -1.637 -0.878 -2.932) 3.471 6.783 ( -2.354 -0.968 -2.630) 3.660 6.946 ( -1.286 1.017 -0.896) 1.869 6.952 ( -0.329 -1.239 0.891) 1.561 7.024 ( 4.089 -1.461 -0.211) 4.347 ======================= Grid point 145 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -14.673 -0.000 0.465) 14.681 0.572 ( -17.209 -0.000 8.755) 19.308 0.784 ( -19.527 -0.000 -4.342) 20.004 0.844 ( 5.683 0.000 1.695) 5.930 0.954 ( 9.791 0.000 2.794) 10.182 0.991 ( 6.107 0.000 4.097) 7.354 1.023 ( 0.160 0.000 11.052) 11.053 1.143 ( -1.061 -0.000 -4.157) 4.290 1.228 ( 2.926 0.000 -3.407) 4.491 1.376 ( -0.694 -0.000 -1.461) 1.617 1.446 ( -0.686 -0.000 1.643) 1.781 1.464 ( -7.022 -0.000 6.514) 9.578 1.533 ( -2.950 -0.000 -1.376) 3.255 1.602 ( 4.065 0.000 -1.111) 4.214 1.627 ( 3.793 0.000 0.771) 3.871 1.694 ( -0.369 -0.000 1.108) 1.168 1.856 ( 1.974 0.000 -4.004) 4.464 1.980 ( -4.645 -0.000 6.031) 7.613 2.004 ( 6.369 0.000 -0.830) 6.423 2.071 ( -0.128 -0.000 5.966) 5.968 2.130 ( -0.105 -0.000 -3.417) 3.419 2.157 ( -1.416 -0.000 -3.134) 3.439 2.259 ( 0.887 0.000 -0.917) 1.276 2.419 ( 0.437 0.000 -1.726) 1.781 2.455 ( 0.419 0.000 4.288) 4.308 2.573 ( -0.404 -0.000 -1.214) 1.280 2.631 ( -2.014 -0.000 -2.226) 3.002 2.652 ( -1.389 -0.000 -0.165) 1.399 2.722 ( -0.121 -0.000 2.933) 2.935 2.749 ( -1.114 -0.000 -0.690) 1.310 2.935 ( 4.510 0.000 -9.733) 10.727 2.977 ( 5.124 0.000 -7.536) 9.113 3.046 ( 0.883 0.000 2.575) 2.722 3.103 ( -0.381 -0.000 0.692) 0.790 3.341 ( 3.121 0.000 -6.711) 7.401 3.374 ( 5.033 0.000 -7.411) 8.958 3.842 ( -3.449 -0.000 1.257) 3.671 3.909 ( -2.022 -0.000 1.607) 2.582 3.978 ( 0.178 0.000 -2.487) 2.493 4.039 ( 3.116 0.000 -3.254) 4.505 4.314 ( -0.046 -0.000 1.550) 1.551 4.381 ( 0.556 0.000 -3.222) 3.269 4.395 ( -3.378 -0.000 5.115) 6.130 4.425 ( -0.550 -0.000 3.562) 3.604 4.479 ( -0.201 -0.000 3.151) 3.157 4.539 ( -0.173 -0.000 -5.809) 5.811 4.678 ( 2.552 0.000 -1.774) 3.108 4.718 ( 0.400 0.000 2.857) 2.885 4.787 ( 1.105 0.000 -3.993) 4.143 4.832 ( 1.467 0.000 -0.866) 1.703 4.858 ( 0.075 0.000 2.944) 2.945 4.990 ( -0.979 -0.000 5.030) 5.124 5.089 ( -2.585 -0.000 1.215) 2.856 5.132 ( 0.250 0.000 -1.685) 1.703 5.143 ( 1.840 0.000 -1.587) 2.430 5.192 ( -0.002 -0.000 0.579) 0.579 5.826 ( -0.215 -0.000 0.623) 0.659 5.888 ( 0.458 0.000 -1.326) 1.403 5.936 ( -0.403 -0.000 0.492) 0.636 5.946 ( -0.347 -0.000 -0.193) 0.397 5.954 ( -0.032 -0.000 0.059) 0.067 5.976 ( 0.652 0.000 0.042) 0.654 5.989 ( -0.565 -0.000 1.863) 1.947 6.051 ( 0.043 0.000 -0.594) 0.595 6.086 ( -2.589 -0.000 3.983) 4.750 6.436 ( 0.743 0.000 9.010) 9.041 6.438 ( 0.537 0.000 -3.649) 3.688 6.704 ( -1.484 -0.000 -3.906) 4.179 6.864 ( 3.700 0.000 3.054) 4.798 6.922 ( 3.827 0.000 1.384) 4.069 6.948 ( -1.319 -0.000 -3.583) 3.818 7.063 ( 0.050 0.000 -10.040) 10.040 ======================= Grid point 146 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -15.890 -6.479 -0.302) 17.163 0.624 ( -13.444 -10.695 5.893) 18.162 0.869 ( -12.663 -22.018 0.896) 25.416 0.993 ( 7.398 -5.715 1.396) 9.452 1.081 ( 1.774 -6.781 6.672) 9.677 1.130 ( 2.222 -12.079 4.810) 13.190 1.179 ( 3.634 -10.933 3.158) 11.946 1.238 ( 4.295 -3.751 -1.112) 5.809 1.285 ( -0.671 -12.290 -2.728) 12.607 1.378 ( 0.593 -2.415 -0.345) 2.511 1.443 ( -6.355 -4.219 3.955) 8.592 1.497 ( -0.839 -0.059 -0.223) 0.870 1.608 ( 3.511 -1.054 -2.209) 4.280 1.673 ( -3.124 -15.977 0.332) 16.283 1.776 ( 3.624 -7.816 3.675) 9.366 1.828 ( 0.437 -12.230 -0.942) 12.274 1.932 ( 1.768 -5.054 -2.287) 5.822 1.997 ( -4.118 -3.652 3.876) 6.732 2.038 ( 1.880 -0.586 3.157) 3.721 2.085 ( 3.714 -4.191 3.386) 6.544 2.144 ( -2.036 -3.055 -3.136) 4.828 2.184 ( -1.325 -2.913 -2.571) 4.105 2.288 ( -0.608 -3.603 -1.555) 3.971 2.467 ( 1.720 -6.315 -0.684) 6.581 2.542 ( -0.157 -4.408 1.719) 4.734 2.590 ( -1.399 -3.033 -0.629) 3.399 2.636 ( -2.436 -3.488 -2.021) 4.710 2.668 ( -1.835 -1.934 0.175) 2.672 2.741 ( 0.904 -2.500 2.295) 3.512 2.786 ( -0.145 -5.369 -0.923) 5.450 2.924 ( 3.937 0.383 -7.683) 8.642 2.977 ( 3.742 0.230 -5.446) 6.612 3.065 ( 0.654 -1.102 1.290) 1.818 3.118 ( 0.039 -2.456 -1.337) 2.796 3.314 ( 3.063 2.185 -6.450) 7.466 3.360 ( 5.440 1.813 -6.617) 8.756 3.828 ( -3.167 0.077 1.684) 3.588 3.906 ( -1.887 -0.250 1.831) 2.641 3.976 ( 0.671 -0.517 -0.943) 1.267 4.003 ( 1.345 2.158 -0.493) 2.591 4.312 ( 0.052 0.111 1.260) 1.266 4.344 ( -0.508 0.505 1.085) 1.300 4.421 ( -1.397 0.874 3.021) 3.441 4.436 ( -2.484 -0.835 -0.907) 2.773 4.496 ( -0.504 -0.599 0.802) 1.121 4.516 ( -1.508 -0.879 0.961) 1.992 4.676 ( 1.456 0.502 -1.374) 2.064 4.718 ( 1.008 1.454 2.264) 2.873 4.796 ( 1.149 0.574 -0.760) 1.492 4.821 ( 0.156 1.029 0.441) 1.130 4.847 ( 1.239 -0.085 -0.533) 1.352 5.089 ( 1.408 -1.269 -2.711) 3.308 5.178 ( -1.352 -14.040 1.986) 14.244 5.254 ( -1.003 -14.423 1.414) 14.527 5.290 ( 0.489 -14.324 -0.513) 14.341 5.409 ( 3.509 -16.516 -0.808) 16.904 5.786 ( 0.889 4.793 0.549) 4.906 5.823 ( 0.518 6.386 -0.948) 6.476 5.866 ( -0.462 7.217 0.905) 7.288 5.880 ( -0.244 6.140 -0.115) 6.146 5.901 ( -0.070 4.792 0.110) 4.794 5.925 ( 1.379 3.710 0.016) 3.958 5.966 ( -0.154 2.615 1.170) 2.869 6.002 ( 0.005 4.483 0.001) 4.483 6.133 ( -1.647 -2.929 3.040) 4.531 6.424 ( 0.295 0.711 -1.680) 1.848 6.449 ( -0.448 1.599 7.533) 7.714 6.710 ( -0.590 -2.238 -4.537) 5.093 6.835 ( -7.911 7.693 -6.101) 12.609 6.910 ( 0.893 0.100 0.141) 0.909 6.945 ( 0.125 -0.436 -1.271) 1.350 6.963 ( 1.761 -1.167 0.272) 2.130 ======================= Grid point 147 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -10.504 -11.727 -1.011) 15.776 0.783 ( -11.098 -11.432 7.554) 17.633 1.146 ( 3.552 -7.049 1.108) 7.971 1.208 ( -1.131 -7.208 7.078) 10.165 1.228 ( 2.252 -5.177 0.320) 5.655 1.308 ( -1.199 -13.021 1.580) 13.171 1.389 ( -3.080 -7.652 1.601) 8.403 1.451 ( -0.693 -4.115 1.177) 4.336 1.502 ( 1.349 -16.563 -0.144) 16.619 1.515 ( 0.227 -7.243 -0.543) 7.267 1.586 ( -0.437 -6.634 0.703) 6.686 1.591 ( 2.639 -14.781 -1.877) 15.132 1.693 ( 1.028 -9.853 -1.372) 10.001 1.846 ( 0.408 -0.460 4.316) 4.360 1.897 ( 0.172 -3.599 -1.728) 3.996 1.969 ( 0.026 0.419 2.299) 2.337 2.059 ( 1.038 -3.650 0.221) 3.801 2.087 ( -0.807 -9.226 2.033) 9.482 2.124 ( -0.353 -4.772 3.539) 5.952 2.202 ( -1.605 -4.530 -2.878) 5.602 2.258 ( -1.089 -7.567 -0.190) 7.647 2.353 ( -0.315 -8.765 -0.667) 8.796 2.385 ( 1.015 -14.919 -1.173) 14.999 2.555 ( -1.513 0.837 -2.055) 2.686 2.638 ( 2.870 -7.732 -0.832) 8.290 2.706 ( -1.107 -8.927 -0.256) 8.999 2.731 ( -1.379 -7.708 1.262) 7.931 2.757 ( -1.994 -11.490 -1.062) 11.710 2.864 ( 3.544 -5.338 -1.196) 6.518 2.921 ( 0.954 -5.411 -2.342) 5.973 2.972 ( 2.194 -8.360 -3.560) 9.348 3.007 ( 0.831 -7.621 -0.772) 7.705 3.132 ( 1.229 -6.071 -1.540) 6.382 3.205 ( 0.375 -6.887 -2.076) 7.203 3.275 ( 2.758 0.289 -4.509) 5.294 3.337 ( 4.518 0.398 -4.797) 6.602 3.820 ( -2.946 -0.390 2.024) 3.595 3.910 ( -2.187 -0.558 2.068) 3.061 3.999 ( 1.063 -0.955 -0.538) 1.527 4.003 ( 0.981 -1.625 1.216) 2.254 4.324 ( 0.509 -0.584 1.136) 1.375 4.343 ( 0.316 0.235 0.813) 0.904 4.400 ( -1.330 1.245 2.125) 2.799 4.407 ( -2.619 0.723 -2.261) 3.534 4.510 ( -2.828 -1.365 2.504) 4.016 4.554 ( -0.885 -2.207 2.650) 3.561 4.663 ( 0.994 1.271 -0.701) 1.760 4.691 ( 0.431 2.039 1.914) 2.829 4.762 ( -0.931 2.784 3.482) 4.555 4.820 ( 1.668 -0.285 -3.395) 3.793 4.861 ( 1.271 -0.958 -1.198) 1.992 5.075 ( 2.107 1.571 -3.645) 4.494 5.530 ( -0.543 -17.822 1.605) 17.902 5.580 ( -0.113 -11.526 -0.383) 11.532 5.608 ( -1.017 -14.404 0.406) 14.446 5.641 ( -0.172 2.559 0.771) 2.678 5.654 ( 0.306 8.667 -0.211) 8.675 5.693 ( -0.251 8.500 -0.021) 8.504 5.712 ( -0.188 0.015 0.238) 0.303 5.727 ( -0.027 6.539 -0.181) 6.541 5.798 ( 0.037 3.108 -0.601) 3.166 5.848 ( 0.650 6.603 -0.182) 6.637 5.918 ( 2.521 -1.852 0.619) 3.189 5.945 ( 2.207 -1.045 0.498) 2.492 6.186 ( 0.288 -2.247 2.916) 3.693 6.404 ( -0.514 1.089 0.476) 1.295 6.431 ( -2.191 0.856 3.822) 4.488 6.695 ( -7.090 0.212 -3.347) 7.843 6.743 ( 0.108 -2.139 -4.780) 5.238 6.930 ( 0.421 -0.924 0.272) 1.052 6.944 ( -0.911 -0.121 -1.338) 1.623 7.017 ( 3.294 -1.748 1.499) 4.018 ======================= Grid point 155 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( -14.639 -0.000 3.291) 15.004 0.403 ( -20.038 -0.000 -3.236) 20.298 0.584 ( -21.030 -0.000 13.714) 25.106 0.907 ( 3.931 0.000 1.187) 4.106 1.050 ( 6.324 0.000 0.159) 6.326 1.072 ( 4.672 0.000 3.541) 5.862 1.087 ( 2.298 0.000 -1.464) 2.725 1.130 ( -0.233 -0.000 8.786) 8.789 1.259 ( 5.390 0.000 -1.140) 5.509 1.346 ( -4.345 -0.000 0.909) 4.440 1.431 ( -3.587 -0.000 0.663) 3.647 1.447 ( -3.126 -0.000 5.274) 6.131 1.501 ( -1.098 -0.000 -1.697) 2.021 1.628 ( 2.635 0.000 -2.176) 3.417 1.650 ( 1.576 0.000 -1.837) 2.421 1.713 ( 1.180 0.000 2.990) 3.215 1.849 ( 1.825 0.000 -4.073) 4.463 1.956 ( -6.427 -0.000 5.051) 8.174 2.071 ( 6.327 0.000 0.467) 6.344 2.103 ( -1.463 -0.000 3.701) 3.980 2.113 ( -1.910 -0.000 -2.034) 2.790 2.114 ( 1.202 0.000 -3.977) 4.155 2.253 ( -0.529 -0.000 -1.398) 1.495 2.414 ( 0.780 0.000 -1.958) 2.108 2.476 ( -0.899 -0.000 2.587) 2.738 2.559 ( -0.965 -0.000 -1.946) 2.173 2.589 ( -2.790 -0.000 -2.689) 3.875 2.639 ( -0.823 -0.000 0.324) 0.884 2.734 ( -1.049 -0.000 -0.448) 1.140 2.734 ( -1.033 -0.000 3.053) 3.223 2.926 ( 5.335 0.000 -9.859) 11.210 2.981 ( 4.595 0.000 -7.023) 8.393 3.067 ( 1.065 0.000 0.455) 1.158 3.113 ( 0.187 0.000 3.305) 3.310 3.333 ( 3.711 0.000 -7.210) 8.109 3.386 ( 5.622 0.000 -6.686) 8.736 3.820 ( -2.940 -0.000 2.302) 3.734 3.900 ( -1.753 -0.000 1.863) 2.558 3.971 ( 0.492 0.000 -0.970) 1.087 4.046 ( 1.877 0.000 -4.238) 4.636 4.325 ( 0.158 0.000 1.622) 1.629 4.364 ( -0.048 -0.000 -2.208) 2.209 4.390 ( -3.706 -0.000 5.386) 6.538 4.424 ( -3.410 -0.000 3.544) 4.918 4.480 ( -2.951 -0.000 -8.185) 8.701 4.507 ( 1.258 0.000 2.657) 2.939 4.690 ( 2.484 0.000 -3.115) 3.984 4.748 ( 1.385 0.000 3.075) 3.373 4.776 ( 1.678 0.000 -4.346) 4.658 4.852 ( 1.956 0.000 1.729) 2.611 4.869 ( -0.968 -0.000 2.046) 2.264 5.022 ( 0.825 0.000 5.808) 5.866 5.075 ( -1.540 -0.000 2.201) 2.687 5.129 ( 1.105 0.000 -1.853) 2.157 5.150 ( 1.436 0.000 -1.924) 2.401 5.197 ( -0.003 -0.000 1.268) 1.268 5.827 ( -0.260 -0.000 0.608) 0.661 5.884 ( 0.384 0.000 -1.338) 1.392 5.935 ( -0.481 -0.000 0.608) 0.775 5.942 ( -0.219 -0.000 -0.121) 0.251 5.955 ( 0.148 0.000 -0.020) 0.149 5.982 ( 0.503 0.000 -0.030) 0.504 5.993 ( -0.644 -0.000 1.600) 1.724 6.047 ( 0.089 0.000 -0.583) 0.590 6.083 ( -2.760 -0.000 4.051) 4.902 6.422 ( 0.713 0.000 -3.458) 3.531 6.511 ( 2.523 0.000 10.100) 10.410 6.666 ( -0.692 -0.000 -4.452) 4.506 6.911 ( 2.460 0.000 1.323) 2.793 6.914 ( -1.760 -0.000 -6.725) 6.951 6.946 ( -6.149 -0.000 -15.926) 17.072 6.966 ( 2.481 0.000 2.007) 3.191 ======================= Grid point 156 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( -13.056 -10.451 -1.728) 16.813 0.555 ( -12.514 -9.659 14.307) 21.321 0.773 ( -8.805 -27.175 4.334) 28.893 1.065 ( 5.171 -5.494 -0.080) 7.546 1.108 ( 0.005 -10.747 -1.567) 10.860 1.188 ( 1.549 -5.686 7.900) 9.856 1.210 ( -1.813 -7.223 2.802) 7.957 1.278 ( 1.633 -12.763 -0.580) 12.880 1.290 ( 5.282 -4.673 0.451) 7.066 1.390 ( 0.667 -6.215 0.934) 6.320 1.411 ( -4.008 -3.027 4.562) 6.786 1.476 ( -1.635 -0.127 -2.274) 2.803 1.624 ( 2.644 -1.493 -2.510) 3.940 1.651 ( -1.734 -14.647 0.773) 14.769 1.821 ( 1.334 -14.306 -0.195) 14.369 1.835 ( 1.295 -5.745 2.172) 6.277 1.933 ( 0.573 -7.166 -1.466) 7.337 1.968 ( -5.286 -4.702 3.003) 7.685 2.065 ( 0.843 -0.087 -1.167) 1.442 2.107 ( -1.992 -3.000 0.166) 3.604 2.133 ( 3.253 -4.037 -1.468) 5.388 2.173 ( 0.635 -2.398 2.383) 3.440 2.271 ( -0.855 -3.099 -1.241) 3.446 2.480 ( 2.649 -6.605 -2.415) 7.515 2.541 ( -1.711 -3.821 0.652) 4.237 2.574 ( -1.513 -3.791 0.729) 4.146 2.591 ( -2.529 -2.934 -2.841) 4.804 2.658 ( -0.777 -2.255 0.281) 2.401 2.759 ( -0.111 -3.745 1.852) 4.180 2.780 ( 0.033 -5.854 -0.451) 5.871 2.919 ( 4.539 0.309 -8.024) 9.224 2.985 ( 3.845 0.242 -4.252) 5.738 3.078 ( -0.125 -0.157 1.824) 1.835 3.112 ( 0.141 -2.236 -0.894) 2.413 3.308 ( 3.699 2.084 -6.575) 7.827 3.378 ( 5.631 1.771 -6.089) 8.481 3.812 ( -2.573 0.148 2.607) 3.666 3.900 ( -1.520 -0.183 2.241) 2.714 3.981 ( 0.561 -0.859 -0.399) 1.101 4.005 ( -0.242 0.957 -0.212) 1.009 4.328 ( 1.234 0.019 1.623) 2.039 4.352 ( 0.831 0.101 1.377) 1.611 4.397 ( -3.084 0.403 -2.233) 3.829 4.413 ( -3.214 0.449 2.709) 4.227 4.476 ( -2.424 -1.976 0.597) 3.184 4.529 ( 0.171 -0.958 2.489) 2.673 4.681 ( 1.318 0.639 -1.467) 2.073 4.739 ( 0.649 1.548 1.225) 2.078 4.798 ( 1.444 -0.407 -2.244) 2.699 4.833 ( 0.163 2.545 2.280) 3.421 4.860 ( 1.058 0.119 0.657) 1.251 5.087 ( 1.581 -1.189 -2.941) 3.545 5.174 ( -1.579 -14.168 2.114) 14.412 5.253 ( -0.975 -13.898 1.215) 13.985 5.297 ( 1.008 -13.638 0.122) 13.676 5.443 ( 4.426 -14.981 -1.913) 15.738 5.800 ( 1.131 4.789 0.248) 4.927 5.823 ( 0.489 6.092 -0.732) 6.156 5.867 ( -0.275 7.003 0.851) 7.060 5.879 ( -0.090 5.983 0.087) 5.984 5.902 ( 0.073 4.863 0.187) 4.868 5.945 ( 2.518 2.406 -0.071) 3.483 5.970 ( -0.255 2.622 0.732) 2.734 6.002 ( 0.143 4.113 -0.168) 4.119 6.136 ( -1.159 -3.747 2.804) 4.822 6.412 ( 0.842 0.382 -3.173) 3.305 6.490 ( -4.673 5.569 8.817) 11.428 6.668 ( -11.133 3.554 -7.217) 13.736 6.678 ( -0.077 -2.550 -4.908) 5.531 6.920 ( 0.286 -0.366 -0.702) 0.842 6.933 ( 0.725 -0.446 -0.601) 1.042 7.001 ( 1.819 -1.641 1.955) 3.134 ======================= Grid point 165 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.185 ( -13.469 -0.000 3.702) 13.969 0.239 ( -10.529 -0.000 9.115) 13.926 0.513 ( -16.128 -0.000 23.658) 28.632 0.922 ( -0.310 -0.000 -3.131) 3.146 1.084 ( 2.079 0.000 -3.266) 3.871 1.093 ( 2.828 0.000 -1.399) 3.156 1.127 ( 2.004 0.000 2.433) 3.152 1.207 ( -0.481 -0.000 10.058) 10.070 1.311 ( 4.158 0.000 0.348) 4.172 1.313 ( -4.737 -0.000 6.755) 8.251 1.397 ( -2.663 -0.000 0.523) 2.714 1.462 ( -0.256 -0.000 3.833) 3.841 1.472 ( -1.596 -0.000 -3.472) 3.821 1.640 ( 2.301 0.000 -1.475) 2.734 1.653 ( 1.610 0.000 -2.016) 2.579 1.739 ( 0.268 0.000 2.278) 2.294 1.846 ( 2.344 0.000 -3.642) 4.331 1.915 ( -6.713 -0.000 4.513) 8.089 2.055 ( -2.341 -0.000 -1.417) 2.737 2.095 ( 0.351 0.000 -4.616) 4.629 2.137 ( 5.513 0.000 -0.475) 5.533 2.143 ( 1.134 0.000 6.275) 6.377 2.235 ( -0.950 -0.000 -1.242) 1.564 2.411 ( 1.042 0.000 -2.200) 2.434 2.467 ( -2.282 -0.000 -0.056) 2.283 2.532 ( -2.150 -0.000 0.905) 2.333 2.549 ( -1.292 -0.000 -2.837) 3.117 2.637 ( -0.443 -0.000 0.382) 0.585 2.722 ( -0.563 -0.000 -0.622) 0.839 2.738 ( -1.720 -0.000 2.857) 3.335 2.923 ( 5.774 0.000 -9.753) 11.334 2.990 ( 4.801 0.000 -5.585) 7.365 3.078 ( 1.115 0.000 0.205) 1.133 3.137 ( -0.541 -0.000 2.864) 2.914 3.330 ( 4.329 0.000 -7.192) 8.395 3.406 ( 5.657 0.000 -5.989) 8.238 3.808 ( -2.491 -0.000 2.914) 3.834 3.898 ( -1.280 -0.000 2.680) 2.970 3.973 ( -0.306 -0.000 -1.032) 1.077 4.012 ( -2.216 -0.000 -2.009) 2.991 4.336 ( 0.070 0.000 1.395) 1.397 4.366 ( 1.146 0.000 0.339) 1.195 4.386 ( -3.550 -0.000 5.305) 6.383 4.392 ( -3.780 -0.000 -3.792) 5.355 4.406 ( -3.920 -0.000 3.424) 5.204 4.529 ( 0.023 0.000 2.076) 2.076 4.693 ( 2.090 0.000 -3.279) 3.889 4.768 ( 2.332 0.000 -4.812) 5.347 4.777 ( 0.094 0.000 2.872) 2.874 4.869 ( -0.929 -0.000 2.053) 2.254 4.889 ( 1.866 0.000 2.777) 3.346 5.044 ( -0.916 -0.000 0.547) 1.067 5.129 ( 1.278 0.000 -2.132) 2.485 5.134 ( 6.625 0.000 4.737) 8.144 5.153 ( 3.270 0.000 -0.139) 3.273 5.206 ( -0.297 -0.000 1.799) 1.823 5.828 ( -0.335 -0.000 0.559) 0.652 5.879 ( 0.201 0.000 -1.212) 1.229 5.934 ( -0.453 -0.000 0.636) 0.780 5.940 ( -0.056 -0.000 -0.040) 0.068 5.956 ( 0.177 0.000 -0.023) 0.179 5.985 ( 0.225 0.000 -0.156) 0.274 5.995 ( -0.619 -0.000 1.362) 1.496 6.046 ( 0.250 0.000 -0.501) 0.559 6.080 ( -2.642 -0.000 4.044) 4.831 6.411 ( 1.229 0.000 -3.323) 3.543 6.609 ( -24.611 -0.000 -15.835) 29.265 6.625 ( 3.859 0.000 4.473) 5.907 6.635 ( 0.471 0.000 -5.106) 5.128 6.918 ( 1.028 0.000 -0.261) 1.060 6.929 ( 0.565 0.000 -0.453) 0.725 6.995 ( 0.601 0.000 1.773) 1.872 ======================= Grid point 166 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 0.763 0.000 11.657) 11.682 0.590 ( 9.619 0.000 14.904) 17.738 0.705 ( -1.503 -0.000 -9.488) 9.606 0.862 ( -6.447 -0.000 -12.273) 13.863 0.992 ( -3.051 -0.000 17.334) 17.600 1.147 ( -4.695 -0.000 -0.288) 4.704 1.163 ( 3.572 0.000 2.285) 4.241 1.266 ( -0.694 -0.000 -6.906) 6.941 1.307 ( -7.005 -0.000 4.859) 8.525 1.378 ( 4.467 0.000 -2.426) 5.083 1.437 ( 2.472 0.000 2.652) 3.625 1.470 ( -4.949 -0.000 1.979) 5.330 1.521 ( -1.104 -0.000 2.165) 2.431 1.609 ( 2.807 0.000 -4.283) 5.120 1.709 ( 1.286 0.000 4.721) 4.893 1.778 ( 2.496 0.000 -3.573) 4.358 1.794 ( -1.619 -0.000 5.029) 5.283 1.932 ( 0.208 0.000 -7.400) 7.403 1.963 ( -7.231 -0.000 5.262) 8.943 2.085 ( 6.247 0.000 -6.591) 9.081 2.086 ( -3.606 -0.000 6.224) 7.193 2.201 ( 0.534 0.000 -2.975) 3.023 2.264 ( -1.514 -0.000 2.442) 2.873 2.335 ( 3.573 0.000 -4.889) 6.056 2.435 ( -3.317 -0.000 0.944) 3.448 2.475 ( 3.155 0.000 -2.998) 4.352 2.625 ( 0.484 0.000 3.049) 3.087 2.639 ( -1.633 -0.000 2.079) 2.643 2.679 ( 0.250 0.000 -2.626) 2.637 2.732 ( 5.299 0.000 -7.747) 9.386 2.804 ( -4.804 -0.000 4.623) 6.667 2.908 ( 6.728 0.000 -5.781) 8.871 3.133 ( 0.102 0.000 2.627) 2.629 3.203 ( -4.692 -0.000 4.982) 6.844 3.206 ( 3.102 0.000 -5.164) 6.024 3.312 ( 5.356 0.000 -5.935) 7.994 3.868 ( -0.425 -0.000 2.843) 2.874 3.918 ( 0.843 0.000 -2.317) 2.466 3.972 ( -0.350 -0.000 3.146) 3.166 4.019 ( 0.226 0.000 -1.397) 1.415 4.323 ( 0.183 0.000 -0.035) 0.187 4.335 ( -0.255 -0.000 -0.931) 0.965 4.440 ( -4.502 -0.000 2.209) 5.015 4.455 ( 4.486 0.000 0.495) 4.513 4.516 ( -4.353 -0.000 6.930) 8.183 4.575 ( -2.818 -0.000 2.829) 3.993 4.631 ( 3.938 0.000 -3.735) 5.427 4.654 ( 2.795 0.000 -5.953) 6.576 4.869 ( -3.177 -0.000 6.100) 6.878 4.931 ( -0.885 -0.000 2.252) 2.420 4.946 ( 0.280 0.000 0.197) 0.342 4.995 ( 2.765 0.000 -4.877) 5.607 5.080 ( -2.142 -0.000 -0.751) 2.270 5.093 ( 1.874 0.000 -1.468) 2.380 5.238 ( -1.923 -0.000 1.200) 2.267 5.257 ( 3.169 0.000 -0.743) 3.255 5.841 ( -0.754 -0.000 0.866) 1.148 5.860 ( 0.967 0.000 -0.994) 1.387 5.941 ( -0.193 -0.000 0.092) 0.214 5.941 ( 0.184 0.000 0.048) 0.190 5.965 ( 0.111 0.000 0.569) 0.579 5.976 ( -0.139 -0.000 -0.539) 0.557 6.018 ( -0.793 -0.000 0.969) 1.252 6.035 ( 0.713 0.000 -0.748) 1.033 6.190 ( -3.537 -0.000 6.542) 7.437 6.315 ( 3.270 0.000 -5.844) 6.696 6.356 ( -10.009 -0.000 6.204) 11.775 6.489 ( 5.213 0.000 -7.033) 8.754 6.823 ( 6.199 0.000 2.411) 6.652 6.874 ( -2.758 -0.000 -2.647) 3.823 6.977 ( 3.665 0.000 1.798) 4.083 7.002 ( -3.081 -0.000 -0.606) 3.140 ======================= Grid point 167 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 6.400 -6.283 11.630) 14.687 0.808 ( -1.947 -12.748 -1.174) 12.949 0.829 ( -3.105 -12.042 -1.665) 12.547 0.922 ( -0.019 -19.006 -7.136) 20.302 1.062 ( -0.005 -4.524 13.075) 13.836 1.197 ( -0.391 -3.522 -5.611) 6.636 1.271 ( -5.726 -6.539 6.310) 10.740 1.300 ( -4.370 -8.412 0.544) 9.496 1.375 ( 1.993 -10.739 -1.104) 10.978 1.389 ( 2.067 -1.125 -0.893) 2.517 1.462 ( -1.405 -2.540 3.154) 4.287 1.529 ( -0.007 -5.298 -2.767) 5.977 1.606 ( -0.873 -2.165 3.271) 4.019 1.673 ( 2.611 -9.545 -1.736) 10.047 1.838 ( 1.230 -10.237 3.457) 10.875 1.866 ( -1.367 -8.273 -2.993) 8.903 1.910 ( -2.587 -8.681 0.454) 9.070 1.941 ( -3.492 -1.884 3.665) 5.401 1.967 ( -0.884 -5.538 -0.566) 5.637 2.102 ( 1.014 -2.419 -0.039) 2.623 2.115 ( 0.484 -2.868 1.411) 3.233 2.236 ( 1.196 -3.961 -4.185) 5.885 2.297 ( -1.506 -3.303 2.304) 4.299 2.380 ( 4.155 -3.320 -5.723) 7.813 2.482 ( -3.000 -5.954 0.825) 6.718 2.533 ( 3.998 -5.055 -1.384) 6.592 2.644 ( -1.547 -2.186 1.290) 2.973 2.654 ( 0.391 -2.180 1.846) 2.883 2.717 ( 0.458 -4.148 -1.820) 4.553 2.766 ( 4.770 -3.046 -6.201) 8.395 2.830 ( -3.663 -4.323 3.515) 6.668 2.940 ( 4.753 -1.633 -5.470) 7.428 3.136 ( -0.477 0.026 1.422) 1.501 3.162 ( -2.515 2.059 2.813) 4.298 3.203 ( 1.001 0.168 -2.461) 2.662 3.296 ( 4.142 2.052 -6.227) 7.755 3.880 ( 0.258 -0.323 2.891) 2.921 3.914 ( 0.718 0.050 -2.217) 2.331 3.977 ( -0.319 0.193 2.952) 2.976 4.008 ( -0.318 0.406 -1.683) 1.760 4.328 ( 0.171 -0.309 0.442) 0.566 4.336 ( -0.048 -0.262 -0.844) 0.885 4.417 ( -3.994 0.720 1.371) 4.284 4.465 ( 3.768 1.246 0.138) 3.971 4.550 ( -4.021 -2.817 5.700) 7.523 4.580 ( -2.330 -0.738 3.179) 4.009 4.644 ( 1.940 -0.212 -2.787) 3.402 4.676 ( 3.922 -1.858 -5.775) 7.224 4.847 ( -2.213 2.560 4.743) 5.827 4.886 ( -3.062 3.966 1.565) 5.249 4.909 ( -1.054 2.281 0.247) 2.525 5.005 ( 3.890 0.091 -5.130) 6.439 5.217 ( -1.829 -14.886 0.892) 15.025 5.243 ( 1.696 -14.533 0.066) 14.632 5.346 ( -1.582 -12.383 2.373) 12.707 5.396 ( 0.485 -12.283 -3.128) 12.684 5.809 ( -0.830 4.935 0.024) 5.005 5.818 ( 0.623 5.437 -0.268) 5.480 5.880 ( -0.392 6.335 0.425) 6.361 5.888 ( 0.327 5.997 -0.226) 6.010 5.932 ( 0.380 3.195 1.460) 3.534 5.944 ( -0.959 3.031 -1.292) 3.432 5.973 ( -1.777 3.237 -0.205) 3.699 5.991 ( 1.405 3.257 -0.236) 3.555 6.211 ( -3.410 -1.747 5.393) 6.615 6.323 ( 3.411 -0.873 -4.850) 5.993 6.365 ( -5.631 -2.454 7.164) 9.436 6.526 ( 6.263 -2.438 -6.251) 9.179 6.827 ( 2.921 2.314 1.597) 4.054 6.841 ( 0.086 1.273 -2.536) 2.839 6.994 ( -3.566 -1.172 -1.370) 3.996 7.008 ( 3.207 -0.622 1.855) 3.757 ======================= Grid point 168 (73/115) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -4.122 -9.075 -7.821) 12.670 0.947 ( 4.949 -8.834 6.950) 12.282 1.093 ( 1.865 -6.535 11.268) 13.159 1.178 ( 2.418 -5.652 -6.689) 9.085 1.233 ( -5.194 -7.485 4.307) 10.078 1.320 ( 1.810 -9.548 -2.188) 9.961 1.456 ( -3.043 -15.336 2.004) 15.763 1.462 ( -5.882 -7.433 1.784) 9.645 1.495 ( 0.891 -10.894 1.343) 11.013 1.563 ( -0.837 -8.055 1.129) 8.176 1.578 ( -0.049 -2.532 -0.291) 2.549 1.631 ( 1.447 -11.224 -2.129) 11.515 1.719 ( -1.259 -8.576 1.233) 8.755 1.789 ( 3.000 -2.448 -4.275) 5.768 1.935 ( -2.478 -1.561 4.482) 5.354 1.992 ( -0.035 -3.724 1.806) 4.139 2.021 ( -4.036 -1.120 7.451) 8.547 2.056 ( -3.967 -9.746 1.656) 10.652 2.144 ( 1.205 -9.029 -3.450) 9.740 2.206 ( 5.855 -5.510 -3.067) 8.605 2.295 ( -0.904 -11.956 -1.117) 12.042 2.309 ( 1.599 -3.099 -1.662) 3.863 2.373 ( -1.176 -6.836 1.059) 7.017 2.435 ( 3.290 -1.446 -3.484) 5.006 2.652 ( -0.775 -12.515 0.478) 12.548 2.688 ( 1.392 -8.398 -0.565) 8.532 2.741 ( -1.081 -8.202 1.492) 8.407 2.775 ( 0.604 -10.334 -1.676) 10.486 2.833 ( 1.571 -8.072 0.699) 8.253 2.859 ( 2.732 -7.453 -4.165) 8.964 2.955 ( -0.788 -8.300 -0.349) 8.344 2.974 ( -0.220 -1.997 -1.703) 2.633 3.156 ( -1.111 -4.459 0.619) 4.637 3.181 ( 0.612 -5.042 -0.967) 5.171 3.228 ( 0.728 -4.149 -0.823) 4.292 3.267 ( 2.055 -0.487 -4.797) 5.241 3.901 ( 0.219 -0.904 2.723) 2.878 3.918 ( 0.301 -0.888 -1.552) 1.814 3.985 ( -0.253 -0.413 2.841) 2.882 3.998 ( -0.467 -0.270 -1.615) 1.703 4.333 ( -0.929 -0.072 -0.359) 0.999 4.342 ( 0.437 -0.581 0.584) 0.932 4.385 ( -2.807 0.780 0.508) 2.958 4.452 ( 2.883 1.792 -0.149) 3.398 4.591 ( -1.875 -1.117 2.393) 3.239 4.601 ( -2.356 -1.868 5.056) 5.882 4.642 ( 0.876 0.132 -1.957) 2.148 4.711 ( 2.831 -1.339 -3.552) 4.736 4.783 ( -1.756 2.912 0.943) 3.529 4.817 ( -1.727 2.566 2.455) 3.949 4.865 ( -2.317 1.629 1.548) 3.228 4.987 ( 3.867 1.946 -5.534) 7.025 5.557 ( -2.186 -16.725 0.743) 16.884 5.604 ( 1.119 -15.330 1.273) 15.424 5.614 ( 0.890 -7.993 0.224) 8.045 5.621 ( -0.033 -3.976 -0.834) 4.063 5.664 ( -0.698 6.511 0.120) 6.549 5.679 ( 0.534 2.990 -0.434) 3.068 5.722 ( -0.122 7.230 0.061) 7.231 5.724 ( 0.182 8.663 0.063) 8.665 5.825 ( -0.820 7.214 -1.158) 7.352 5.833 ( 0.699 5.669 0.809) 5.769 5.946 ( -2.415 -2.943 0.441) 3.832 5.966 ( -1.413 -2.110 -0.397) 2.570 6.243 ( -3.431 -1.821 3.611) 5.304 6.352 ( 3.713 -1.390 -3.456) 5.259 6.411 ( -3.941 -2.117 7.782) 8.976 6.592 ( 7.135 -2.433 -5.988) 9.628 6.789 ( -2.025 0.577 -3.831) 4.372 6.833 ( 4.275 0.977 2.518) 5.056 6.996 ( -3.123 -1.374 -2.177) 4.047 7.036 ( 2.031 0.019 1.964) 2.825 ======================= Grid point 169 (74/115) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -1.457 -9.090 -6.849) 11.474 1.154 ( 4.173 -6.635 5.925) 9.825 1.225 ( -0.215 -4.102 7.185) 8.276 1.262 ( 1.707 -4.273 -4.029) 6.115 1.340 ( -2.965 -5.728 3.336) 7.262 1.443 ( 1.808 -4.083 -0.658) 4.514 1.523 ( -4.958 -1.156 1.818) 5.406 1.577 ( -2.283 -3.476 -0.360) 4.174 1.705 ( -0.059 -5.381 1.708) 5.646 1.725 ( -0.296 -5.408 0.077) 5.417 1.743 ( -0.656 -8.130 -2.824) 8.632 1.783 ( 0.054 -9.598 0.334) 9.604 1.838 ( -1.126 -4.824 -0.253) 4.960 1.864 ( 0.955 -3.958 1.163) 4.234 1.981 ( -1.887 -1.606 0.513) 2.531 2.034 ( 0.925 -1.247 4.774) 5.020 2.082 ( -3.121 -5.837 6.383) 9.196 2.185 ( -4.234 -6.206 1.519) 7.665 2.233 ( 4.369 -0.870 -7.399) 8.637 2.241 ( 0.671 1.624 0.017) 1.757 2.363 ( 1.523 -2.473 0.985) 3.067 2.379 ( 2.657 -0.566 -2.429) 3.644 2.445 ( 1.983 0.824 0.125) 2.151 2.537 ( 3.747 -2.532 -5.128) 6.837 2.772 ( -1.697 -1.783 0.349) 2.486 2.846 ( -1.486 -4.015 1.827) 4.655 2.887 ( 0.013 -2.076 -3.204) 3.818 2.967 ( 2.067 -8.366 -0.042) 8.618 3.020 ( -1.655 -10.966 0.313) 11.095 3.079 ( 1.523 -16.357 -1.973) 16.546 3.131 ( -0.008 -14.979 -3.895) 15.477 3.170 ( 1.468 -15.352 0.895) 15.448 3.324 ( -0.593 -11.339 0.559) 11.368 3.343 ( 0.278 -10.962 -2.081) 11.161 3.370 ( -0.065 -10.277 -0.491) 10.289 3.389 ( 1.127 -11.226 -0.666) 11.302 3.934 ( -0.065 -1.237 3.781) 3.979 3.941 ( 0.667 -1.892 -2.597) 3.282 4.006 ( -0.377 -1.347 -1.534) 2.076 4.011 ( -0.283 -1.385 2.884) 3.212 4.322 ( -1.448 0.263 0.067) 1.473 4.359 ( -0.339 -0.773 0.288) 0.892 4.373 ( -0.785 -0.552 0.587) 1.125 4.433 ( 2.220 1.313 -0.485) 2.624 4.608 ( -0.617 -0.706 2.290) 2.475 4.633 ( -0.051 -0.878 0.274) 0.921 4.650 ( -1.790 -1.456 2.305) 3.261 4.722 ( -2.646 0.180 3.300) 4.234 4.757 ( 2.728 -0.089 -3.677) 4.580 4.773 ( -2.049 1.935 3.416) 4.428 4.836 ( -0.278 0.594 -1.079) 1.263 4.942 ( 3.683 2.923 -5.726) 7.409 5.427 ( -1.069 10.727 0.308) 10.785 5.445 ( -0.036 11.081 -0.222) 11.083 5.479 ( -0.191 11.882 0.572) 11.898 5.490 ( 0.424 11.570 -0.361) 11.583 5.621 ( -0.354 8.000 -0.260) 8.012 5.627 ( -0.537 8.765 -0.452) 8.793 5.659 ( -0.415 4.834 0.534) 4.881 5.683 ( 0.558 5.398 0.279) 5.434 5.996 ( -0.434 -14.511 1.519) 14.596 6.011 ( 0.730 -16.392 -1.135) 16.448 6.096 ( -2.510 -9.804 1.815) 10.282 6.136 ( -0.614 -12.437 -0.562) 12.465 6.282 ( -2.979 -4.168 1.437) 5.321 6.393 ( 3.025 -2.346 -2.848) 4.771 6.448 ( -3.682 -1.296 8.371) 9.236 6.636 ( 6.572 0.172 -6.277) 9.090 6.787 ( -0.535 -2.784 -3.099) 4.200 6.860 ( 3.258 -0.809 2.500) 4.185 6.999 ( -1.760 -0.990 -2.717) 3.385 7.032 ( -0.115 1.666 1.896) 2.526 ======================= Grid point 170 (75/115) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.580 -3.206 -2.761) 4.270 1.234 ( 0.185 -1.070 1.723) 2.036 1.294 ( -0.681 -1.590 1.030) 2.013 1.336 ( -0.007 -2.477 1.858) 3.097 1.437 ( -0.603 -3.573 1.262) 3.837 1.494 ( 1.663 -0.154 -0.324) 1.702 1.524 ( -2.206 -1.070 3.793) 4.517 1.618 ( -1.122 -1.559 -1.347) 2.346 1.718 ( 1.780 1.147 -1.146) 2.408 1.804 ( -2.215 -2.899 4.294) 5.635 1.841 ( -0.470 -0.974 1.573) 1.909 1.859 ( -1.816 -1.975 -0.262) 2.696 1.900 ( -0.667 -0.073 -1.023) 1.223 1.971 ( -1.350 -6.259 0.429) 6.417 2.003 ( 0.457 -1.704 -0.946) 2.002 2.088 ( -0.061 -2.224 3.015) 3.747 2.139 ( 1.341 3.397 -0.603) 3.701 2.195 ( -1.073 0.005 1.558) 1.892 2.255 ( 0.082 -1.176 3.086) 3.303 2.289 ( -3.177 -5.385 -0.188) 6.255 2.362 ( 2.864 1.151 -4.956) 5.838 2.427 ( 3.903 1.828 0.983) 4.421 2.431 ( -0.072 -2.247 -0.924) 2.431 2.505 ( 3.257 3.731 -5.213) 7.190 2.789 ( -0.817 -0.695 0.786) 1.330 2.869 ( -1.209 -0.215 1.485) 1.927 2.889 ( 0.606 -0.140 -3.949) 3.997 3.007 ( 2.545 -0.031 -2.490) 3.561 3.280 ( -1.342 -9.576 0.773) 9.701 3.341 ( 0.922 -7.916 -1.246) 8.067 3.378 ( 0.329 -8.825 -1.489) 8.956 3.405 ( 0.274 -5.866 0.116) 5.873 3.508 ( -0.279 -5.858 1.017) 5.952 3.525 ( 0.379 -6.421 -1.650) 6.641 3.548 ( -0.226 -6.095 0.075) 6.099 3.577 ( 1.197 -5.704 -0.820) 5.886 3.955 ( -1.554 0.313 3.392) 3.744 3.975 ( 1.153 -1.682 -1.932) 2.809 4.038 ( -0.023 -1.544 -0.156) 1.552 4.045 ( 0.014 -1.750 0.836) 1.940 4.315 ( -0.934 -0.118 0.160) 0.955 4.371 ( -1.110 -0.862 0.506) 1.494 4.390 ( 0.011 -0.599 0.820) 1.015 4.424 ( 1.435 0.577 -0.741) 1.715 4.625 ( -1.165 -0.675 2.222) 2.599 4.648 ( 0.240 -0.603 0.143) 0.664 4.675 ( -2.184 -1.091 2.930) 3.814 4.719 ( -2.855 0.567 4.658) 5.492 4.728 ( -2.828 1.404 5.063) 5.967 4.770 ( 2.130 -0.092 -3.305) 3.933 4.840 ( 2.595 -1.355 -4.946) 5.748 4.884 ( 3.577 2.810 -5.730) 7.316 5.256 ( -0.735 5.367 0.129) 5.418 5.273 ( -0.563 5.234 -0.044) 5.265 5.289 ( 0.622 6.323 0.349) 6.363 5.312 ( 0.257 5.807 -0.256) 5.819 5.485 ( -0.557 4.164 0.041) 4.201 5.495 ( 0.464 4.051 -0.663) 4.131 5.554 ( -0.538 4.005 0.541) 4.077 5.582 ( -0.195 3.638 0.268) 3.653 6.167 ( -1.302 -1.533 1.694) 2.630 6.181 ( -0.740 -4.507 1.428) 4.785 6.256 ( -0.015 -6.009 0.131) 6.010 6.304 ( -1.003 -4.797 -0.018) 4.900 6.367 ( -0.131 -3.342 -0.270) 3.356 6.457 ( 0.314 -0.922 1.455) 1.751 6.486 ( -1.998 -3.131 3.544) 5.134 6.625 ( 4.423 0.844 -6.432) 7.851 6.848 ( 1.000 -2.335 -0.072) 2.541 6.905 ( 1.743 -1.853 0.414) 2.578 6.985 ( -2.322 2.723 1.875) 4.040 7.000 ( 0.353 -0.497 -2.861) 2.925 ======================= Grid point 171 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -2.757 6.910 2.591) 7.878 1.258 ( -2.232 3.956 3.639) 5.820 1.300 ( 1.108 -2.752 -3.088) 4.282 1.339 ( -1.187 2.083 1.276) 2.716 1.448 ( 0.999 2.789 -0.209) 2.970 1.480 ( -1.984 1.243 1.928) 3.033 1.555 ( 0.073 -0.757 1.571) 1.745 1.616 ( 1.358 1.064 -2.423) 2.974 1.687 ( 0.119 2.950 2.243) 3.708 1.824 ( -2.096 1.935 0.512) 2.898 1.835 ( 0.486 1.383 2.139) 2.593 1.863 ( 0.173 0.373 -0.620) 0.744 1.898 ( 0.195 -0.361 0.887) 0.978 1.971 ( -0.395 3.679 -0.663) 3.760 2.019 ( 1.604 4.177 -1.448) 4.703 2.105 ( -2.948 -1.839 2.478) 4.267 2.140 ( 1.563 -2.830 -0.675) 3.303 2.158 ( -1.090 3.680 2.396) 4.524 2.264 ( -2.963 1.447 3.692) 4.950 2.317 ( 2.648 2.315 -5.060) 6.162 2.357 ( -0.128 -0.187 -0.464) 0.517 2.405 ( -1.121 -0.350 1.817) 2.164 2.461 ( -0.482 -0.506 -3.002) 3.082 2.476 ( 3.554 -1.340 -3.966) 5.492 2.793 ( 0.726 0.608 0.632) 1.139 2.870 ( -0.698 -0.056 1.297) 1.474 2.883 ( 1.617 0.261 -3.552) 3.912 3.008 ( 1.712 0.228 -2.608) 3.128 3.303 ( -0.234 6.976 -0.854) 7.032 3.328 ( 1.032 9.373 -0.348) 9.436 3.361 ( -0.544 9.694 0.022) 9.710 3.408 ( 0.438 5.983 -0.300) 6.007 3.500 ( -0.294 6.839 0.681) 6.879 3.535 ( 0.797 5.422 -1.199) 5.610 3.551 ( 0.121 5.860 -0.310) 5.870 3.570 ( 0.667 6.471 -0.377) 6.516 3.925 ( -2.188 2.307 2.825) 4.253 3.992 ( -0.152 0.510 1.003) 1.136 4.031 ( 0.352 1.402 -1.428) 2.032 4.072 ( 0.439 -0.000 -0.840) 0.948 4.316 ( -0.216 -0.259 0.032) 0.339 4.372 ( -0.295 0.727 0.438) 0.899 4.397 ( -0.943 -0.299 1.149) 1.516 4.411 ( 0.259 1.080 -0.465) 1.204 4.622 ( -1.693 1.013 1.860) 2.712 4.651 ( 0.227 0.608 0.444) 0.787 4.683 ( -2.529 0.279 3.361) 4.216 4.699 ( -1.996 0.253 5.089) 5.473 4.743 ( -2.954 -2.138 4.408) 5.720 4.761 ( 2.001 0.913 -3.557) 4.182 4.846 ( 2.766 0.949 -4.378) 5.265 4.882 ( 3.550 -2.762 -6.152) 7.621 5.255 ( -0.024 -5.558 0.238) 5.564 5.275 ( 0.778 -5.345 -0.249) 5.407 5.289 ( -0.607 -5.950 0.431) 5.996 5.312 ( -0.097 -5.996 -0.309) 6.005 5.482 ( -0.048 -4.033 0.346) 4.048 5.490 ( 0.239 -3.618 -0.275) 3.636 5.557 ( 0.339 -4.155 0.225) 4.175 5.585 ( 0.071 -3.939 -0.024) 3.940 6.158 ( -1.183 2.920 1.860) 3.659 6.190 ( -0.582 3.588 0.961) 3.759 6.277 ( 1.144 3.787 -0.837) 4.044 6.295 ( -1.000 5.351 0.433) 5.461 6.365 ( 1.473 3.798 -0.192) 4.078 6.426 ( -0.927 4.083 2.524) 4.889 6.507 ( -2.634 -0.053 3.223) 4.163 6.633 ( 3.799 -0.735 -7.176) 8.153 6.826 ( -1.965 4.350 1.461) 4.992 6.934 ( -1.093 -0.506 -1.806) 2.170 6.949 ( -0.932 0.385 2.096) 2.326 7.020 ( 2.895 -1.622 -1.739) 3.747 ======================= Grid point 172 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -1.302 10.752 4.792) 11.843 1.136 ( -5.053 7.487 7.995) 12.063 1.247 ( -2.615 6.069 -2.087) 6.930 1.331 ( 2.211 0.098 -3.401) 4.058 1.370 ( 0.908 5.119 -1.217) 5.340 1.423 ( -3.036 4.085 2.177) 5.536 1.547 ( -0.017 2.211 2.347) 3.224 1.580 ( 4.613 3.772 -3.087) 6.711 1.619 ( -2.628 4.384 5.622) 7.598 1.727 ( 1.107 8.964 -0.970) 9.084 1.741 ( 0.788 8.793 0.421) 8.838 1.807 ( 0.638 7.855 -1.062) 7.952 1.861 ( 0.237 4.821 -2.824) 5.592 1.907 ( 0.038 2.303 -1.089) 2.548 1.951 ( 0.447 2.800 1.761) 3.338 2.054 ( -5.561 3.924 8.302) 10.735 2.095 ( -2.135 1.723 -1.161) 2.979 2.179 ( 2.578 2.609 -0.103) 3.669 2.244 ( 0.112 1.612 -3.041) 3.444 2.266 ( 0.374 -0.535 -1.131) 1.306 2.330 ( -0.547 2.391 2.507) 3.507 2.402 ( 0.433 2.628 -5.862) 6.439 2.453 ( -5.073 -0.512 3.072) 5.953 2.501 ( 4.234 0.913 -4.762) 6.437 2.772 ( 2.111 3.279 0.535) 3.937 2.851 ( -2.086 2.616 0.444) 3.375 2.870 ( 3.384 2.523 -0.985) 4.334 2.976 ( -0.478 5.664 -1.454) 5.867 3.045 ( 0.368 16.037 -1.886) 16.152 3.054 ( 1.160 17.627 1.903) 17.768 3.101 ( 1.414 12.669 -2.219) 12.939 3.198 ( 0.111 13.804 -1.814) 13.923 3.298 ( 0.389 12.040 1.077) 12.094 3.358 ( 0.994 11.262 -1.310) 11.382 3.366 ( 0.505 11.358 -0.057) 11.369 3.387 ( 0.571 10.468 -0.878) 10.520 3.884 ( -1.947 1.517 3.047) 3.922 3.966 ( -1.057 1.632 1.976) 2.772 4.001 ( 0.596 1.422 -2.260) 2.735 4.050 ( 0.055 1.525 -0.982) 1.814 4.325 ( 0.222 -0.660 -0.260) 0.743 4.358 ( 0.300 0.617 0.467) 0.830 4.384 ( 0.561 1.095 -0.558) 1.351 4.411 ( -2.088 -1.236 1.652) 2.935 4.595 ( -1.913 1.152 2.743) 3.537 4.639 ( 0.561 0.647 -0.741) 1.132 4.660 ( -2.880 1.521 4.080) 5.221 4.716 ( -1.009 -0.868 2.981) 3.264 4.745 ( 2.260 0.236 -3.466) 4.144 4.784 ( -0.851 -1.637 1.171) 2.185 4.847 ( -0.138 -1.118 0.629) 1.290 4.935 ( 3.738 -2.503 -6.300) 7.742 5.431 ( 0.703 -11.077 0.004) 11.099 5.443 ( 0.322 -10.710 -0.129) 10.716 5.475 ( -0.539 -11.935 0.765) 11.972 5.492 ( 0.056 -11.353 -0.348) 11.359 5.613 ( 0.913 -8.138 0.407) 8.199 5.622 ( 0.258 -8.635 -0.010) 8.639 5.663 ( -0.451 -4.971 0.214) 4.996 5.691 ( -0.246 -5.355 -0.322) 5.370 5.975 ( -0.946 15.675 1.775) 15.804 6.025 ( -0.134 15.098 -0.907) 15.126 6.110 ( -0.224 11.149 1.800) 11.296 6.126 ( 2.093 12.138 -0.865) 12.348 6.312 ( -0.066 2.277 2.300) 3.237 6.347 ( 1.542 2.580 -2.167) 3.705 6.511 ( -6.417 -0.858 5.598) 8.559 6.624 ( 3.433 1.045 -8.091) 8.851 6.728 ( -1.526 4.290 2.267) 5.086 6.913 ( -1.833 0.589 -2.491) 3.148 6.951 ( 0.699 0.335 1.901) 2.052 7.057 ( 1.627 -0.802 -0.599) 1.911 ======================= Grid point 173 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 2.321 11.905 8.379) 14.742 0.993 ( -5.881 7.477 12.006) 15.318 1.090 ( -2.730 6.748 -5.594) 9.181 1.250 ( -0.167 9.345 -2.296) 9.625 1.256 ( -2.724 9.911 -0.259) 10.282 1.332 ( 0.267 2.527 -3.094) 4.003 1.429 ( 2.876 11.592 1.910) 12.095 1.477 ( -1.223 10.115 2.789) 10.564 1.517 ( -0.997 8.796 0.082) 8.853 1.536 ( -1.417 8.572 5.246) 10.149 1.558 ( 3.381 5.902 -1.425) 6.950 1.617 ( 1.326 9.598 -0.899) 9.731 1.702 ( 1.181 10.436 1.263) 10.578 1.814 ( 0.055 4.397 -4.486) 6.282 1.941 ( -2.392 1.161 3.430) 4.340 2.013 ( -4.952 1.258 5.776) 7.711 2.039 ( -0.994 3.122 -3.294) 4.646 2.099 ( 4.789 7.733 -1.570) 9.230 2.129 ( -1.383 7.802 0.522) 7.941 2.195 ( -2.873 11.357 -1.326) 11.790 2.296 ( 1.019 1.429 -1.058) 2.049 2.307 ( -0.069 7.319 0.050) 7.320 2.384 ( 0.336 8.892 0.911) 8.945 2.425 ( 2.171 2.437 -5.323) 6.244 2.662 ( -1.040 7.765 1.236) 7.931 2.672 ( 0.099 11.962 -0.813) 11.990 2.747 ( 0.260 8.726 0.385) 8.738 2.767 ( -1.353 10.045 2.167) 10.365 2.821 ( 2.059 5.726 -4.075) 7.323 2.864 ( 0.946 6.876 -1.358) 7.072 2.944 ( 1.435 7.930 -0.241) 8.062 2.983 ( 1.412 5.850 -1.716) 6.258 3.148 ( 0.085 2.947 1.714) 3.410 3.174 ( 0.631 6.483 -0.583) 6.539 3.218 ( 1.337 3.488 -0.759) 3.812 3.265 ( 3.230 1.661 -3.844) 5.288 3.866 ( -1.181 0.562 2.884) 3.166 3.945 ( -0.081 0.720 0.404) 0.830 3.970 ( -1.061 0.981 -0.243) 1.465 4.025 ( 0.071 0.696 -0.885) 1.128 4.334 ( -0.236 -0.132 -0.597) 0.655 4.352 ( -0.013 0.297 -0.194) 0.355 4.382 ( 2.633 -0.352 0.569) 2.716 4.432 ( -2.805 -1.628 1.763) 3.691 4.580 ( -1.962 0.737 4.010) 4.525 4.616 ( -2.752 1.622 3.258) 4.563 4.641 ( 1.052 0.316 -1.209) 1.633 4.709 ( 1.932 1.118 -4.209) 4.764 4.778 ( -0.146 -2.570 2.369) 3.499 4.816 ( 1.260 -2.210 -0.615) 2.617 4.882 ( -2.530 -2.046 3.978) 5.139 4.976 ( 3.998 -1.664 -6.200) 7.563 5.563 ( 0.762 19.460 0.498) 19.481 5.586 ( 0.060 8.517 1.139) 8.593 5.607 ( -1.862 13.842 0.557) 13.978 5.639 ( -0.361 -1.150 -0.802) 1.447 5.664 ( 0.386 -2.776 0.392) 2.830 5.678 ( 0.084 -4.586 -0.627) 4.629 5.721 ( 0.069 -6.339 0.109) 6.341 5.724 ( -0.218 -8.606 0.160) 8.611 5.804 ( 0.919 -5.751 0.731) 5.869 5.844 ( -0.197 -6.943 -0.326) 6.954 5.953 ( 1.761 2.723 0.171) 3.247 5.965 ( 1.624 1.980 -0.500) 2.609 6.271 ( -2.963 2.442 4.042) 5.575 6.328 ( 3.005 0.457 -4.452) 5.391 6.485 ( -10.416 0.787 4.585) 11.408 6.580 ( 3.193 2.555 -8.421) 9.361 6.696 ( 2.293 0.213 4.677) 5.213 6.890 ( -2.070 -0.268 -2.691) 3.406 6.954 ( 2.309 0.717 1.814) 3.023 7.058 ( -0.537 0.725 -0.245) 0.935 ======================= Grid point 174 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 7.318 7.623 13.097) 16.829 0.772 ( -1.823 21.256 7.766) 22.704 0.928 ( -3.484 10.395 -5.629) 12.324 0.973 ( -2.196 8.228 -3.813) 9.331 1.012 ( -3.864 9.052 7.714) 12.505 1.241 ( -0.216 5.731 -4.846) 7.509 1.277 ( -2.249 8.436 3.515) 9.412 1.328 ( -1.665 6.216 1.492) 6.606 1.364 ( 1.612 4.900 0.652) 5.200 1.371 ( 0.956 4.226 -1.479) 4.578 1.450 ( -0.561 3.252 2.845) 4.357 1.547 ( -0.200 4.579 -1.045) 4.701 1.581 ( 1.109 1.881 3.612) 4.221 1.664 ( 0.161 8.766 -0.233) 8.771 1.807 ( 1.829 12.724 0.771) 12.878 1.895 ( -1.752 11.112 -0.225) 11.252 1.917 ( 0.653 8.659 0.396) 8.693 1.960 ( -0.076 1.843 -3.408) 3.875 1.995 ( -6.838 2.086 4.116) 8.250 2.085 ( 5.749 1.855 -6.568) 8.923 2.115 ( -3.644 3.910 4.971) 7.300 2.248 ( 0.801 3.710 -2.800) 4.717 2.293 ( -1.578 3.310 3.885) 5.342 2.372 ( 4.841 3.039 -6.711) 8.815 2.512 ( 1.221 4.797 -1.809) 5.270 2.515 ( -3.193 5.769 0.138) 6.595 2.637 ( -0.568 3.150 2.982) 4.375 2.655 ( -1.550 2.000 0.969) 2.710 2.729 ( -0.180 4.318 -2.354) 4.921 2.755 ( 4.655 2.803 -6.060) 8.139 2.840 ( -2.800 3.312 4.222) 6.053 2.917 ( 5.716 2.602 -5.044) 8.055 3.123 ( 0.555 0.485 2.097) 2.222 3.165 ( -1.377 -2.767 2.531) 3.994 3.204 ( 1.236 -0.418 -1.545) 2.022 3.284 ( 5.244 -1.521 -5.818) 7.979 3.865 ( -0.781 0.101 2.702) 2.815 3.929 ( -0.724 0.463 -1.956) 2.136 3.962 ( -0.433 -0.073 2.728) 2.763 4.018 ( 0.228 -0.108 -0.951) 0.984 4.327 ( -0.486 0.209 -0.353) 0.636 4.344 ( -0.235 0.316 -0.791) 0.884 4.419 ( 4.127 -0.915 0.982) 4.340 4.448 ( -3.763 -0.957 2.008) 4.371 4.552 ( -3.507 2.532 6.063) 7.447 4.588 ( -2.589 0.672 2.875) 3.927 4.635 ( 3.058 0.762 -3.254) 4.530 4.679 ( 2.604 1.556 -5.677) 6.437 4.837 ( -1.207 -2.499 4.270) 5.093 4.890 ( 1.396 -4.515 0.123) 4.728 4.914 ( -2.441 -1.346 3.471) 4.452 4.998 ( 3.979 -0.218 -5.749) 6.995 5.211 ( 0.645 14.609 1.223) 14.675 5.251 ( -1.973 14.538 -0.405) 14.677 5.340 ( -0.098 12.007 2.423) 12.249 5.403 ( 2.099 13.039 -3.233) 13.597 5.811 ( 0.661 -5.279 -0.052) 5.321 5.815 ( -0.040 -5.043 -0.122) 5.045 5.881 ( -0.322 -6.354 0.449) 6.378 5.885 ( 0.355 -6.022 -0.045) 6.032 5.919 ( 0.465 -4.021 1.100) 4.195 5.959 ( -0.040 -1.536 -1.029) 1.849 5.974 ( 1.622 -4.448 -0.201) 4.739 5.989 ( -0.966 -2.769 -0.208) 2.940 6.216 ( -3.933 2.409 5.302) 7.027 6.321 ( 3.152 0.393 -5.313) 6.190 6.416 ( -11.496 1.462 4.540) 12.446 6.519 ( 3.763 2.661 -7.901) 9.147 6.753 ( 4.430 -2.185 4.762) 6.861 6.884 ( -2.406 -0.933 -2.536) 3.618 6.960 ( 3.431 0.728 1.824) 3.953 7.030 ( -2.132 1.154 -0.258) 2.438 ======================= Grid point 176 (80/115) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 3.715 0.000 11.019) 11.628 0.637 ( 0.509 0.000 -9.005) 9.019 0.699 ( -7.314 -0.000 -14.421) 16.170 0.759 ( 5.019 0.000 12.314) 13.297 1.083 ( -6.854 -0.000 -0.652) 6.885 1.097 ( 3.075 0.000 14.425) 14.749 1.198 ( -1.551 -0.000 5.194) 5.420 1.231 ( 2.656 0.000 -7.915) 8.348 1.262 ( -5.836 -0.000 2.933) 6.532 1.396 ( 1.400 0.000 -1.096) 1.778 1.434 ( -2.964 -0.000 0.836) 3.080 1.491 ( 4.160 0.000 2.595) 4.902 1.517 ( -2.330 -0.000 1.103) 2.578 1.593 ( -0.344 -0.000 -4.168) 4.182 1.735 ( -0.217 -0.000 2.006) 2.017 1.779 ( 2.388 0.000 -4.986) 5.528 1.810 ( -4.510 -0.000 8.761) 9.854 1.892 ( 1.091 0.000 -7.384) 7.464 1.937 ( -3.115 -0.000 4.838) 5.754 2.093 ( -3.735 -0.000 8.589) 9.366 2.109 ( 5.221 0.000 -5.101) 7.299 2.189 ( 1.225 0.000 -3.627) 3.828 2.253 ( -2.719 -0.000 1.171) 2.961 2.342 ( 3.387 0.000 -4.384) 5.540 2.415 ( -1.935 -0.000 1.947) 2.745 2.501 ( 4.899 0.000 -2.531) 5.514 2.624 ( -2.133 -0.000 1.880) 2.844 2.659 ( 1.269 0.000 2.262) 2.594 2.672 ( 1.675 0.000 -2.796) 3.260 2.738 ( 5.157 0.000 -7.798) 9.349 2.779 ( -4.891 -0.000 3.828) 6.211 2.934 ( 5.118 0.000 -6.218) 8.054 3.140 ( -1.447 -0.000 1.623) 2.174 3.181 ( -5.419 -0.000 5.176) 7.493 3.200 ( 2.719 0.000 -6.049) 6.632 3.322 ( 3.671 0.000 -6.190) 7.196 3.890 ( 1.109 0.000 2.885) 3.091 3.921 ( 2.768 0.000 -3.396) 4.381 3.986 ( -0.794 -0.000 2.845) 2.954 4.008 ( -0.010 -0.000 -2.042) 2.042 4.328 ( 0.080 0.000 -0.600) 0.605 4.331 ( 0.955 0.000 0.211) 0.978 4.405 ( -4.328 -0.000 1.247) 4.504 4.499 ( 3.792 0.000 -0.323) 3.806 4.511 ( -4.523 -0.000 6.141) 7.627 4.565 ( -2.949 -0.000 3.802) 4.812 4.638 ( 1.264 0.000 -3.644) 3.857 4.657 ( 5.042 0.000 -5.730) 7.633 4.871 ( -4.017 -0.000 6.824) 7.918 4.923 ( -3.043 -0.000 1.137) 3.248 4.932 ( -1.851 -0.000 -1.669) 2.493 4.996 ( 2.315 0.000 -3.587) 4.269 5.061 ( -0.898 -0.000 -0.155) 0.911 5.110 ( 2.565 0.000 -0.535) 2.620 5.215 ( -2.994 -0.000 0.181) 3.000 5.262 ( -1.066 -0.000 -0.737) 1.296 5.839 ( -0.692 -0.000 0.829) 1.080 5.864 ( 1.025 0.000 -1.115) 1.514 5.940 ( -0.095 -0.000 0.004) 0.095 5.944 ( 0.331 0.000 0.045) 0.334 5.969 ( -0.044 -0.000 0.613) 0.614 5.970 ( -0.273 -0.000 -0.561) 0.624 6.014 ( -1.089 -0.000 1.021) 1.493 6.038 ( 0.687 0.000 -0.772) 1.033 6.193 ( -3.905 -0.000 6.579) 7.651 6.317 ( 4.351 0.000 -5.909) 7.338 6.334 ( -3.387 -0.000 8.111) 8.790 6.521 ( 7.672 0.000 -4.323) 8.806 6.827 ( -2.184 -0.000 -3.788) 4.373 6.897 ( 6.093 0.000 0.167) 6.095 6.957 ( -4.251 -0.000 -1.368) 4.466 7.021 ( 2.861 0.000 1.179) 3.094 ======================= Grid point 177 (81/115) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -3.618 -6.116 -11.884) 13.846 0.841 ( 2.009 -8.956 6.468) 11.228 0.883 ( 2.761 -19.183 5.896) 20.257 0.900 ( 2.351 -17.129 -1.074) 17.323 1.134 ( -2.237 -4.127 6.029) 7.641 1.174 ( 0.930 -3.462 -0.685) 3.649 1.244 ( -5.690 -5.095 3.384) 8.354 1.260 ( -2.767 -7.232 3.533) 8.511 1.380 ( 0.631 -12.222 -2.182) 12.431 1.401 ( 0.994 -1.434 0.040) 1.746 1.457 ( -2.395 -1.951 1.830) 3.591 1.518 ( 0.630 -4.750 -2.616) 5.460 1.603 ( -1.797 -2.388 1.040) 3.164 1.698 ( 3.371 -11.093 -0.392) 11.600 1.834 ( 0.115 -6.839 -5.090) 8.527 1.851 ( -5.902 -7.022 6.343) 11.153 1.894 ( -0.144 -12.320 0.636) 12.337 1.941 ( -0.965 -0.860 4.172) 4.367 1.955 ( -0.295 -6.962 -1.697) 7.172 2.111 ( -3.225 -1.781 7.593) 8.440 2.140 ( 4.006 -2.751 -1.875) 5.209 2.222 ( 1.159 -3.879 -4.189) 5.825 2.290 ( -1.166 -4.082 0.192) 4.250 2.388 ( 4.059 -3.420 -5.315) 7.511 2.468 ( -1.261 -5.815 2.088) 6.306 2.570 ( 4.398 -5.025 -1.254) 6.795 2.637 ( -1.409 -2.522 1.805) 3.406 2.670 ( 1.148 -1.451 0.659) 1.964 2.716 ( 1.529 -3.850 -2.036) 4.616 2.775 ( 4.028 -3.147 -5.667) 7.631 2.810 ( -3.610 -5.072 2.672) 6.774 2.944 ( 2.654 -0.745 -5.847) 6.465 3.127 ( -2.717 0.471 1.408) 3.097 3.152 ( -1.866 0.920 1.835) 2.774 3.196 ( 1.297 -0.174 -3.353) 3.599 3.292 ( 2.733 2.327 -6.514) 7.437 3.898 ( 0.789 0.388 0.410) 0.970 3.920 ( 1.779 0.229 -0.150) 1.800 3.987 ( -0.901 0.110 1.517) 1.768 3.995 ( -0.159 0.389 -0.901) 0.994 4.328 ( 0.040 -0.054 0.083) 0.106 4.341 ( 0.745 -0.186 0.355) 0.846 4.382 ( -3.671 0.467 0.361) 3.718 4.497 ( 2.419 1.397 -0.428) 2.826 4.541 ( -3.627 -2.625 4.741) 6.521 4.582 ( -1.875 -1.399 4.373) 4.959 4.640 ( 0.997 -0.352 -3.150) 3.322 4.687 ( 4.523 -1.661 -5.183) 7.077 4.846 ( -3.247 4.328 1.312) 5.568 4.859 ( -4.569 1.532 5.990) 7.688 4.891 ( -1.439 2.143 -1.728) 3.106 5.012 ( 3.424 0.088 -4.863) 5.948 5.200 ( -1.635 -14.679 0.429) 14.776 5.270 ( 2.395 -14.684 0.882) 14.904 5.340 ( -2.043 -13.604 1.909) 13.889 5.375 ( -1.119 -12.492 -2.478) 12.784 5.799 ( -1.174 5.019 0.198) 5.159 5.821 ( 0.311 5.473 -0.470) 5.502 5.878 ( -0.325 6.488 0.412) 6.509 5.889 ( 0.197 6.001 -0.335) 6.014 5.926 ( -0.979 3.884 -0.990) 4.126 5.941 ( -0.698 1.738 0.780) 2.029 5.956 ( -0.942 5.048 0.727) 5.187 6.000 ( 0.516 3.429 -0.143) 3.470 6.211 ( -3.246 -1.407 5.531) 6.565 6.334 ( 4.006 -1.183 -3.975) 5.766 6.376 ( -1.419 -2.240 6.990) 7.476 6.571 ( 8.065 -1.885 -3.301) 8.916 6.788 ( -1.417 1.423 -4.662) 5.076 6.898 ( 4.838 2.221 0.770) 5.379 6.943 ( -4.115 -1.331 -1.561) 4.598 7.044 ( 2.036 -0.567 0.813) 2.265 ======================= Grid point 178 (82/115) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.362 -10.397 -8.039) 13.148 1.032 ( 2.129 -8.988 7.377) 11.821 1.168 ( 3.187 -5.789 -5.732) 8.748 1.192 ( 2.815 -3.752 8.183) 9.432 1.201 ( -4.631 -7.875 4.404) 10.141 1.329 ( 1.845 -10.496 -1.104) 10.714 1.396 ( -7.236 -8.735 0.006) 11.343 1.440 ( -3.050 -13.127 2.551) 13.716 1.507 ( -0.272 -9.551 1.638) 9.694 1.550 ( -0.485 -5.317 -2.422) 5.863 1.580 ( -0.974 -8.020 1.882) 8.295 1.626 ( 0.207 -11.259 -1.784) 11.401 1.718 ( 0.126 -7.214 0.385) 7.225 1.793 ( 1.859 -3.107 -2.934) 4.661 1.931 ( -3.709 -2.286 3.863) 5.823 2.009 ( 0.309 -3.328 1.515) 3.670 2.030 ( -3.062 -6.932 3.282) 8.258 2.038 ( -1.919 -3.010 7.783) 8.562 2.139 ( 2.090 -9.034 -3.259) 9.828 2.243 ( 3.383 -3.601 -1.391) 5.132 2.278 ( -1.007 -15.096 -0.175) 15.131 2.312 ( 1.076 -5.210 -2.045) 5.699 2.371 ( 0.158 -5.972 -0.072) 5.974 2.451 ( 4.287 -1.938 -4.027) 6.193 2.651 ( -0.418 -12.490 1.275) 12.562 2.696 ( 0.731 -6.332 -0.164) 6.376 2.742 ( -0.564 -8.811 1.334) 8.929 2.769 ( 0.628 -7.571 -2.138) 7.892 2.854 ( 1.459 -7.797 -0.013) 7.932 2.860 ( 2.594 -9.209 -4.466) 10.558 2.939 ( -0.911 -7.871 -1.375) 8.042 2.962 ( -0.657 -2.920 -0.524) 3.038 3.144 ( -1.675 -5.137 0.291) 5.411 3.180 ( 0.649 -4.802 -1.296) 5.016 3.229 ( 0.699 -4.642 -1.388) 4.895 3.254 ( 1.250 -0.567 -4.733) 4.928 3.905 ( 0.679 -1.151 -1.087) 1.723 3.930 ( 0.428 -0.373 1.867) 1.952 3.983 ( -0.563 -0.397 -1.023) 1.233 3.999 ( -0.638 -0.567 2.307) 2.460 4.326 ( -0.254 0.416 0.567) 0.748 4.349 ( 0.089 -0.326 0.344) 0.482 4.361 ( -1.974 -0.102 0.119) 1.981 4.474 ( 1.879 1.849 -0.786) 2.751 4.584 ( -2.226 -2.134 2.811) 4.173 4.614 ( -1.115 -1.178 4.334) 4.627 4.638 ( 0.629 0.037 -1.892) 1.994 4.718 ( 1.491 -0.666 -2.012) 2.592 4.765 ( -1.538 1.817 -0.519) 2.436 4.817 ( -1.315 2.471 2.263) 3.599 4.850 ( -2.588 1.228 1.879) 3.426 4.991 ( 3.422 2.000 -5.454) 6.742 5.541 ( -1.624 -15.854 0.845) 15.960 5.613 ( 0.316 -4.869 -1.337) 5.059 5.621 ( 0.102 -8.613 2.030) 8.849 5.630 ( 1.577 -12.714 -0.124) 12.812 5.656 ( -0.916 4.352 0.090) 4.448 5.682 ( 0.512 2.559 -0.444) 2.647 5.720 ( -0.321 7.187 0.107) 7.195 5.727 ( 0.263 8.021 -0.079) 8.026 5.807 ( -1.067 6.502 -1.177) 6.693 5.843 ( 0.395 4.957 0.329) 4.984 5.920 ( -2.941 -2.312 0.553) 3.782 5.945 ( -2.216 -0.511 0.253) 2.289 6.234 ( -2.959 -1.063 4.239) 5.278 6.369 ( 3.565 -1.335 -3.540) 5.198 6.429 ( -2.213 -1.715 7.770) 8.259 6.645 ( 8.722 -1.803 -3.644) 9.623 6.744 ( -0.966 0.329 -4.850) 4.956 6.889 ( 3.438 1.079 1.700) 3.984 6.951 ( -2.914 -1.808 -1.733) 3.842 7.057 ( 0.310 0.418 0.611) 0.802 ======================= Grid point 179 (83/115) ======================= q-point: ( 0.44 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 2.712 -9.647 -4.987) 11.193 1.220 ( 2.029 -5.892 5.047) 8.019 1.239 ( -3.692 -2.466 2.955) 5.334 1.265 ( 2.367 -4.544 -1.354) 5.300 1.344 ( -0.014 -5.290 1.981) 5.648 1.457 ( 1.398 -4.122 0.027) 4.353 1.471 ( -7.163 -3.790 2.378) 8.445 1.559 ( -0.920 -2.802 0.147) 2.953 1.703 ( -1.384 -8.598 0.714) 8.738 1.724 ( -0.899 -9.223 1.147) 9.337 1.733 ( 3.434 -1.672 -4.469) 5.879 1.785 ( -0.648 -9.121 1.424) 9.254 1.825 ( -1.949 -4.566 0.573) 4.997 1.881 ( 0.447 -3.169 1.359) 3.477 1.964 ( -0.906 -2.382 -0.537) 2.604 2.074 ( -2.045 -0.802 8.131) 8.423 2.082 ( -3.297 -5.450 3.349) 7.197 2.156 ( -2.490 -6.174 2.466) 7.099 2.239 ( 5.659 -1.211 -7.202) 9.239 2.249 ( 0.839 1.627 -0.176) 1.839 2.371 ( -1.280 -2.171 1.482) 2.924 2.395 ( 2.919 -0.204 -1.781) 3.425 2.474 ( 4.658 0.614 -2.799) 5.469 2.542 ( 2.391 -2.886 -3.684) 5.255 2.763 ( -0.297 -1.733 0.085) 1.761 2.825 ( -3.346 -4.003 1.086) 5.329 2.883 ( 2.042 -1.835 -2.306) 3.586 2.980 ( 0.445 -8.785 -0.101) 8.797 2.999 ( -2.160 -12.118 -0.100) 12.309 3.090 ( 2.464 -14.906 -1.671) 15.201 3.113 ( 1.083 -15.333 -3.233) 15.707 3.185 ( 0.441 -15.174 0.530) 15.190 3.319 ( -0.025 -11.814 -0.934) 11.851 3.332 ( -0.632 -11.015 -0.613) 11.050 3.366 ( -0.168 -10.632 -0.530) 10.647 3.393 ( 0.801 -11.426 -1.155) 11.512 3.939 ( 1.697 -1.888 -2.105) 3.298 3.951 ( -1.134 -0.997 3.162) 3.504 3.995 ( 0.078 -1.572 -1.139) 1.943 4.022 ( -0.906 -1.393 2.533) 3.029 4.317 ( 0.060 0.484 0.744) 0.890 4.352 ( -1.111 -0.495 0.364) 1.270 4.372 ( -0.266 -1.142 0.495) 1.273 4.447 ( 1.407 1.380 -1.026) 2.222 4.614 ( -0.603 -0.879 1.329) 1.704 4.636 ( 0.791 -0.607 -0.837) 1.302 4.647 ( -2.214 -1.370 3.960) 4.740 4.712 ( -3.499 -0.087 4.004) 5.318 4.762 ( 2.914 -0.313 -4.180) 5.105 4.775 ( -1.614 1.867 3.178) 4.023 4.827 ( -0.271 0.310 -0.737) 0.844 4.943 ( 3.470 2.934 -5.683) 7.276 5.418 ( -0.859 10.682 0.385) 10.723 5.442 ( -0.152 11.084 -0.227) 11.088 5.481 ( -0.070 11.713 0.528) 11.725 5.492 ( 0.341 11.412 -0.399) 11.424 5.609 ( -1.085 8.339 -0.571) 8.429 5.620 ( -0.412 7.697 -0.324) 7.715 5.663 ( 0.076 5.656 0.822) 5.716 5.689 ( 0.359 6.032 0.195) 6.045 5.998 ( -0.360 -14.488 0.892) 14.520 6.016 ( 1.055 -15.483 -0.514) 15.528 6.079 ( -2.629 -11.769 1.569) 12.160 6.123 ( -1.250 -12.850 -0.399) 12.917 6.265 ( -2.369 -3.939 2.208) 5.099 6.400 ( 2.243 -1.879 -3.662) 4.688 6.467 ( -2.965 -1.087 8.294) 8.875 6.660 ( 4.805 1.870 -6.166) 8.038 6.783 ( 3.450 -4.170 -1.973) 5.760 6.904 ( 2.238 -0.347 1.972) 3.003 6.968 ( -1.198 -1.579 -1.995) 2.812 7.029 ( -1.928 2.246 0.641) 3.029 ======================= Grid point 180 (84/115) ======================= q-point: ( 0.56 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 2.194 -3.021 -1.174) 3.914 1.241 ( -0.575 -0.522 1.345) 1.553 1.303 ( 0.888 -0.447 1.402) 1.718 1.344 ( -0.587 -1.892 1.522) 2.498 1.420 ( -3.130 -3.363 0.552) 4.628 1.503 ( 0.552 -0.046 -0.409) 0.688 1.518 ( -3.324 -3.099 3.462) 5.713 1.604 ( -0.065 -1.667 -1.169) 2.037 1.743 ( 4.341 1.088 -1.714) 4.792 1.803 ( -2.564 -3.195 2.059) 4.585 1.823 ( -4.592 -0.485 3.266) 5.656 1.849 ( 0.758 -2.915 -1.176) 3.233 1.903 ( 1.014 -0.442 0.823) 1.379 1.966 ( -0.288 -6.736 0.824) 6.792 2.009 ( 1.451 -0.927 -0.349) 1.757 2.085 ( -3.181 0.344 2.953) 4.354 2.151 ( 0.158 -0.459 -0.868) 0.994 2.192 ( -0.627 1.114 0.972) 1.606 2.262 ( -0.751 -3.574 -0.312) 3.665 2.276 ( -0.295 -1.375 3.610) 3.874 2.364 ( 3.154 1.614 -4.172) 5.473 2.416 ( -1.562 -1.047 -0.071) 1.882 2.468 ( 3.349 0.688 -1.971) 3.947 2.503 ( 2.427 4.240 -4.511) 6.650 2.792 ( 0.332 -1.060 0.795) 1.366 2.852 ( -1.742 -1.068 -0.179) 2.051 2.894 ( 2.945 0.312 -1.738) 3.434 3.006 ( 0.508 -0.221 -2.902) 2.954 3.279 ( -0.445 -9.583 1.653) 9.735 3.341 ( 0.859 -7.756 -1.649) 7.976 3.377 ( 0.879 -9.209 -0.991) 9.303 3.404 ( -0.251 -5.623 -0.246) 5.634 3.511 ( -0.572 -5.742 0.960) 5.850 3.519 ( 0.384 -6.889 -1.411) 7.043 3.546 ( -0.207 -6.202 -0.036) 6.206 3.580 ( 0.743 -5.811 -1.351) 6.012 3.954 ( -2.161 0.620 2.754) 3.555 3.981 ( 1.929 -1.796 -1.667) 3.119 4.037 ( -0.258 -1.365 0.192) 1.403 4.049 ( -0.249 -1.483 0.775) 1.692 4.316 ( 0.660 0.022 0.673) 0.943 4.363 ( -1.412 -0.960 0.875) 1.919 4.392 ( -0.255 -0.611 0.659) 0.934 4.430 ( 0.835 0.832 -1.130) 1.633 4.625 ( -1.232 -0.386 1.887) 2.286 4.653 ( 0.352 -0.675 -0.003) 0.761 4.671 ( -2.295 -0.974 3.363) 4.186 4.717 ( -3.133 -0.507 4.630) 5.613 4.731 ( -2.414 2.155 4.919) 5.888 4.770 ( 1.757 0.036 -3.181) 3.634 4.838 ( 2.959 -1.495 -5.027) 6.022 4.885 ( 3.478 2.805 -5.666) 7.216 5.251 ( -0.527 5.178 0.433) 5.222 5.270 ( 0.018 5.236 -0.166) 5.239 5.297 ( 0.468 6.154 0.320) 6.180 5.311 ( 0.010 6.047 -0.291) 6.054 5.477 ( -0.814 3.736 0.064) 3.824 5.495 ( 0.279 3.869 -0.650) 3.933 5.555 ( 0.099 3.828 0.427) 3.853 5.580 ( -0.569 3.682 0.318) 3.739 6.167 ( -0.813 -1.698 1.761) 2.578 6.183 ( -0.734 -4.179 1.598) 4.534 6.259 ( 0.375 -6.025 -0.027) 6.037 6.284 ( -2.592 -5.387 0.460) 5.996 6.374 ( 1.466 -3.866 -0.276) 4.144 6.456 ( -0.249 -2.990 -2.180) 3.709 6.491 ( -2.662 -0.701 6.160) 6.747 6.628 ( 3.856 1.152 -6.430) 7.585 6.866 ( 2.753 -1.823 -0.508) 3.340 6.924 ( 0.980 0.461 1.041) 1.502 6.964 ( -3.448 1.875 1.417) 4.172 6.992 ( 1.115 -1.548 -2.318) 3.002 ======================= Grid point 181 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.725 6.768 4.496) 8.158 1.260 ( -2.028 4.895 4.005) 6.642 1.291 ( 1.020 -1.506 -3.907) 4.310 1.334 ( -0.959 2.327 1.112) 2.752 1.442 ( -2.063 0.077 0.294) 2.085 1.469 ( -1.125 2.851 -0.115) 3.067 1.557 ( -1.972 -1.112 2.775) 3.581 1.613 ( 1.401 0.213 -2.666) 3.019 1.720 ( 3.135 3.442 1.744) 4.971 1.800 ( -3.400 0.579 1.359) 3.706 1.846 ( -2.740 -0.315 1.028) 2.943 1.854 ( 1.466 1.867 0.373) 2.402 1.923 ( 2.032 0.088 1.481) 2.516 1.971 ( 0.837 4.731 -0.617) 4.844 2.025 ( 1.640 3.641 -1.695) 4.338 2.074 ( -3.888 -1.253 -0.166) 4.088 2.150 ( 0.356 -1.262 0.951) 1.620 2.168 ( 0.354 1.845 1.288) 2.278 2.252 ( -4.044 2.000 3.923) 5.978 2.310 ( 0.673 1.473 -2.273) 2.791 2.357 ( 0.750 -1.096 -0.385) 1.383 2.410 ( -0.205 0.648 -0.447) 0.814 2.435 ( 0.338 1.878 -3.305) 3.817 2.487 ( 3.117 -1.829 -3.842) 5.274 2.807 ( 0.921 0.130 0.899) 1.293 2.856 ( -1.286 -0.193 -0.380) 1.355 2.902 ( 3.591 0.222 -1.143) 3.775 2.999 ( 0.150 0.069 -3.213) 3.217 3.300 ( 0.254 7.920 -0.126) 7.925 3.336 ( 0.822 8.361 -1.148) 8.479 3.362 ( 0.425 9.538 0.917) 9.591 3.408 ( 0.080 6.163 -0.601) 6.193 3.501 ( -0.367 6.614 0.846) 6.678 3.533 ( 0.535 5.256 -1.428) 5.473 3.551 ( 0.068 5.718 -0.044) 5.719 3.572 ( 0.323 6.485 -0.960) 6.563 3.923 ( -1.664 2.169 3.083) 4.120 4.002 ( 0.282 0.903 1.672) 1.921 4.020 ( -0.301 1.376 -2.184) 2.599 4.067 ( -0.046 0.373 -1.178) 1.237 4.324 ( 1.364 0.006 0.613) 1.495 4.369 ( -1.310 0.011 0.722) 1.496 4.393 ( -0.808 0.184 0.943) 1.255 4.410 ( 0.250 1.268 -0.788) 1.513 4.617 ( -1.765 1.085 2.461) 3.217 4.655 ( 0.315 0.691 -0.471) 0.894 4.679 ( -2.419 0.348 3.619) 4.367 4.710 ( -1.797 0.142 4.762) 5.092 4.738 ( -3.928 -2.155 5.341) 6.971 4.761 ( 2.616 0.839 -4.171) 4.994 4.848 ( 2.699 0.934 -4.370) 5.221 4.881 ( 3.602 -2.786 -6.133) 7.639 5.258 ( 0.219 -5.870 0.443) 5.891 5.283 ( -0.731 -6.240 0.232) 6.287 5.285 ( 1.166 -4.798 -0.266) 4.944 5.308 ( -0.407 -6.021 -0.212) 6.039 5.481 ( -0.389 -4.557 0.474) 4.598 5.493 ( 0.392 -3.768 -0.202) 3.794 5.563 ( 0.523 -3.989 0.105) 4.025 5.584 ( -0.342 -4.087 -0.129) 4.103 6.161 ( -0.800 2.975 2.151) 3.758 6.190 ( -0.596 3.501 0.796) 3.639 6.281 ( -2.067 5.275 0.972) 5.748 6.283 ( 1.439 3.316 -1.713) 4.000 6.387 ( 1.815 3.188 0.839) 3.764 6.428 ( -0.813 4.298 1.033) 4.494 6.495 ( -3.668 0.462 3.775) 5.284 6.624 ( 3.623 -0.339 -7.668) 8.488 6.825 ( -0.445 5.133 2.002) 5.528 6.909 ( -1.153 0.542 -2.163) 2.510 6.959 ( -0.175 -0.424 2.664) 2.703 7.034 ( 1.828 -2.030 -2.040) 3.409 ======================= Grid point 182 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 3.638 9.794 7.018) 12.586 1.145 ( -2.997 7.150 8.128) 11.232 1.191 ( -4.039 6.989 -4.701) 9.341 1.302 ( -0.704 2.282 -4.508) 5.101 1.390 ( -0.544 4.765 1.011) 4.902 1.403 ( -0.461 3.426 0.484) 3.491 1.558 ( -0.894 1.113 2.444) 2.830 1.595 ( 1.277 2.100 -1.255) 2.759 1.650 ( 1.009 6.258 5.266) 8.241 1.735 ( 0.835 7.380 -0.509) 7.445 1.749 ( 0.366 9.261 0.292) 9.273 1.803 ( 0.192 7.544 -1.755) 7.748 1.846 ( -0.199 4.160 -1.452) 4.411 1.890 ( -0.643 5.259 -2.742) 5.965 1.965 ( -0.854 1.461 3.366) 3.768 2.044 ( -3.619 3.072 2.337) 5.291 2.067 ( -2.839 3.727 3.473) 5.832 2.208 ( 2.966 1.186 -0.723) 3.275 2.229 ( -0.258 2.073 -1.603) 2.633 2.261 ( -0.345 -0.212 -1.151) 1.220 2.334 ( 0.355 4.009 -0.826) 4.109 2.378 ( 1.043 1.698 -4.213) 4.661 2.429 ( -3.183 -0.986 3.850) 5.092 2.516 ( 4.559 1.326 -5.261) 7.087 2.797 ( 1.189 2.566 1.024) 3.008 2.831 ( -1.345 2.955 -0.341) 3.265 2.902 ( 3.197 2.742 -0.157) 4.215 2.954 ( -1.635 6.337 -1.706) 6.763 3.034 ( -0.735 15.783 0.053) 15.800 3.078 ( 1.643 16.045 -0.779) 16.147 3.114 ( 2.873 13.218 -0.590) 13.539 3.182 ( -0.543 14.570 -2.483) 14.790 3.311 ( 0.557 11.404 1.362) 11.499 3.355 ( 0.320 11.210 -1.357) 11.297 3.372 ( 0.881 11.020 -0.358) 11.061 3.384 ( 0.101 10.246 -1.197) 10.317 3.890 ( -0.909 1.467 3.630) 4.019 3.969 ( -0.362 1.815 0.511) 1.920 3.989 ( -0.309 1.420 -0.848) 1.683 4.038 ( -0.563 1.354 -1.593) 2.165 4.335 ( 1.394 -0.048 0.405) 1.452 4.358 ( -0.803 0.489 -0.027) 0.940 4.392 ( 1.395 0.295 -0.197) 1.439 4.396 ( -2.213 -0.968 1.293) 2.740 4.595 ( -1.607 0.908 3.070) 3.582 4.638 ( 0.128 0.817 -0.656) 1.056 4.656 ( -2.318 1.437 3.438) 4.388 4.722 ( -0.683 -0.117 1.850) 1.976 4.748 ( 1.755 -0.397 -2.279) 2.903 4.781 ( -1.589 -1.966 1.865) 3.142 4.848 ( -0.077 -1.042 -0.051) 1.046 4.935 ( 3.880 -2.616 -6.148) 7.726 5.437 ( 0.135 -11.077 0.271) 11.081 5.444 ( 0.279 -10.712 -0.348) 10.722 5.475 ( -0.311 -11.944 0.791) 11.974 5.490 ( 0.062 -11.654 -0.435) 11.663 5.623 ( 0.532 -8.389 0.223) 8.408 5.625 ( 0.005 -8.695 0.281) 8.699 5.662 ( 0.150 -4.585 0.368) 4.602 5.684 ( -0.566 -4.917 -0.562) 4.982 5.980 ( -0.452 15.645 1.932) 15.770 6.019 ( 0.062 15.738 -1.025) 15.772 6.113 ( -1.316 9.701 1.978) 9.988 6.138 ( 1.437 11.475 -1.028) 11.610 6.320 ( -1.699 3.595 2.255) 4.571 6.355 ( 3.222 2.227 -2.955) 4.907 6.472 ( -7.437 0.811 6.248) 9.747 6.611 ( 4.196 1.235 -8.314) 9.394 6.751 ( 1.654 2.989 3.810) 5.117 6.874 ( -2.038 0.870 -3.455) 4.104 6.978 ( 1.466 -0.166 2.800) 3.165 7.057 ( -0.204 -0.381 -1.747) 1.800 ======================= Grid point 183 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 6.673 10.025 9.829) 15.545 1.001 ( -4.844 7.739 -7.090) 11.560 1.025 ( -2.920 6.783 10.771) 13.059 1.205 ( 0.022 6.013 -6.379) 8.766 1.251 ( -2.891 10.786 3.531) 11.712 1.321 ( 1.004 6.352 -2.834) 7.027 1.467 ( 0.290 11.369 2.690) 11.686 1.474 ( -1.367 13.569 2.594) 13.882 1.500 ( -2.758 8.018 0.519) 8.495 1.554 ( -1.567 7.444 5.120) 9.169 1.579 ( 2.700 3.339 -3.017) 5.248 1.624 ( 1.663 11.003 -1.435) 11.220 1.719 ( -0.065 9.474 1.726) 9.630 1.792 ( 1.607 3.234 -4.888) 6.077 1.935 ( -2.816 1.472 3.925) 5.050 1.994 ( -2.876 2.356 2.448) 4.451 2.021 ( -2.347 1.855 2.893) 4.162 2.092 ( -4.879 9.281 2.162) 10.706 2.148 ( 3.359 9.949 -2.390) 10.769 2.172 ( 3.037 6.619 -4.086) 8.350 2.301 ( 1.080 1.160 -0.680) 1.725 2.307 ( 0.386 10.159 -1.271) 10.245 2.382 ( -1.410 7.865 0.812) 8.031 2.425 ( 2.915 1.501 -3.604) 4.872 2.658 ( -0.859 10.579 0.633) 10.633 2.675 ( 1.370 11.116 -0.671) 11.221 2.746 ( -1.231 7.930 1.065) 8.095 2.773 ( 0.345 11.578 0.669) 11.602 2.820 ( 1.644 5.624 -2.085) 6.219 2.860 ( 1.384 8.050 -3.009) 8.705 2.956 ( 0.614 7.242 0.238) 7.272 2.983 ( 0.713 3.958 -1.881) 4.440 3.157 ( -0.259 3.723 1.339) 3.965 3.178 ( 0.743 5.625 -0.510) 5.696 3.224 ( 0.860 3.673 -0.739) 3.844 3.271 ( 2.763 0.896 -4.475) 5.335 3.879 ( -0.137 0.659 3.367) 3.434 3.934 ( -0.537 1.212 -2.245) 2.607 3.970 ( -0.413 0.459 2.604) 2.676 4.014 ( -0.484 0.352 -1.583) 1.692 4.334 ( 0.355 0.524 0.332) 0.715 4.345 ( -0.613 0.308 -0.657) 0.950 4.410 ( -3.093 -1.334 1.268) 3.599 4.418 ( 3.252 -1.376 0.427) 3.557 4.586 ( -1.573 0.541 3.931) 4.268 4.606 ( -3.177 2.018 3.557) 5.179 4.643 ( 1.089 -0.003 -1.648) 1.975 4.706 ( 2.663 1.416 -4.167) 5.144 4.787 ( -0.976 -2.875 2.183) 3.739 4.820 ( -0.461 -2.743 0.536) 2.832 4.877 ( -2.496 -1.893 2.798) 4.200 4.980 ( 4.131 -1.794 -5.864) 7.394 5.572 ( -1.311 18.173 1.457) 18.279 5.588 ( 0.671 16.766 -0.284) 16.782 5.603 ( 0.115 7.273 1.202) 7.372 5.630 ( -0.318 1.212 -1.005) 1.606 5.668 ( -0.253 -6.303 0.315) 6.316 5.677 ( 0.459 -3.125 -0.565) 3.209 5.722 ( 0.007 -6.319 0.116) 6.320 5.723 ( -0.071 -9.576 0.096) 9.577 5.819 ( 0.872 -5.887 0.967) 6.029 5.837 ( -0.475 -7.357 -0.742) 7.409 5.960 ( -0.717 2.841 0.399) 2.957 5.974 ( 0.645 2.588 -0.786) 2.781 6.259 ( -3.524 2.473 3.241) 5.388 6.337 ( 3.729 0.969 -4.100) 5.627 6.424 ( -7.722 2.079 6.938) 10.587 6.572 ( 5.046 2.640 -7.725) 9.597 6.759 ( 3.762 -0.661 4.657) 6.023 6.845 ( -2.334 -0.443 -4.034) 4.681 6.995 ( 2.770 0.365 2.466) 3.727 7.037 ( -2.264 1.006 -1.563) 2.929 ======================= Grid point 186 (88/115) ======================= q-point: ( 0.22 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 0.143 0.000 -12.349) 12.349 0.605 ( 3.708 0.000 -7.600) 8.457 0.702 ( 4.960 0.000 9.609) 10.814 0.858 ( 1.290 0.000 10.103) 10.185 0.997 ( -9.049 -0.000 -0.336) 9.055 1.145 ( -8.766 -0.000 7.332) 11.428 1.216 ( 4.066 0.000 -8.825) 9.716 1.224 ( -2.402 -0.000 -0.547) 2.463 1.254 ( 2.784 0.000 10.511) 10.873 1.401 ( 0.742 0.000 0.042) 0.743 1.431 ( 0.390 0.000 1.634) 1.680 1.481 ( -4.317 -0.000 -0.474) 4.343 1.524 ( -1.804 -0.000 -0.344) 1.836 1.579 ( 3.566 0.000 -1.569) 3.896 1.736 ( -1.306 -0.000 1.280) 1.828 1.763 ( 1.887 0.000 -6.618) 6.881 1.802 ( -8.360 -0.000 10.986) 13.805 1.862 ( 1.432 0.000 -6.875) 7.023 1.958 ( 1.311 0.000 3.675) 3.901 2.119 ( -3.165 -0.000 11.097) 11.540 2.133 ( 4.630 0.000 -3.473) 5.788 2.178 ( 1.193 0.000 -4.106) 4.276 2.227 ( -2.942 -0.000 0.556) 2.994 2.352 ( 3.761 0.000 -4.402) 5.790 2.420 ( -0.424 -0.000 3.517) 3.542 2.540 ( 5.389 0.000 -2.460) 5.924 2.613 ( -2.032 -0.000 1.795) 2.711 2.679 ( 2.982 0.000 -3.018) 4.243 2.683 ( 0.922 0.000 1.960) 2.166 2.744 ( 5.574 0.000 -8.000) 9.750 2.752 ( -4.484 -0.000 3.189) 5.502 2.931 ( 1.859 0.000 -6.601) 6.858 3.123 ( -3.563 -0.000 2.014) 4.093 3.161 ( -4.125 -0.000 4.368) 6.008 3.192 ( 3.682 0.000 -6.954) 7.869 3.311 ( 1.994 0.000 -6.487) 6.787 3.920 ( 1.008 0.000 2.501) 2.696 3.928 ( 2.969 0.000 -3.960) 4.950 3.989 ( -1.529 -0.000 2.057) 2.563 3.995 ( 0.267 0.000 -2.725) 2.738 4.334 ( 0.990 0.000 0.744) 1.239 4.342 ( 0.969 0.000 0.001) 0.969 4.368 ( -3.583 -0.000 0.297) 3.595 4.501 ( -4.159 -0.000 5.573) 6.954 4.529 ( 2.764 0.000 -0.904) 2.908 4.563 ( -2.751 -0.000 5.059) 5.758 4.624 ( 0.907 0.000 -4.085) 4.185 4.675 ( 4.810 0.000 -5.353) 7.196 4.863 ( -5.737 -0.000 4.658) 7.390 4.893 ( -2.734 -0.000 -2.717) 3.854 4.894 ( -3.294 -0.000 3.147) 4.556 4.998 ( 1.626 0.000 -2.212) 2.745 5.059 ( 0.485 0.000 -0.094) 0.494 5.135 ( 2.476 0.000 -0.045) 2.477 5.184 ( -2.267 -0.000 -1.106) 2.522 5.235 ( -3.236 -0.000 -0.005) 3.236 5.837 ( -0.579 -0.000 0.881) 1.054 5.867 ( 0.910 0.000 -1.236) 1.535 5.939 ( -0.025 -0.000 0.005) 0.026 5.949 ( 0.474 0.000 0.026) 0.475 5.964 ( -0.319 -0.000 -0.511) 0.602 5.971 ( -0.303 -0.000 0.526) 0.607 6.010 ( -1.053 -0.000 1.290) 1.665 6.040 ( 0.668 0.000 -0.820) 1.058 6.192 ( -4.124 -0.000 6.828) 7.977 6.331 ( 5.308 0.000 -6.124) 8.104 6.370 ( -0.320 -0.000 8.233) 8.239 6.591 ( 8.339 0.000 -0.491) 8.353 6.786 ( -0.422 -0.000 -4.608) 4.627 6.902 ( -4.411 -0.000 -0.986) 4.520 6.946 ( 4.077 0.000 -1.695) 4.415 7.048 ( 1.645 0.000 -0.220) 1.660 ======================= Grid point 187 (89/115) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 4.718 -7.019 -8.391) 11.914 0.868 ( 2.847 -17.971 -1.463) 18.254 0.933 ( 1.161 -9.253 3.959) 10.131 0.963 ( 3.343 -16.459 6.470) 17.998 1.102 ( -6.230 -9.979 2.814) 12.096 1.146 ( -8.714 -4.152 4.015) 10.455 1.206 ( -0.358 -3.713 -4.199) 5.617 1.307 ( 1.583 -1.860 7.550) 7.935 1.362 ( -0.989 -12.131 -3.024) 12.541 1.415 ( 1.275 -2.444 0.566) 2.814 1.428 ( -4.626 -1.927 0.813) 5.077 1.504 ( 0.241 -2.624 -3.712) 4.552 1.599 ( 0.617 -5.801 1.090) 5.935 1.730 ( 1.286 -8.833 1.455) 9.044 1.805 ( 0.265 -7.341 -4.538) 8.634 1.824 ( -4.085 -7.756 4.050) 9.657 1.891 ( -2.260 -13.441 2.079) 13.787 1.935 ( -1.442 -6.788 -1.958) 7.210 1.972 ( 1.822 -0.483 3.403) 3.890 2.135 ( -2.822 -0.590 9.960) 10.369 2.169 ( 2.785 -3.019 -1.325) 4.316 2.208 ( 0.835 -3.718 -2.929) 4.806 2.278 ( -0.251 -5.018 -1.709) 5.307 2.398 ( 3.856 -3.483 -4.987) 7.202 2.483 ( 0.595 -5.622 3.600) 6.702 2.604 ( 3.174 -4.068 -0.877) 5.234 2.639 ( -0.367 -3.415 1.670) 3.819 2.686 ( 1.649 -1.006 -0.381) 1.969 2.720 ( 1.809 -3.226 -2.645) 4.547 2.773 ( -0.706 -3.356 -1.269) 3.657 2.798 ( 1.402 -5.061 -1.858) 5.571 2.922 ( 0.209 -0.751 -5.820) 5.872 3.105 ( -3.463 0.367 2.333) 4.192 3.146 ( -1.301 0.225 1.356) 1.893 3.190 ( 2.447 -0.212 -4.727) 5.327 3.273 ( 1.651 2.259 -6.603) 7.171 3.906 ( 1.414 1.028 -1.205) 2.123 3.936 ( 0.499 0.200 0.360) 0.647 3.977 ( -0.709 0.349 -1.056) 1.319 3.992 ( -1.151 -0.257 0.926) 1.500 4.337 ( 0.971 0.274 1.246) 1.603 4.349 ( -1.999 0.032 -0.192) 2.009 4.350 ( 0.160 0.154 0.505) 0.552 4.508 ( -0.161 0.700 0.233) 0.755 4.540 ( -1.690 -1.675 3.425) 4.170 4.592 ( -1.785 -1.854 4.722) 5.378 4.629 ( 0.850 -0.745 -3.106) 3.305 4.701 ( 4.246 -1.368 -5.003) 6.703 4.804 ( -4.932 3.329 1.148) 6.060 4.860 ( -1.853 1.288 -2.475) 3.349 4.864 ( -3.014 1.758 6.594) 7.460 5.016 ( 3.110 0.351 -4.951) 5.857 5.191 ( -0.839 -14.561 1.037) 14.622 5.298 ( 1.615 -14.610 0.790) 14.720 5.330 ( -0.951 -14.934 0.234) 14.966 5.346 ( -2.263 -13.057 -0.921) 13.284 5.789 ( -1.074 5.361 0.490) 5.489 5.819 ( 0.066 5.509 -0.777) 5.564 5.878 ( -0.206 6.736 0.396) 6.751 5.888 ( 0.113 6.094 -0.348) 6.105 5.913 ( -0.632 4.584 -0.596) 4.666 5.929 ( -1.389 3.256 0.005) 3.540 5.962 ( 0.019 4.186 1.575) 4.473 6.002 ( 0.179 3.645 -0.163) 3.653 6.213 ( -3.143 -1.397 5.768) 6.715 6.352 ( 4.586 -1.146 -5.132) 6.977 6.413 ( -0.547 -1.526 7.786) 7.953 6.648 ( 7.944 -1.489 0.225) 8.085 6.752 ( 0.835 1.785 -5.529) 5.869 6.896 ( -3.467 -1.641 -0.448) 3.862 6.937 ( 2.773 1.709 -1.046) 3.422 7.057 ( 0.292 -0.320 -0.926) 1.022 ======================= Grid point 188 (90/115) ======================= q-point: ( 0.44 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 6.504 -10.428 -4.383) 13.049 1.082 ( -0.160 -9.448 4.372) 10.412 1.140 ( -7.675 -5.153 3.461) 9.871 1.180 ( 3.061 -5.269 -4.710) 7.702 1.276 ( 2.355 -6.307 4.749) 8.239 1.325 ( -6.835 -7.721 3.905) 11.026 1.347 ( 2.371 -11.782 -0.102) 12.019 1.429 ( -1.300 -10.891 1.559) 11.079 1.509 ( -1.127 -8.756 1.339) 8.929 1.528 ( -0.595 -6.134 -2.523) 6.659 1.576 ( -1.056 -11.574 0.295) 11.626 1.619 ( 0.043 -11.425 -0.785) 11.452 1.727 ( 0.481 -5.615 1.200) 5.762 1.791 ( 1.446 -3.688 -2.716) 4.803 1.907 ( -4.688 -3.280 2.941) 6.433 1.999 ( -1.874 -2.528 -2.090) 3.777 2.027 ( -2.156 -4.824 5.562) 7.672 2.086 ( 0.865 -4.749 6.515) 8.108 2.150 ( 2.949 -9.366 -1.711) 9.968 2.250 ( -1.251 -5.386 1.659) 5.773 2.280 ( 0.081 -11.183 0.220) 11.185 2.309 ( 1.027 -8.200 -1.855) 8.470 2.375 ( 1.387 -6.254 -1.368) 6.551 2.472 ( 4.926 -2.745 -5.170) 7.650 2.658 ( -0.642 -10.098 2.400) 10.399 2.705 ( 1.013 -6.089 0.658) 6.208 2.744 ( 0.501 -7.448 -0.559) 7.485 2.761 ( -0.654 -6.257 -0.199) 6.294 2.850 ( 1.936 -6.640 -5.469) 8.817 2.859 ( 0.302 -10.592 -2.438) 10.874 2.932 ( 0.419 -8.886 0.091) 8.896 2.955 ( -0.085 -4.391 -0.347) 4.406 3.129 ( -1.503 -5.563 0.639) 5.798 3.180 ( 0.902 -4.573 -1.077) 4.784 3.224 ( 0.906 -4.620 -2.779) 5.467 3.236 ( 0.572 -1.221 -4.034) 4.254 3.911 ( 1.655 -1.137 -0.840) 2.177 3.938 ( -0.794 -0.453 1.023) 1.372 3.972 ( -0.761 -0.582 -0.532) 1.096 4.000 ( -1.388 -0.926 1.475) 2.227 4.332 ( -0.124 0.415 0.656) 0.786 4.348 ( 0.276 0.439 0.830) 0.979 4.353 ( -0.273 -0.801 0.657) 1.071 4.480 ( 0.557 1.707 -1.449) 2.308 4.581 ( -1.934 -2.179 2.833) 4.064 4.627 ( 0.133 -0.863 0.536) 1.025 4.635 ( -0.509 -0.484 1.858) 1.987 4.713 ( -1.886 0.779 1.219) 2.377 4.753 ( 1.511 -0.192 -3.046) 3.405 4.811 ( -0.048 1.908 -2.137) 2.866 4.841 ( -3.318 1.262 5.770) 6.775 4.990 ( 3.140 1.955 -5.604) 6.715 5.535 ( -0.860 -14.647 1.243) 14.725 5.607 ( 0.354 -8.226 -1.784) 8.424 5.633 ( 0.043 -5.832 1.484) 6.018 5.641 ( -0.261 -0.279 0.203) 0.433 5.650 ( 0.182 -6.817 0.415) 6.832 5.685 ( 0.725 -0.556 -0.610) 1.099 5.716 ( -0.619 7.624 0.339) 7.657 5.728 ( 0.196 7.253 -0.319) 7.262 5.792 ( -0.493 5.546 -0.579) 5.598 5.842 ( -0.622 2.691 -0.471) 2.801 5.898 ( -1.748 0.156 0.865) 1.956 5.926 ( -1.883 1.723 0.486) 2.598 6.234 ( -2.618 -0.637 4.861) 5.558 6.378 ( 3.053 -0.896 -4.969) 5.900 6.458 ( -2.015 -1.121 8.356) 8.668 6.703 ( 2.716 2.159 -6.297) 7.189 6.732 ( 7.102 -3.096 -0.365) 7.756 6.916 ( -0.704 -0.762 -0.321) 1.086 6.923 ( 0.164 -0.634 0.286) 0.715 7.048 ( -1.773 0.706 -1.087) 2.196 ======================= Grid point 189 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 6.509 -9.061 -2.203) 11.372 1.198 ( -7.058 -4.193 1.543) 8.353 1.252 ( -1.396 -6.455 2.696) 7.133 1.277 ( 2.306 -4.647 -2.387) 5.710 1.368 ( 2.549 -1.547 2.579) 3.942 1.418 ( -6.683 -5.397 5.594) 10.251 1.474 ( 1.377 -3.346 -0.123) 3.620 1.552 ( -0.450 -3.499 -0.902) 3.641 1.696 ( -1.300 -7.923 1.104) 8.105 1.720 ( 0.057 -9.628 -0.752) 9.658 1.747 ( 2.236 -3.715 -1.598) 4.621 1.779 ( -1.422 -4.508 -0.300) 4.736 1.818 ( 0.399 -6.632 1.696) 6.857 1.885 ( -0.850 -3.567 0.474) 3.698 1.962 ( 1.247 -4.121 -0.433) 4.327 2.046 ( -4.519 -5.174 -0.697) 6.905 2.090 ( -5.279 -1.069 10.099) 11.445 2.173 ( 0.811 -3.461 3.800) 5.204 2.253 ( 0.162 1.589 -0.183) 1.607 2.259 ( 6.250 -2.438 -7.083) 9.756 2.361 ( -2.448 -2.174 1.933) 3.802 2.419 ( 2.754 0.653 -0.089) 2.831 2.494 ( 4.248 0.434 -6.191) 7.521 2.539 ( 0.473 -2.325 -2.162) 3.209 2.763 ( -0.827 -2.447 1.128) 2.819 2.805 ( -0.630 -3.391 -0.281) 3.460 2.896 ( 2.971 -3.431 -1.793) 4.880 2.959 ( -1.827 -5.761 -2.881) 6.695 2.995 ( -0.985 -16.089 3.105) 16.416 3.092 ( 2.014 -13.607 -4.698) 14.535 3.126 ( 2.679 -15.116 0.238) 15.354 3.185 ( -0.744 -15.002 -0.054) 15.021 3.314 ( 0.660 -12.187 -1.424) 12.288 3.322 ( -1.089 -11.066 0.111) 11.120 3.361 ( -0.104 -10.963 -0.370) 10.970 3.391 ( 0.476 -11.502 -1.670) 11.632 3.946 ( -0.790 -0.830 0.847) 1.425 3.951 ( 0.633 -1.680 -0.242) 1.811 3.996 ( 0.846 -2.173 -0.184) 2.339 4.022 ( -1.653 -1.537 1.690) 2.820 4.330 ( 0.877 0.450 1.023) 1.420 4.345 ( -0.716 -0.233 0.636) 0.986 4.374 ( -0.034 -1.125 0.949) 1.472 4.448 ( 0.215 1.220 -1.629) 2.047 4.613 ( -0.871 -1.108 1.087) 1.780 4.635 ( 0.281 -0.767 -1.007) 1.297 4.656 ( -1.266 -0.653 4.214) 4.448 4.701 ( -3.807 -0.540 4.486) 5.908 4.764 ( 2.213 -0.040 -4.088) 4.649 4.778 ( -0.663 1.341 1.577) 2.174 4.823 ( -0.160 0.250 0.485) 0.569 4.943 ( 3.357 2.835 -5.788) 7.267 5.415 ( -0.238 10.633 0.557) 10.650 5.438 ( -0.280 10.946 -0.360) 10.956 5.483 ( -0.280 11.466 0.551) 11.483 5.492 ( 0.331 11.368 -0.505) 11.384 5.598 ( -0.372 8.382 -0.244) 8.393 5.612 ( -0.657 7.548 -0.421) 7.588 5.670 ( 0.243 6.038 0.938) 6.116 5.692 ( 0.016 6.523 -0.046) 6.524 6.001 ( -0.403 -14.279 1.287) 14.342 6.024 ( 1.322 -14.774 -0.807) 14.855 6.063 ( -2.042 -13.661 1.468) 13.890 6.106 ( -1.307 -13.098 -0.573) 13.176 6.261 ( -1.773 -3.670 3.365) 5.285 6.392 ( 1.400 -1.417 -4.872) 5.263 6.487 ( -3.042 -0.692 8.188) 8.762 6.660 ( 3.339 1.814 -6.527) 7.553 6.831 ( 6.496 -3.248 -0.535) 7.283 6.925 ( -0.508 -0.950 0.944) 1.432 6.952 ( -0.167 -1.519 -0.664) 1.666 7.003 ( -2.855 2.318 -0.544) 3.718 ======================= Grid point 190 (92/115) ======================= q-point: (-0.33 -0.78 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 2.866 -1.822 1.041) 3.552 1.234 ( -1.161 -3.038 -1.006) 3.404 1.317 ( -1.656 -0.311 2.854) 3.314 1.348 ( 0.748 -1.617 -0.061) 1.783 1.400 ( -0.594 -1.377 1.958) 2.466 1.490 ( -2.381 -0.952 -0.023) 2.564 1.512 ( -2.513 -2.229 3.522) 4.866 1.596 ( 0.967 -1.779 -2.761) 3.424 1.769 ( -5.166 -1.630 2.139) 5.824 1.781 ( 4.779 0.418 -1.869) 5.148 1.812 ( -1.894 -2.394 2.629) 4.029 1.852 ( 1.310 -2.898 -1.356) 3.457 1.924 ( 1.111 -1.527 1.912) 2.687 1.969 ( -0.565 -5.970 0.684) 6.035 2.026 ( 2.490 -1.146 -0.703) 2.830 2.072 ( -3.058 2.064 2.927) 4.710 2.123 ( -3.474 -4.207 0.151) 5.458 2.194 ( 0.052 2.574 -0.080) 2.575 2.266 ( 0.517 -1.711 0.731) 1.931 2.294 ( 0.136 -0.945 2.324) 2.513 2.373 ( 1.958 0.615 -2.908) 3.559 2.404 ( -0.514 0.789 1.214) 1.536 2.471 ( 2.267 0.872 -5.047) 5.601 2.500 ( 1.063 3.396 -3.300) 4.853 2.801 ( -0.493 -1.301 1.408) 1.980 2.839 ( 0.265 -1.056 -1.069) 1.526 2.922 ( 4.010 0.230 -1.162) 4.182 2.984 ( -0.929 -0.492 -3.139) 3.310 3.289 ( -0.006 -9.830 2.068) 10.045 3.339 ( 1.060 -8.206 -2.111) 8.539 3.382 ( 1.085 -8.214 -0.407) 8.296 3.397 ( -0.690 -5.847 -0.454) 5.905 3.507 ( -1.005 -6.131 0.770) 6.260 3.517 ( 0.773 -6.865 -1.025) 6.984 3.545 ( 0.263 -6.234 0.033) 6.239 3.575 ( 0.166 -5.921 -1.801) 6.191 3.947 ( -2.411 0.202 2.711) 3.634 3.991 ( 2.253 -1.667 -2.219) 3.575 4.034 ( -1.473 -0.312 1.696) 2.268 4.052 ( 0.580 -1.757 -0.245) 1.866 4.334 ( 1.674 -0.042 0.901) 1.902 4.352 ( -1.655 -0.718 0.923) 2.027 4.395 ( -0.192 -0.497 0.829) 0.985 4.426 ( 0.002 0.702 -1.402) 1.568 4.625 ( -1.127 -0.276 2.037) 2.345 4.652 ( -0.035 -0.832 -0.591) 1.022 4.672 ( -1.879 -0.591 3.836) 4.312 4.711 ( -3.861 -0.722 5.104) 6.440 4.738 ( -1.796 2.090 4.007) 4.864 4.767 ( 1.473 -0.056 -2.899) 3.252 4.839 ( 3.179 -1.461 -4.892) 6.014 4.886 ( 3.421 2.810 -5.721) 7.233 5.252 ( 0.005 5.104 0.695) 5.151 5.269 ( -0.059 5.059 -0.392) 5.074 5.302 ( -0.195 5.973 0.467) 5.994 5.310 ( 0.316 6.323 -0.444) 6.346 5.472 ( -0.215 3.625 0.400) 3.654 5.491 ( -0.061 3.484 -0.861) 3.590 5.561 ( 0.638 3.777 0.412) 3.853 5.573 ( -0.917 3.796 0.211) 3.911 6.172 ( -0.693 -1.560 2.141) 2.738 6.184 ( -0.839 -4.042 1.183) 4.295 6.263 ( -1.160 -6.153 1.038) 6.347 6.266 ( 0.306 -5.447 -0.321) 5.465 6.388 ( 0.845 -4.800 0.355) 4.887 6.431 ( -1.274 -3.313 -2.659) 4.434 6.502 ( -2.475 0.083 5.542) 6.070 6.628 ( 3.905 1.334 -6.495) 7.695 6.897 ( 3.498 -0.183 -0.391) 3.524 6.921 ( -3.406 3.016 0.614) 4.591 6.948 ( -0.551 -1.000 1.796) 2.128 6.992 ( 1.428 -2.229 -2.184) 3.432 ======================= Grid point 191 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 2.282 5.042 5.202) 7.595 1.248 ( -1.015 2.824 -4.402) 5.328 1.283 ( -1.644 4.213 4.099) 6.103 1.334 ( 0.162 2.074 -0.415) 2.121 1.423 ( -2.392 -0.073 1.875) 3.040 1.458 ( 0.778 1.615 -1.552) 2.371 1.549 ( -3.621 -1.354 3.746) 5.383 1.618 ( 2.778 -0.233 -2.776) 3.934 1.754 ( -2.218 2.023 3.339) 4.490 1.779 ( 1.239 1.102 -0.734) 1.813 1.826 ( -2.657 0.509 2.234) 3.509 1.870 ( 1.471 1.088 -0.443) 1.882 1.942 ( -1.343 2.109 2.168) 3.309 1.981 ( 2.563 4.495 -1.423) 5.366 2.022 ( -2.495 0.819 -0.370) 2.653 2.042 ( 0.936 2.441 -1.734) 3.138 2.153 ( -1.686 0.535 1.832) 2.547 2.181 ( 1.822 -3.019 -0.826) 3.621 2.235 ( -3.823 2.904 4.837) 6.815 2.311 ( -0.029 2.744 1.583) 3.169 2.363 ( 2.057 -0.790 -2.786) 3.552 2.389 ( -0.199 0.609 -3.255) 3.317 2.435 ( 0.751 2.393 -0.260) 2.521 2.493 ( 3.384 -2.718 -4.782) 6.458 2.813 ( -1.694 -0.030 1.515) 2.273 2.850 ( 1.170 -0.070 -0.855) 1.451 2.932 ( 2.386 0.415 -0.683) 2.516 2.978 ( 0.617 -0.239 -3.743) 3.801 3.302 ( -0.599 9.018 0.902) 9.083 3.333 ( 1.091 8.557 -2.135) 8.886 3.379 ( 1.154 7.728 1.178) 7.902 3.401 ( -0.346 6.653 -1.134) 6.757 3.503 ( -0.487 6.213 1.101) 6.329 3.530 ( 0.739 5.553 -1.470) 5.792 3.553 ( 0.217 5.719 0.066) 5.724 3.566 ( 0.207 6.263 -1.237) 6.388 3.930 ( -1.034 1.549 3.587) 4.042 4.000 ( -0.075 1.141 -3.110) 3.313 4.017 ( -0.005 1.446 2.527) 2.912 4.058 ( -0.183 1.084 -1.412) 1.789 4.348 ( 2.089 0.121 0.782) 2.234 4.353 ( -2.197 -0.133 0.488) 2.254 4.392 ( -0.806 0.612 0.837) 1.313 4.408 ( 0.575 0.842 -0.805) 1.299 4.617 ( -1.504 1.065 2.876) 3.415 4.652 ( 0.125 0.641 -0.925) 1.132 4.678 ( -2.034 0.601 3.526) 4.115 4.719 ( -2.036 0.145 4.516) 4.956 4.729 ( -4.088 -2.160 5.451) 7.148 4.763 ( 2.660 0.568 -3.888) 4.745 4.847 ( 2.533 1.022 -4.484) 5.251 4.881 ( 3.674 -2.832 -6.019) 7.599 5.265 ( 0.520 -5.940 0.617) 5.994 5.273 ( -0.882 -5.599 -0.134) 5.670 5.297 ( 0.337 -5.180 0.074) 5.191 5.302 ( -0.035 -6.155 -0.359) 6.165 5.482 ( 0.019 -4.663 0.593) 4.700 5.494 ( 0.206 -4.088 -0.480) 4.121 5.569 ( -0.034 -3.829 0.422) 3.852 5.577 ( -0.318 -4.151 -0.313) 4.175 6.167 ( -0.903 2.828 2.393) 3.813 6.187 ( -0.742 3.429 0.527) 3.548 6.265 ( -1.663 5.294 0.849) 5.614 6.291 ( 1.912 3.523 -1.505) 4.282 6.401 ( -1.920 3.411 2.506) 4.648 6.427 ( 1.238 2.664 -1.111) 3.141 6.484 ( -3.120 1.977 4.299) 5.668 6.617 ( 4.156 -0.124 -7.509) 8.584 6.837 ( -0.275 3.963 2.505) 4.696 6.888 ( 0.159 2.038 -2.492) 3.223 6.976 ( -0.133 -1.359 2.873) 3.180 7.032 ( 0.696 -1.537 -2.632) 3.126 ======================= Grid point 192 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 4.962 8.070 6.907) 11.724 1.107 ( -3.031 7.834 -7.066) 10.977 1.180 ( -1.208 6.548 8.656) 10.920 1.274 ( 0.614 3.870 -4.168) 5.721 1.363 ( -4.684 4.406 2.765) 7.000 1.424 ( 2.767 3.703 -0.868) 4.703 1.553 ( -2.989 0.284 2.033) 3.626 1.596 ( -0.385 3.152 -0.464) 3.210 1.687 ( 0.067 5.854 4.168) 7.186 1.730 ( -0.218 5.343 -1.124) 5.464 1.758 ( 0.118 9.551 0.614) 9.571 1.788 ( 0.024 8.161 -2.863) 8.649 1.844 ( 0.026 3.765 0.878) 3.866 1.864 ( -0.853 6.180 -2.291) 6.646 1.980 ( -0.870 2.230 4.322) 4.940 2.020 ( -0.817 0.651 -1.035) 1.471 2.073 ( -3.246 5.890 7.059) 9.750 2.214 ( -2.014 4.692 0.009) 5.106 2.228 ( 2.059 -0.525 -1.268) 2.475 2.245 ( 0.839 0.210 -3.825) 3.921 2.339 ( 1.510 3.330 0.126) 3.658 2.372 ( 2.052 0.365 -3.147) 3.774 2.431 ( -0.578 -0.526 2.376) 2.501 2.528 ( 4.336 1.836 -5.511) 7.249 2.792 ( -2.636 1.763 1.001) 3.326 2.836 ( 1.654 3.613 0.089) 3.975 2.915 ( -1.489 2.573 -1.611) 3.381 2.941 ( 2.679 7.175 -0.758) 7.697 3.029 ( -1.382 14.160 1.468) 14.303 3.080 ( 1.582 14.935 -3.149) 15.345 3.144 ( 2.292 15.100 0.945) 15.302 3.158 ( -0.621 14.861 -3.218) 15.218 3.323 ( -0.163 11.125 1.312) 11.203 3.350 ( 0.695 11.038 -1.940) 11.229 3.376 ( -0.219 10.047 -0.977) 10.097 3.380 ( 1.089 11.101 -0.471) 11.164 3.909 ( -0.077 1.351 4.011) 4.233 3.956 ( -0.118 1.919 -2.773) 3.374 3.995 ( -0.151 1.421 2.604) 2.970 4.021 ( -0.619 1.336 -1.712) 2.258 4.342 ( -1.894 0.028 -0.211) 1.906 4.352 ( 1.096 0.754 0.477) 1.413 4.382 ( -1.665 -0.292 0.863) 1.898 4.411 ( 2.207 -0.776 -0.169) 2.345 4.600 ( -1.070 0.737 2.965) 3.237 4.634 ( -0.251 0.936 -0.112) 0.975 4.654 ( -1.822 1.420 2.550) 3.441 4.725 ( -1.206 0.030 2.119) 2.439 4.752 ( 1.861 -0.439 -2.409) 3.076 4.776 ( -2.044 -1.988 2.614) 3.868 4.844 ( -0.178 -0.859 -0.706) 1.126 4.938 ( 3.874 -2.790 -5.911) 7.598 5.435 ( -0.791 -10.767 0.330) 10.801 5.445 ( 0.265 -11.047 -0.319) 11.055 5.477 ( -0.260 -11.794 0.745) 11.820 5.489 ( 0.280 -11.830 -0.472) 11.843 5.624 ( -0.271 -8.231 0.047) 8.236 5.629 ( 0.422 -8.818 0.014) 8.828 5.665 ( -0.737 -4.753 0.450) 4.831 5.676 ( 0.326 -4.763 -0.301) 4.783 5.988 ( -0.281 15.207 1.870) 15.324 6.014 ( 0.288 16.257 -1.216) 16.305 6.108 ( -2.024 9.018 1.950) 9.446 6.142 ( 0.386 11.720 -0.862) 11.758 6.305 ( -2.919 4.158 1.382) 5.265 6.375 ( 3.738 2.392 -2.860) 5.279 6.446 ( -5.848 1.449 7.856) 9.900 6.613 ( 5.735 0.937 -7.445) 9.444 6.797 ( 1.754 1.482 3.471) 4.162 6.833 ( -0.571 1.796 -3.616) 4.078 7.010 ( 1.188 -0.898 2.770) 3.146 7.034 ( -1.431 0.278 -2.598) 2.979 ======================= Grid point 196 (95/115) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 11.052 0.000 -5.169) 12.201 0.621 ( 6.803 0.000 -4.935) 8.404 0.809 ( 4.901 0.000 7.366) 8.847 0.893 ( -10.623 -0.000 0.648) 10.643 0.919 ( 0.278 0.000 6.663) 6.669 1.073 ( -12.607 -0.000 6.817) 14.332 1.185 ( -2.275 -0.000 -3.143) 3.879 1.197 ( 2.537 0.000 -8.462) 8.834 1.327 ( -2.558 -0.000 7.993) 8.392 1.395 ( -6.223 -0.000 1.765) 6.469 1.419 ( 2.519 0.000 0.158) 2.524 1.483 ( -2.155 -0.000 -3.022) 3.712 1.489 ( 4.128 0.000 0.727) 4.192 1.607 ( 1.698 0.000 -1.614) 2.342 1.730 ( -1.565 -0.000 1.853) 2.425 1.756 ( 4.788 0.000 -4.876) 6.834 1.776 ( -9.874 -0.000 11.064) 14.830 1.833 ( 1.304 0.000 -6.761) 6.886 1.996 ( 1.899 0.000 2.810) 3.391 2.153 ( 1.486 0.000 -4.074) 4.337 2.161 ( -3.260 -0.000 12.344) 12.767 2.168 ( 3.167 0.000 -2.751) 4.195 2.202 ( -2.173 -0.000 0.136) 2.177 2.363 ( 3.666 0.000 -4.586) 5.871 2.449 ( 0.498 0.000 5.342) 5.365 2.579 ( 4.851 0.000 -2.420) 5.421 2.604 ( -1.826 -0.000 1.565) 2.405 2.692 ( 3.285 0.000 -3.782) 5.009 2.705 ( 0.837 0.000 2.204) 2.358 2.727 ( -3.849 -0.000 2.753) 4.732 2.755 ( 6.458 0.000 -8.443) 10.630 2.895 ( -0.764 -0.000 -6.320) 6.366 3.101 ( -3.763 -0.000 3.702) 5.279 3.146 ( -3.148 -0.000 3.091) 4.412 3.192 ( 4.934 0.000 -7.382) 8.879 3.285 ( 1.089 0.000 -6.719) 6.806 3.933 ( -1.118 -0.000 1.268) 1.691 3.934 ( 2.679 0.000 -3.761) 4.617 3.979 ( 0.376 0.000 -3.127) 3.149 3.979 ( -2.230 -0.000 1.136) 2.503 4.337 ( -1.867 -0.000 0.225) 1.880 4.350 ( 0.744 0.000 -0.483) 0.887 4.363 ( 2.033 0.000 2.633) 3.327 4.497 ( -3.401 -0.000 5.590) 6.544 4.542 ( 1.074 0.000 -1.737) 2.043 4.568 ( -2.825 -0.000 5.701) 6.363 4.610 ( 1.363 0.000 -3.934) 4.163 4.689 ( 4.479 0.000 -5.686) 7.238 4.816 ( -5.948 -0.000 2.015) 6.280 4.848 ( -2.309 -0.000 -2.811) 3.637 4.898 ( -2.430 -0.000 6.108) 6.574 5.004 ( 1.447 0.000 -1.099) 1.817 5.066 ( 1.035 0.000 -0.637) 1.215 5.148 ( -0.686 -0.000 -1.297) 1.467 5.165 ( 1.240 0.000 -0.843) 1.500 5.201 ( -3.512 -0.000 0.686) 3.578 5.838 ( -0.491 -0.000 0.980) 1.096 5.867 ( 0.772 0.000 -1.333) 1.541 5.940 ( 0.041 0.000 0.095) 0.103 5.954 ( 0.592 0.000 0.007) 0.592 5.957 ( -0.326 -0.000 -0.445) 0.552 5.969 ( -0.578 -0.000 0.380) 0.692 6.009 ( -0.729 -0.000 1.516) 1.682 6.041 ( 0.571 0.000 -0.881) 1.050 6.194 ( -3.892 -0.000 7.113) 8.108 6.347 ( 5.098 0.000 -6.649) 8.379 6.422 ( 0.354 0.000 8.287) 8.295 6.672 ( 5.006 0.000 0.946) 5.094 6.769 ( 3.389 0.000 -3.599) 4.943 6.861 ( -2.988 -0.000 0.849) 3.106 6.959 ( 1.364 0.000 -3.021) 3.314 7.051 ( 0.467 0.000 -2.317) 2.363 ======================= Grid point 197 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 11.466 -6.125 -2.668) 13.270 0.894 ( 1.429 -13.845 -0.322) 13.923 0.944 ( -0.725 -13.569 -0.127) 13.589 1.020 ( -2.231 -9.842 5.064) 11.291 1.059 ( -6.442 -11.651 4.328) 14.000 1.086 ( -2.922 -9.335 2.959) 10.220 1.184 ( 0.508 -4.260 -2.608) 5.021 1.316 ( -5.142 -8.594 -0.465) 10.026 1.344 ( -4.255 -6.316 3.846) 8.531 1.390 ( -0.977 -2.377 1.872) 3.180 1.442 ( 2.867 -1.485 -0.353) 3.248 1.479 ( 1.246 -1.572 -5.478) 5.834 1.630 ( 3.261 -7.164 1.535) 8.020 1.720 ( -5.647 -5.992 3.065) 8.786 1.787 ( -0.497 -10.049 -0.752) 10.090 1.833 ( 2.344 -6.681 0.147) 7.082 1.877 ( -2.286 -12.937 1.638) 13.239 1.904 ( -1.020 -6.514 -2.857) 7.185 2.014 ( 1.864 -1.393 3.487) 4.192 2.162 ( -1.814 -3.390 -0.481) 3.875 2.173 ( -0.036 -0.722 5.758) 5.803 2.216 ( 0.435 -2.837 1.789) 3.382 2.265 ( 0.339 -5.578 -2.246) 6.023 2.405 ( 3.391 -3.662 -4.810) 6.932 2.519 ( 1.169 -5.280 4.590) 7.094 2.623 ( 0.529 -3.124 0.517) 3.211 2.648 ( 1.020 -4.655 -0.286) 4.774 2.700 ( 1.981 -0.312 -0.912) 2.203 2.720 ( 1.654 -1.962 -2.794) 3.794 2.752 ( -2.152 -3.651 0.154) 4.241 2.810 ( 3.891 -4.511 -4.168) 7.270 2.883 ( -0.794 -1.728 -5.074) 5.419 3.090 ( -2.755 0.187 3.641) 4.570 3.141 ( -1.611 -0.428 1.750) 2.417 3.189 ( 4.039 0.256 -6.188) 7.394 3.247 ( 1.201 1.963 -6.476) 6.873 3.914 ( 0.968 0.705 -0.601) 1.340 3.932 ( -0.549 0.211 -0.974) 1.137 3.962 ( -1.081 0.249 -0.595) 1.258 3.981 ( -1.284 -0.547 -0.158) 1.405 4.331 ( -1.058 -0.087 0.359) 1.121 4.348 ( 0.177 0.190 -0.196) 0.326 4.375 ( 2.269 0.782 2.787) 3.678 4.501 ( -1.264 0.646 -0.013) 1.419 4.543 ( -1.614 -1.387 2.777) 3.499 4.600 ( -1.988 -2.022 3.989) 4.894 4.622 ( 0.945 -1.087 -1.956) 2.429 4.712 ( 3.745 -1.081 -4.842) 6.215 4.767 ( -3.629 2.162 1.588) 4.512 4.826 ( -1.279 0.709 -2.893) 3.242 4.876 ( -2.741 1.879 6.630) 7.416 5.015 ( 2.948 0.786 -5.241) 6.065 5.196 ( -0.129 -14.607 1.947) 14.737 5.297 ( -1.227 -14.375 -2.024) 14.568 5.324 ( -2.083 -14.311 2.016) 14.602 5.333 ( 1.630 -15.259 -0.602) 15.358 5.784 ( -0.637 5.669 0.780) 5.758 5.813 ( 0.003 5.671 -1.053) 5.768 5.879 ( -0.178 6.858 0.372) 6.871 5.887 ( 0.020 6.378 -0.284) 6.384 5.906 ( -0.109 4.815 -0.233) 4.822 5.916 ( -0.978 4.259 -0.005) 4.370 5.972 ( -0.040 3.728 1.511) 4.022 6.002 ( 0.079 3.831 -0.336) 3.846 6.218 ( -3.108 -1.435 6.142) 7.031 6.362 ( 3.933 -0.870 -6.195) 7.389 6.459 ( -0.350 -0.741 8.341) 8.382 6.694 ( 1.130 -0.705 -4.022) 4.237 6.772 ( 7.746 1.301 0.104) 7.855 6.872 ( -1.541 -1.814 1.646) 2.894 6.943 ( 0.406 1.102 -2.387) 2.660 7.037 ( -1.729 0.238 -2.996) 3.467 ======================= Grid point 198 (97/115) ======================= q-point: (-0.44 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 10.226 -9.195 -0.609) 13.765 1.036 ( -9.945 -7.394 -1.461) 12.478 1.098 ( -5.967 -7.729 5.441) 11.179 1.185 ( 3.531 -5.286 -5.021) 8.101 1.281 ( -3.822 -7.706 7.496) 11.410 1.339 ( 0.574 -7.132 3.545) 7.985 1.376 ( 2.793 -12.465 0.425) 12.781 1.431 ( 0.265 -7.116 0.429) 7.134 1.500 ( -1.729 -9.831 0.716) 10.008 1.510 ( 0.063 -8.305 -1.820) 8.502 1.566 ( -1.023 -12.546 0.347) 12.592 1.615 ( 0.214 -11.603 -1.281) 11.675 1.733 ( -2.591 -4.663 3.567) 6.417 1.800 ( 4.798 -3.552 -4.176) 7.285 1.878 ( -4.015 -3.536 3.163) 6.215 1.962 ( -1.407 -2.446 -3.233) 4.291 2.043 ( -1.860 -3.834 5.759) 7.164 2.117 ( 0.895 -9.295 0.255) 9.341 2.184 ( 2.567 -7.219 3.057) 8.250 2.243 ( -2.271 -3.112 0.237) 3.860 2.276 ( -0.666 -9.007 1.682) 9.187 2.313 ( -0.109 -11.011 0.858) 11.045 2.381 ( 1.624 -7.483 -1.853) 7.879 2.484 ( 4.511 -2.953 -7.024) 8.854 2.664 ( -1.804 -6.238 3.393) 7.327 2.726 ( 1.456 -7.672 1.663) 7.984 2.741 ( 0.401 -3.213 -2.081) 3.849 2.758 ( -0.102 -7.269 0.654) 7.299 2.832 ( 0.822 -9.633 -4.831) 10.808 2.842 ( 0.520 -9.658 -3.586) 10.315 2.936 ( -0.128 -8.394 0.406) 8.404 2.958 ( 1.588 -6.647 -1.177) 6.934 3.124 ( -0.809 -5.315 1.646) 5.622 3.184 ( 0.737 -4.529 -0.916) 4.679 3.212 ( 1.149 -2.386 -4.369) 5.109 3.221 ( 1.031 -3.872 -2.825) 4.902 3.922 ( -1.564 -1.039 1.088) 2.171 3.931 ( 1.280 -0.742 -1.002) 1.787 3.966 ( 0.024 -1.218 0.331) 1.262 3.989 ( -1.581 -1.148 0.353) 1.986 4.331 ( -0.309 -0.177 0.588) 0.688 4.347 ( -0.406 -0.207 -0.260) 0.525 4.379 ( 1.903 0.790 2.867) 3.531 4.467 ( -0.825 1.471 -2.182) 2.758 4.578 ( -1.838 -1.951 2.736) 3.830 4.626 ( 0.861 -0.496 -1.762) 2.023 4.646 ( -2.012 -1.300 4.498) 5.096 4.703 ( -1.932 1.386 2.757) 3.640 4.753 ( 2.316 -0.770 -3.928) 4.625 4.794 ( 0.662 0.919 -3.634) 3.807 4.849 ( -2.918 1.631 6.671) 7.462 4.987 ( 3.101 1.870 -5.873) 6.900 5.539 ( -0.190 -13.644 1.746) 13.757 5.595 ( -0.290 -9.633 -2.237) 9.894 5.635 ( -0.866 -3.450 0.867) 3.661 5.641 ( 0.270 -1.434 0.567) 1.566 5.658 ( 0.060 -3.847 0.919) 3.955 5.689 ( 0.913 -5.464 -1.113) 5.650 5.713 ( -0.620 8.431 0.720) 8.484 5.727 ( 0.064 7.286 -0.495) 7.304 5.793 ( 0.892 3.845 0.147) 3.949 5.825 ( -1.594 0.616 -0.952) 1.957 5.896 ( 0.154 2.778 0.900) 2.924 5.912 ( -1.256 3.306 0.332) 3.552 6.240 ( -2.469 -0.557 5.482) 6.038 6.371 ( 2.259 -0.368 -5.801) 6.236 6.490 ( -1.927 -0.319 8.596) 8.815 6.680 ( 1.795 0.758 -6.958) 7.226 6.821 ( 8.214 -1.556 0.671) 8.387 6.901 ( -2.293 -0.594 -0.222) 2.379 6.927 ( -0.047 -0.973 0.889) 1.318 7.010 ( -2.955 0.474 -2.447) 3.866 ======================= Grid point 199 (98/115) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 7.479 -7.327 0.141) 10.471 1.114 ( -8.282 -6.764 -0.977) 10.738 1.229 ( -5.671 -6.748 3.419) 9.455 1.285 ( 1.624 -4.660 -1.819) 5.260 1.406 ( -3.707 -5.097 6.954) 9.385 1.425 ( 4.248 -0.954 2.795) 5.174 1.481 ( 0.282 -2.165 -0.484) 2.236 1.536 ( 0.204 -3.890 -3.091) 4.973 1.682 ( -3.376 -6.078 2.139) 7.274 1.718 ( 0.387 -8.673 -0.727) 8.712 1.744 ( -1.504 -7.583 0.564) 7.751 1.778 ( 2.941 -3.399 -2.774) 5.282 1.849 ( 2.780 -6.761 1.941) 7.564 1.872 ( -1.145 -4.443 -0.461) 4.612 1.977 ( -1.230 -6.265 0.899) 6.447 2.000 ( 0.278 -3.179 -2.099) 3.819 2.094 ( -5.734 -1.170 9.465) 11.128 2.202 ( 0.052 -0.892 3.011) 3.141 2.249 ( -0.208 -0.586 -0.470) 0.780 2.278 ( 5.025 -2.291 -6.181) 8.289 2.346 ( -3.294 -1.414 2.816) 4.558 2.450 ( 2.630 0.057 0.351) 2.654 2.489 ( 2.517 0.831 -5.600) 6.195 2.523 ( -0.273 -1.338 -3.348) 3.615 2.756 ( -2.295 -3.554 2.207) 4.771 2.809 ( 2.097 -2.638 -1.408) 3.652 2.919 ( -0.739 -7.061 -1.216) 7.202 2.925 ( 2.706 -4.473 -2.896) 5.977 3.006 ( -0.777 -14.733 2.933) 15.042 3.082 ( 1.683 -14.265 -4.550) 15.068 3.156 ( 2.173 -14.473 0.397) 14.641 3.170 ( -1.082 -14.801 -0.776) 14.861 3.309 ( -1.370 -11.844 0.161) 11.924 3.318 ( 1.538 -11.587 -1.174) 11.748 3.361 ( 0.150 -11.221 0.157) 11.223 3.384 ( 0.562 -11.332 -1.990) 11.519 3.929 ( -3.335 -0.927 2.061) 4.028 3.966 ( 2.692 -1.565 -1.617) 3.509 4.004 ( -1.282 -2.044 1.374) 2.777 4.015 ( 0.574 -2.124 0.212) 2.210 4.337 ( -0.424 -0.284 0.901) 1.036 4.347 ( 0.424 0.028 0.005) 0.425 4.387 ( 0.541 -0.172 2.188) 2.260 4.432 ( -0.878 0.838 -2.103) 2.428 4.610 ( -1.174 -1.385 1.291) 2.228 4.633 ( 0.304 -0.587 -0.675) 0.944 4.669 ( -1.123 -0.448 3.798) 3.986 4.690 ( -3.726 -0.469 4.953) 6.216 4.758 ( 1.778 -0.045 -4.222) 4.581 4.781 ( 0.012 0.852 0.407) 0.944 4.829 ( -0.115 0.521 1.439) 1.535 4.941 ( 3.365 2.694 -5.996) 7.385 5.420 ( 0.242 10.644 0.695) 10.670 5.432 ( -0.204 10.766 -0.557) 10.783 5.482 ( -0.636 11.380 0.608) 11.414 5.493 ( 0.386 11.288 -0.495) 11.305 5.598 ( 0.347 8.347 0.020) 8.354 5.603 ( -0.206 7.743 -0.468) 7.760 5.677 ( -0.261 5.931 0.990) 6.019 5.690 ( 0.056 6.883 -0.306) 6.890 6.001 ( -1.685 -14.186 1.633) 14.379 6.034 ( 1.930 -14.543 -1.514) 14.748 6.060 ( -0.699 -14.395 1.996) 14.550 6.092 ( -0.431 -13.354 -0.827) 13.386 6.269 ( -1.479 -3.379 4.454) 5.782 6.372 ( 1.116 -1.126 -5.274) 5.507 6.505 ( -3.114 0.010 7.790) 8.390 6.653 ( 3.476 1.077 -6.866) 7.770 6.890 ( -1.570 -1.263 0.501) 2.076 6.906 ( 2.960 -2.202 -0.869) 3.790 6.955 ( 0.577 -0.692 0.651) 1.112 6.974 ( -1.536 1.114 -0.979) 2.135 ======================= Grid point 200 (99/115) ======================= q-point: (-0.22 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -5.110 -3.187 0.937) 6.094 1.235 ( 3.810 -2.786 -1.364) 4.913 1.308 ( -3.154 -2.461 3.502) 5.317 1.350 ( 0.105 -1.188 -0.577) 1.325 1.439 ( 3.212 1.228 3.091) 4.624 1.461 ( -1.604 -0.308 -1.924) 2.524 1.509 ( -2.485 -1.968 4.765) 5.723 1.596 ( 2.652 -2.558 -2.929) 4.707 1.730 ( -5.271 -1.711 2.572) 6.110 1.809 ( -0.903 -1.240 2.816) 3.206 1.815 ( 3.219 -1.261 -2.156) 4.074 1.857 ( 1.325 -2.836 -1.709) 3.567 1.933 ( -2.236 -2.188 1.242) 3.366 1.973 ( 1.743 -3.587 0.549) 4.026 2.039 ( -3.368 -1.494 -1.845) 4.121 2.058 ( 3.170 -0.937 1.193) 3.515 2.113 ( -2.165 -2.270 5.145) 6.026 2.186 ( -0.694 2.940 -1.417) 3.337 2.273 ( -0.222 -0.599 0.923) 1.122 2.307 ( 0.240 -1.780 1.239) 2.182 2.364 ( -0.309 -1.224 -1.436) 1.912 2.423 ( 1.254 3.682 1.197) 4.069 2.464 ( 2.356 0.364 -4.578) 5.162 2.482 ( 0.428 2.371 -3.993) 4.663 2.795 ( -1.797 -1.345 1.295) 2.591 2.846 ( 1.891 -0.845 -1.040) 2.317 2.940 ( -0.899 -0.009 -2.420) 2.581 2.969 ( 3.512 -0.421 -2.129) 4.129 3.301 ( -0.099 -9.823 1.791) 9.985 3.335 ( 0.862 -8.624 -2.532) 9.029 3.384 ( -1.099 -6.828 -0.428) 6.929 3.394 ( 1.135 -6.761 -0.186) 6.858 3.502 ( -0.856 -6.573 0.693) 6.665 3.522 ( 1.104 -6.618 -0.684) 6.745 3.552 ( 0.822 -6.269 0.256) 6.328 3.563 ( -0.066 -5.900 -1.808) 6.171 3.939 ( -2.464 -0.793 2.848) 3.849 3.997 ( 1.309 -0.685 -2.225) 2.671 4.030 ( -1.162 -0.934 1.733) 2.286 4.059 ( 1.170 -1.000 -0.450) 1.603 4.339 ( -1.641 -0.198 0.587) 1.754 4.358 ( 1.681 -0.480 0.392) 1.792 4.397 ( -0.712 -0.041 1.238) 1.428 4.416 ( -0.163 0.106 -1.180) 1.196 4.627 ( -0.961 -0.385 2.027) 2.276 4.648 ( -0.296 -0.803 -0.182) 0.874 4.678 ( -1.466 -0.309 3.614) 3.913 4.701 ( -4.166 -0.694 5.335) 6.805 4.743 ( -1.556 1.925 3.171) 4.022 4.765 ( 1.263 -0.302 -2.460) 2.782 4.842 ( 3.091 -1.290 -4.648) 5.729 4.885 ( 3.437 2.805 -5.888) 7.372 5.256 ( -0.202 5.105 0.567) 5.140 5.266 ( 0.405 5.011 -0.458) 5.048 5.298 ( -0.943 6.141 0.532) 6.236 5.313 ( 0.566 6.173 -0.429) 6.213 5.475 ( 0.033 3.618 0.492) 3.652 5.487 ( 0.543 3.320 -0.856) 3.471 5.561 ( -1.187 3.948 0.421) 4.144 5.574 ( 0.866 3.816 0.144) 3.915 6.172 ( -1.891 -2.025 1.884) 3.351 6.185 ( -0.160 -3.703 1.126) 3.874 6.259 ( -0.382 -5.269 1.257) 5.430 6.277 ( 1.731 -5.922 -0.554) 6.194 6.387 ( -1.867 -5.203 0.152) 5.530 6.411 ( 0.378 -3.144 -0.749) 3.254 6.508 ( -2.320 0.161 4.439) 5.012 6.630 ( 4.271 1.374 -6.464) 7.869 6.883 ( -4.272 0.557 0.806) 4.383 6.929 ( 2.644 1.439 0.008) 3.010 6.955 ( -0.390 -0.314 1.347) 1.437 6.993 ( 1.562 -2.227 -2.479) 3.680 ======================= Grid point 201 (100/115) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -1.838 2.086 0.394) 2.808 1.218 ( 1.579 4.337 -1.762) 4.941 1.295 ( -1.676 3.187 3.934) 5.333 1.329 ( -0.021 2.271 -0.458) 2.316 1.423 ( 0.094 3.045 2.148) 3.728 1.471 ( 2.663 -0.288 -0.594) 2.743 1.532 ( -3.926 -0.733 3.933) 5.606 1.628 ( 1.777 0.145 -2.382) 2.975 1.727 ( -2.922 -0.096 0.357) 2.945 1.799 ( -1.013 2.524 3.300) 4.276 1.827 ( 0.537 0.795 1.626) 1.888 1.874 ( -0.118 1.203 -0.930) 1.525 1.923 ( -2.559 2.028 -0.260) 3.275 1.986 ( -1.820 4.828 0.401) 5.175 2.006 ( 0.811 1.381 -1.239) 2.024 2.057 ( 2.473 3.072 0.549) 3.982 2.142 ( -1.603 -2.103 0.788) 2.759 2.192 ( 0.410 -1.905 0.454) 2.001 2.238 ( -1.517 2.433 4.586) 5.408 2.316 ( -1.873 4.929 1.237) 5.416 2.364 ( 3.450 -0.270 -5.803) 6.756 2.385 ( 2.225 -0.828 -0.255) 2.388 2.438 ( -0.314 1.706 0.155) 1.742 2.500 ( 3.869 -3.383 -5.204) 7.314 2.799 ( -2.019 0.287 1.074) 2.305 2.862 ( 1.122 -0.194 0.031) 1.139 2.920 ( -1.573 0.407 -2.733) 3.180 2.987 ( 3.842 -0.125 -2.394) 4.529 3.294 ( -1.729 9.559 0.522) 9.728 3.336 ( 1.527 8.401 -1.471) 8.665 3.388 ( -0.339 7.499 -1.403) 7.636 3.396 ( 0.867 6.608 0.559) 6.688 3.505 ( -0.429 5.928 1.139) 6.051 3.529 ( 0.833 5.958 -1.628) 6.233 3.551 ( -0.358 6.117 -0.171) 6.130 3.568 ( 1.165 5.721 -0.628) 5.872 3.944 ( -0.886 0.599 3.838) 3.985 3.982 ( 0.270 1.501 -2.593) 3.008 4.032 ( -0.052 1.146 2.149) 2.436 4.047 ( 0.031 1.907 -1.444) 2.392 4.331 ( -2.055 0.096 0.103) 2.060 4.373 ( 1.360 0.342 0.262) 1.427 4.385 ( -1.108 0.735 1.017) 1.674 4.413 ( 1.187 0.092 -0.534) 1.305 4.621 ( -1.209 0.952 2.856) 3.244 4.648 ( 0.099 0.573 -0.587) 0.826 4.678 ( -1.969 0.952 3.072) 3.771 4.721 ( -3.328 -1.039 4.967) 6.068 4.726 ( -2.726 -1.072 4.872) 5.685 4.767 ( 2.462 0.325 -3.518) 4.306 4.844 ( 2.428 1.164 -4.717) 5.432 4.882 ( 3.667 -2.830 -5.862) 7.471 5.264 ( -0.767 -5.657 -0.079) 5.709 5.275 ( 0.400 -5.277 0.618) 5.328 5.288 ( -0.843 -6.226 -0.213) 6.287 5.308 ( 0.726 -5.637 -0.186) 5.686 5.486 ( -0.015 -4.564 0.323) 4.575 5.494 ( 0.498 -4.119 -0.571) 4.188 5.561 ( -1.238 -4.097 0.301) 4.291 5.580 ( 0.342 -3.738 0.160) 3.757 6.170 ( -1.385 1.992 2.275) 3.326 6.182 ( -0.742 4.115 0.648) 4.231 6.258 ( -0.677 5.696 0.528) 5.761 6.302 ( 1.533 3.940 -0.937) 4.330 6.383 ( -2.626 3.584 0.544) 4.476 6.441 ( 0.525 0.911 1.894) 2.166 6.483 ( -1.620 3.366 3.176) 4.903 6.618 ( 4.700 -0.354 -6.861) 8.324 6.844 ( -0.680 2.210 1.394) 2.700 6.887 ( 1.917 3.325 -1.264) 4.041 6.988 ( -0.972 -2.274 2.520) 3.531 7.018 ( 0.066 -0.612 -3.030) 3.092 ======================= Grid point 206 (101/115) ======================= q-point: (-0.56 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 8.685 0.000 -2.147) 8.947 0.706 ( 15.078 0.000 0.883) 15.104 0.768 ( -11.658 -0.000 0.280) 11.662 0.912 ( 4.533 0.000 6.748) 8.130 0.924 ( -7.103 -0.000 -0.287) 7.108 0.988 ( -8.398 -0.000 6.627) 10.698 1.139 ( -2.394 -0.000 -3.811) 4.501 1.166 ( 0.999 0.000 -6.650) 6.725 1.275 ( -11.818 -0.000 8.673) 14.659 1.398 ( -1.082 -0.000 4.533) 4.660 1.439 ( 1.072 0.000 -1.941) 2.217 1.469 ( 4.960 0.000 -4.268) 6.543 1.538 ( 4.761 0.000 0.218) 4.766 1.591 ( -2.101 -0.000 -1.938) 2.859 1.725 ( -3.421 -0.000 3.770) 5.090 1.735 ( -9.125 -0.000 8.526) 12.488 1.784 ( 2.414 0.000 -3.169) 3.984 1.824 ( 7.159 0.000 -6.142) 9.433 2.031 ( 1.523 0.000 2.573) 2.989 2.125 ( -0.951 -0.000 -4.099) 4.208 2.180 ( -2.937 -0.000 2.077) 3.597 2.195 ( 3.863 0.000 -2.269) 4.480 2.201 ( -3.077 -0.000 9.733) 10.208 2.368 ( 2.897 0.000 -4.876) 5.672 2.492 ( 0.221 0.000 6.903) 6.907 2.593 ( -1.983 -0.000 1.216) 2.326 2.606 ( 2.931 0.000 -2.319) 3.737 2.698 ( 3.574 0.000 -5.598) 6.642 2.705 ( -3.347 -0.000 2.083) 3.942 2.732 ( 1.271 0.000 3.072) 3.324 2.770 ( 6.473 0.000 -8.847) 10.962 2.846 ( -1.148 -0.000 -5.307) 5.430 3.094 ( -3.030 -0.000 4.934) 5.790 3.136 ( -2.133 -0.000 2.629) 3.385 3.201 ( 5.421 0.000 -7.273) 9.072 3.253 ( 1.033 0.000 -6.850) 6.928 3.916 ( -2.830 -0.000 0.607) 2.895 3.936 ( 2.022 0.000 -3.291) 3.862 3.960 ( -2.271 -0.000 0.614) 2.353 3.968 ( 1.229 0.000 -2.533) 2.815 4.328 ( -0.544 -0.000 0.791) 0.960 4.351 ( 0.455 0.000 -1.090) 1.181 4.409 ( 2.684 0.000 3.768) 4.626 4.499 ( -2.920 -0.000 5.712) 6.415 4.528 ( -0.819 -0.000 -3.080) 3.187 4.574 ( -3.274 -0.000 6.056) 6.884 4.605 ( 2.284 0.000 -3.937) 4.551 4.696 ( 3.910 0.000 -5.946) 7.116 4.777 ( -3.942 -0.000 2.282) 4.555 4.815 ( -0.725 -0.000 -2.212) 2.328 4.913 ( -2.096 -0.000 6.138) 6.486 5.014 ( 1.660 0.000 -0.983) 1.929 5.071 ( 0.806 0.000 -0.795) 1.132 5.126 ( -0.845 -0.000 -2.309) 2.458 5.174 ( -2.761 -0.000 1.390) 3.091 5.178 ( 1.401 0.000 -0.428) 1.464 5.839 ( -0.451 -0.000 1.064) 1.155 5.866 ( 0.656 0.000 -1.396) 1.542 5.941 ( 0.092 0.000 0.231) 0.248 5.952 ( -0.339 -0.000 -0.343) 0.482 5.961 ( 0.700 0.000 -0.058) 0.703 5.964 ( -0.674 -0.000 0.270) 0.726 6.013 ( -0.520 -0.000 1.552) 1.637 6.040 ( 0.419 0.000 -0.964) 1.051 6.199 ( -3.913 -0.000 7.387) 8.360 6.352 ( 4.136 0.000 -7.020) 8.147 6.479 ( 0.598 0.000 8.322) 8.343 6.676 ( 0.040 0.000 -5.317) 5.317 6.830 ( 6.491 0.000 3.397) 7.326 6.856 ( -0.292 -0.000 2.730) 2.746 6.941 ( -0.542 -0.000 -3.687) 3.727 7.026 ( -1.084 -0.000 -5.084) 5.198 ======================= Grid point 207 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 11.480 -5.509 0.695) 12.753 0.829 ( -10.168 -7.704 -2.408) 12.982 0.939 ( -10.618 -7.997 6.029) 14.596 0.999 ( 6.429 -17.258 -0.548) 18.424 1.051 ( -2.152 -12.830 1.757) 13.127 1.103 ( 2.175 -8.403 -0.978) 8.735 1.195 ( 1.699 -8.824 2.885) 9.438 1.256 ( -6.726 -8.279 3.281) 11.160 1.307 ( -4.749 -9.458 2.467) 10.867 1.402 ( -1.478 -0.897 3.257) 3.687 1.456 ( 2.264 -0.729 -3.723) 4.418 1.481 ( 5.217 -1.469 -5.121) 7.457 1.654 ( -6.660 -3.899 4.563) 8.966 1.696 ( 3.904 -9.838 0.006) 10.585 1.776 ( -3.829 -12.740 3.050) 13.649 1.839 ( -0.144 -3.138 -0.014) 3.142 1.863 ( -0.436 -9.786 -2.007) 9.999 1.913 ( 5.881 -8.768 -2.450) 10.838 2.051 ( 0.864 -1.997 3.750) 4.336 2.129 ( -1.559 -3.700 -3.641) 5.420 2.205 ( -0.542 -2.308 2.896) 3.743 2.220 ( -3.006 -1.948 5.009) 6.158 2.264 ( 0.473 -4.850 0.364) 4.886 2.406 ( 2.876 -3.870 -5.450) 7.276 2.559 ( 0.585 -4.663 5.183) 6.997 2.621 ( -1.529 -3.419 0.932) 3.860 2.647 ( -0.182 -4.541 -2.046) 4.984 2.705 ( 1.505 -0.987 -3.419) 3.864 2.733 ( -0.189 -2.812 -1.103) 3.026 2.736 ( 2.277 -0.294 0.435) 2.337 2.818 ( 1.837 -4.139 -3.841) 5.938 2.851 ( 1.088 -3.246 -4.611) 5.743 3.091 ( -2.066 -0.150 4.177) 4.662 3.136 ( -1.407 -0.479 2.041) 2.525 3.197 ( 4.987 0.667 -6.482) 8.206 3.220 ( 1.386 1.513 -6.128) 6.462 3.903 ( -2.922 -0.126 0.964) 3.079 3.931 ( 2.138 0.240 -1.933) 2.892 3.952 ( -1.079 -0.287 0.670) 1.302 3.969 ( 0.300 -0.255 -1.068) 1.139 4.328 ( -0.454 -0.070 0.955) 1.060 4.345 ( 0.130 0.282 -0.705) 0.770 4.421 ( 2.453 1.212 3.361) 4.334 4.479 ( -2.003 1.251 -1.767) 2.950 4.542 ( -2.041 -1.890 3.325) 4.335 4.601 ( -2.191 -1.891 3.332) 4.414 4.622 ( 0.632 -1.252 -1.093) 1.778 4.720 ( 3.506 -1.193 -4.833) 6.089 4.750 ( -1.940 1.393 2.215) 3.257 4.802 ( 0.300 0.704 -2.558) 2.670 4.889 ( -2.512 1.959 6.357) 7.111 5.012 ( 2.871 1.056 -5.623) 6.402 5.212 ( 0.050 -14.590 2.861) 14.868 5.268 ( -0.949 -14.432 -2.684) 14.710 5.317 ( -2.111 -14.801 2.287) 15.125 5.349 ( 2.176 -15.475 -1.039) 15.662 5.785 ( -0.140 5.633 0.977) 5.718 5.807 ( 0.160 5.913 -1.185) 6.033 5.879 ( -0.198 6.885 0.421) 6.901 5.885 ( -0.145 6.499 -0.206) 6.504 5.907 ( 0.078 4.881 0.073) 4.883 5.909 ( -0.198 4.715 -0.067) 4.719 5.980 ( -0.157 3.461 1.366) 3.724 5.999 ( 0.061 3.974 -0.570) 4.016 6.224 ( -3.300 -1.546 6.481) 7.435 6.358 ( 3.022 -0.531 -6.482) 7.172 6.509 ( -0.102 0.007 8.442) 8.442 6.663 ( 0.394 -0.528 -6.928) 6.959 6.859 ( 5.504 0.707 1.816) 5.839 6.884 ( 0.814 -0.871 2.920) 3.154 6.921 ( -1.049 0.589 -2.085) 2.407 6.985 ( -3.394 0.346 -4.622) 5.745 ======================= Grid point 208 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -12.345 -8.428 -2.498) 15.154 0.994 ( 9.977 -8.014 1.610) 12.898 1.062 ( -7.825 -7.898 7.119) 13.201 1.189 ( 2.317 -5.125 -3.590) 6.673 1.308 ( -1.399 -6.656 8.257) 10.698 1.348 ( -1.432 -11.297 0.837) 11.418 1.403 ( 1.894 -9.776 -0.379) 9.965 1.435 ( 1.400 -5.727 -1.765) 6.154 1.489 ( -1.157 -10.956 0.716) 11.041 1.510 ( 1.494 -9.791 -0.830) 9.939 1.560 ( -1.603 -11.349 1.620) 11.575 1.606 ( 0.241 -11.209 -2.021) 11.392 1.718 ( -4.075 -7.050 3.109) 8.717 1.827 ( 4.868 -1.183 -4.665) 6.846 1.875 ( -1.045 -2.651 4.812) 5.592 1.944 ( 2.088 -4.552 -2.448) 5.574 2.056 ( -2.080 -3.102 4.412) 5.781 2.119 ( 0.418 -11.278 -0.782) 11.313 2.205 ( -3.231 -3.345 -2.409) 5.238 2.229 ( 1.200 -5.728 4.433) 7.342 2.286 ( -0.983 -6.064 2.384) 6.590 2.316 ( -0.765 -12.975 2.342) 13.207 2.381 ( 0.239 -8.248 -1.750) 8.435 2.477 ( 3.849 -2.649 -8.644) 9.826 2.665 ( -2.433 -3.838 4.312) 6.264 2.724 ( -1.069 -5.134 -1.019) 5.342 2.756 ( 1.236 -6.992 1.190) 7.199 2.762 ( 1.153 -6.420 -1.591) 6.714 2.813 ( -0.044 -10.308 -1.371) 10.399 2.829 ( 1.970 -9.579 -4.784) 10.887 2.936 ( -0.093 -8.229 0.140) 8.231 2.967 ( 1.824 -8.120 -1.942) 8.546 3.130 ( -0.604 -4.491 2.276) 5.071 3.182 ( 0.738 -4.767 -1.851) 5.166 3.198 ( 0.763 -2.881 -2.953) 4.195 3.223 ( 2.752 -3.707 -3.101) 5.562 3.899 ( -3.303 -0.796 1.522) 3.723 3.949 ( 2.579 -1.239 -1.163) 3.088 3.966 ( -1.638 -1.241 0.924) 2.253 3.985 ( 1.211 -1.446 0.263) 1.904 4.333 ( -0.391 -0.405 0.794) 0.974 4.343 ( 0.090 -0.052 -0.177) 0.205 4.415 ( 1.344 1.338 2.853) 3.426 4.437 ( -1.811 1.148 -2.764) 3.499 4.577 ( -1.801 -1.668 2.769) 3.701 4.625 ( 0.766 -0.593 -1.251) 1.582 4.645 ( -3.103 -1.495 4.235) 5.458 4.711 ( -0.401 1.721 3.538) 3.955 4.748 ( 1.686 -0.606 -4.474) 4.819 4.785 ( 1.956 0.274 -3.363) 3.900 4.861 ( -2.551 1.776 6.258) 6.987 4.982 ( 3.222 1.776 -6.159) 7.174 5.551 ( 0.002 -13.610 2.158) 13.780 5.577 ( -0.436 -10.284 -2.042) 10.494 5.633 ( -0.694 -5.392 0.918) 5.513 5.646 ( 0.361 -0.165 -0.033) 0.398 5.660 ( -0.823 -1.553 1.146) 2.098 5.689 ( 0.692 -4.646 -1.368) 4.892 5.713 ( -0.240 7.017 0.826) 7.069 5.725 ( 0.142 7.722 -0.447) 7.736 5.802 ( -0.988 2.299 -0.608) 2.575 5.812 ( 1.839 1.347 0.149) 2.285 5.903 ( -0.407 3.279 0.317) 3.319 5.910 ( 1.142 2.894 0.456) 3.144 6.250 ( -2.467 -0.785 5.920) 6.462 6.356 ( 1.865 -0.005 -5.783) 6.076 6.524 ( -1.779 0.669 8.468) 8.679 6.655 ( 2.123 -0.213 -7.633) 7.926 6.847 ( -6.609 0.272 -1.908) 6.884 6.895 ( 4.710 -1.215 -0.052) 4.865 6.951 ( 1.933 -1.134 2.911) 3.674 6.967 ( -1.466 -0.442 -2.153) 2.642 ======================= Grid point 209 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -9.089 -8.572 -0.767) 12.517 1.172 ( -0.761 -6.252 3.410) 7.162 1.206 ( 2.106 -6.843 3.228) 7.854 1.286 ( 0.067 -4.892 -0.736) 4.948 1.415 ( -2.084 -3.796 4.585) 6.307 1.450 ( -1.398 -1.022 -1.534) 2.314 1.493 ( 2.757 -2.654 1.311) 4.045 1.533 ( 2.857 -4.382 -2.711) 5.892 1.655 ( -4.645 -4.303 3.139) 7.067 1.721 ( 0.474 -8.358 0.221) 8.374 1.735 ( 0.115 -8.734 -1.369) 8.841 1.793 ( 2.135 -5.610 -1.204) 6.122 1.858 ( 0.189 -4.444 -0.678) 4.500 1.895 ( 3.325 -5.378 0.092) 6.324 1.942 ( -3.165 -5.662 0.341) 6.495 2.034 ( 4.368 -2.801 0.158) 5.191 2.089 ( -5.977 -1.735 8.613) 10.627 2.201 ( -2.356 -0.271 1.001) 2.574 2.252 ( 2.016 -2.738 -1.974) 3.932 2.286 ( 2.866 -0.689 -4.594) 5.459 2.327 ( -4.761 -0.912 4.884) 6.882 2.464 ( 3.157 -1.699 -5.980) 6.972 2.484 ( -0.900 1.125 -0.110) 1.445 2.500 ( 0.590 -0.468 -2.681) 2.785 2.748 ( -1.396 -3.501 1.717) 4.142 2.825 ( 2.530 -2.778 -1.497) 4.044 2.889 ( -1.683 -5.159 -1.250) 5.569 2.955 ( 4.042 -6.232 -1.938) 7.676 3.014 ( -0.825 -14.517 2.663) 14.783 3.071 ( 1.671 -15.115 -4.374) 15.824 3.140 ( -2.336 -15.047 -0.975) 15.258 3.187 ( 2.323 -13.602 -0.330) 13.803 3.296 ( -1.005 -12.054 0.108) 12.097 3.332 ( 1.933 -11.578 -0.620) 11.754 3.364 ( 0.125 -11.411 0.088) 11.412 3.381 ( 1.019 -11.028 -1.555) 11.183 3.908 ( -3.265 -1.290 2.242) 4.165 3.981 ( 0.186 -0.993 -0.076) 1.013 3.992 ( -0.020 -2.223 -0.378) 2.255 4.033 ( 1.598 -2.210 0.389) 2.754 4.338 ( -0.408 0.383 0.625) 0.839 4.349 ( 0.122 -0.881 -0.264) 0.928 4.403 ( -0.744 0.517 0.317) 0.960 4.410 ( -0.383 0.369 0.049) 0.534 4.605 ( -1.464 -1.512 1.626) 2.659 4.633 ( 0.515 -0.462 -0.513) 0.861 4.672 ( -3.161 -1.485 4.301) 5.540 4.692 ( -1.575 0.987 4.549) 4.914 4.750 ( 1.987 -0.396 -4.430) 4.871 4.783 ( 0.079 0.841 0.178) 0.863 4.837 ( -0.206 0.835 1.582) 1.801 4.939 ( 3.459 2.566 -6.209) 7.556 5.423 ( -0.089 10.802 0.041) 10.802 5.433 ( 0.659 10.657 -0.041) 10.677 5.478 ( -0.713 11.494 0.712) 11.538 5.494 ( 0.266 11.204 -0.406) 11.215 5.598 ( 0.113 8.115 -0.193) 8.119 5.609 ( 1.073 8.028 -0.118) 8.100 5.674 ( -1.018 6.162 0.575) 6.272 5.692 ( 0.338 6.354 -0.095) 6.363 5.989 ( -2.073 -14.850 1.351) 15.055 6.040 ( 0.513 -14.195 -1.164) 14.252 6.072 ( 0.960 -14.178 1.459) 14.285 6.093 ( 1.237 -13.202 -0.241) 13.262 6.284 ( -1.356 -2.913 4.777) 5.757 6.354 ( 1.493 -1.268 -4.715) 5.106 6.520 ( -3.128 0.910 7.256) 7.954 6.646 ( 3.614 0.213 -7.264) 8.116 6.828 ( -6.896 -2.226 -0.303) 7.253 6.943 ( 1.242 -1.194 -0.898) 1.943 6.956 ( -0.785 -0.595 -0.850) 1.301 6.983 ( 3.928 0.570 1.327) 4.185 ======================= Grid point 210 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -5.418 -5.833 0.781) 7.999 1.258 ( -0.015 -1.701 1.123) 2.038 1.304 ( -0.741 -1.197 1.406) 1.990 1.344 ( -0.612 -0.666 -0.198) 0.925 1.440 ( 0.716 -2.269 -1.695) 2.921 1.478 ( -0.512 -0.496 3.297) 3.373 1.530 ( 1.475 0.394 3.189) 3.535 1.610 ( 2.939 -2.456 -2.726) 4.701 1.695 ( -4.165 -1.799 2.648) 5.253 1.818 ( -0.541 -1.522 3.055) 3.455 1.831 ( 1.352 -1.912 -1.178) 2.621 1.858 ( 1.044 -1.694 -1.581) 2.541 1.910 ( -2.333 -0.806 0.343) 2.492 1.989 ( -2.062 -0.979 0.736) 2.399 2.007 ( 2.051 -5.769 -2.265) 6.528 2.097 ( 1.330 1.109 2.677) 3.188 2.125 ( -1.073 -1.695 3.912) 4.396 2.167 ( -1.035 1.738 -1.205) 2.354 2.271 ( -2.157 -0.455 2.546) 3.368 2.316 ( 2.293 -2.841 -2.784) 4.591 2.357 ( 0.166 -1.667 -0.237) 1.692 2.421 ( -2.549 3.790 0.654) 4.614 2.464 ( 3.635 0.933 -4.802) 6.095 2.474 ( 1.111 1.183 -2.192) 2.727 2.788 ( -0.720 -1.090 0.830) 1.547 2.859 ( 1.523 -0.615 -0.461) 1.706 2.907 ( -1.461 -0.114 -2.765) 3.129 2.996 ( 3.408 -0.249 -2.120) 4.022 3.308 ( -0.347 -8.310 0.936) 8.370 3.327 ( 0.732 -9.194 -2.325) 9.512 3.370 ( -1.014 -8.429 -0.231) 8.493 3.403 ( 0.793 -6.077 -0.194) 6.131 3.499 ( -0.431 -6.849 0.687) 6.897 3.530 ( 1.144 -6.095 -0.682) 6.239 3.554 ( 0.112 -5.870 -1.169) 5.986 3.563 ( 0.872 -6.319 0.122) 6.380 3.931 ( -2.376 -1.810 2.888) 4.155 3.993 ( -0.141 -0.148 -0.531) 0.569 4.032 ( 0.266 -1.508 -0.031) 1.532 4.068 ( 1.009 -0.222 -0.511) 1.152 4.325 ( -1.309 0.304 -0.026) 1.344 4.371 ( 0.518 -1.038 -0.063) 1.161 4.396 ( -0.699 0.394 1.334) 1.557 4.411 ( 0.059 -0.547 -0.372) 0.664 4.627 ( -1.243 -0.765 1.622) 2.182 4.647 ( -0.048 -0.604 0.548) 0.817 4.685 ( -1.302 -0.057 3.051) 3.317 4.693 ( -3.851 -0.677 5.721) 6.929 4.745 ( -1.886 1.943 3.199) 4.191 4.763 ( 1.332 -0.622 -2.543) 2.937 4.845 ( 2.877 -1.089 -4.460) 5.419 4.884 ( 3.501 2.783 -6.065) 7.536 5.255 ( -0.221 5.249 0.134) 5.255 5.271 ( 0.571 5.035 -0.291) 5.076 5.292 ( -0.795 6.334 0.655) 6.417 5.314 ( 0.200 6.004 -0.403) 6.020 5.478 ( 0.251 3.528 0.167) 3.541 5.490 ( 0.419 3.573 -0.417) 3.622 5.555 ( -0.424 4.151 0.427) 4.194 5.582 ( 0.490 3.843 0.074) 3.875 6.163 ( -1.721 -2.704 1.651) 3.605 6.190 ( -0.489 -3.507 1.146) 3.722 6.268 ( 0.749 -4.380 0.467) 4.468 6.292 ( 1.434 -5.821 -0.359) 6.006 6.367 ( -1.264 -4.246 -0.366) 4.445 6.418 ( -0.179 -3.861 1.852) 4.286 6.510 ( -2.096 0.146 3.545) 4.120 6.634 ( 4.231 1.116 -6.640) 7.952 6.848 ( -3.529 -2.063 1.058) 4.222 6.944 ( 0.029 0.807 0.314) 0.866 6.954 ( -0.946 0.245 0.421) 1.064 7.000 ( 2.941 -0.432 -2.180) 3.686 ======================= Grid point 216 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -12.635 -0.000 1.532) 12.728 0.751 ( -4.624 -0.000 -1.550) 4.877 0.791 ( -2.666 -0.000 -2.733) 3.818 0.872 ( 12.733 0.000 2.977) 13.076 0.965 ( -5.935 -0.000 5.385) 8.014 0.997 ( 4.809 0.000 4.789) 6.787 1.087 ( -3.718 -0.000 -2.590) 4.532 1.147 ( 2.448 0.000 -4.426) 5.058 1.247 ( -6.147 -0.000 13.127) 14.495 1.400 ( -2.727 -0.000 3.063) 4.102 1.441 ( 3.026 0.000 -3.234) 4.429 1.499 ( 5.942 0.000 -6.020) 8.458 1.546 ( -4.297 -0.000 -1.321) 4.496 1.586 ( 3.931 0.000 -0.225) 3.938 1.681 ( -10.574 -0.000 9.323) 14.096 1.726 ( -0.907 -0.000 2.404) 2.570 1.778 ( 1.822 0.000 -3.675) 4.102 1.887 ( 9.747 0.000 -4.594) 10.775 2.058 ( 0.212 0.000 2.903) 2.911 2.089 ( -1.243 -0.000 -3.635) 3.841 2.157 ( -3.070 -0.000 0.649) 3.137 2.215 ( 2.765 0.000 -2.411) 3.669 2.224 ( -4.382 -0.000 9.833) 10.765 2.363 ( 2.204 0.000 -5.298) 5.738 2.535 ( -1.185 -0.000 7.756) 7.846 2.578 ( -1.899 -0.000 0.497) 1.963 2.603 ( -0.313 -0.000 -3.241) 3.256 2.683 ( -3.056 -0.000 1.722) 3.508 2.700 ( 4.809 0.000 -7.263) 8.711 2.767 ( 1.026 0.000 3.701) 3.840 2.774 ( 3.027 0.000 -6.538) 7.205 2.812 ( 2.028 0.000 -6.141) 6.467 3.092 ( -2.854 -0.000 3.923) 4.851 3.142 ( -0.630 -0.000 4.118) 4.165 3.214 ( 5.660 0.000 -6.997) 9.000 3.224 ( 1.580 0.000 -6.615) 6.801 3.891 ( -2.737 -0.000 1.409) 3.079 3.938 ( 1.747 0.000 -1.999) 2.654 3.942 ( -1.756 -0.000 0.579) 1.849 3.975 ( 2.329 0.000 -1.644) 2.851 4.332 ( 0.045 0.000 1.078) 1.079 4.347 ( 0.199 0.000 -1.369) 1.384 4.459 ( 2.082 0.000 3.724) 4.267 4.490 ( -2.034 -0.000 -4.195) 4.662 4.505 ( -2.928 -0.000 5.825) 6.520 4.575 ( -3.827 -0.000 6.203) 7.289 4.604 ( 2.680 0.000 -4.591) 5.316 4.695 ( 2.982 0.000 -6.016) 6.714 4.765 ( -1.335 -0.000 2.866) 3.162 4.809 ( 1.645 0.000 -1.122) 1.991 4.928 ( -2.171 -0.000 5.451) 5.867 5.022 ( 2.033 0.000 -2.952) 3.584 5.076 ( 0.460 0.000 1.154) 1.242 5.105 ( -0.175 -0.000 -2.334) 2.341 5.160 ( -1.935 -0.000 1.586) 2.502 5.189 ( 1.166 0.000 -0.255) 1.194 5.841 ( -0.461 -0.000 1.104) 1.196 5.864 ( 0.578 0.000 -1.409) 1.523 5.944 ( 0.063 0.000 0.386) 0.392 5.946 ( -0.298 -0.000 -0.261) 0.396 5.959 ( -0.568 -0.000 0.156) 0.589 5.968 ( 0.731 0.000 -0.107) 0.739 6.017 ( -0.516 -0.000 1.457) 1.546 6.038 ( 0.305 0.000 -1.039) 1.083 6.203 ( -4.270 -0.000 7.519) 8.647 6.346 ( 3.266 0.000 -6.994) 7.719 6.539 ( 0.983 0.000 8.131) 8.190 6.633 ( -0.398 -0.000 -7.033) 7.044 6.881 ( 1.577 0.000 2.624) 3.061 6.907 ( -1.214 -0.000 -3.905) 4.089 6.917 ( 4.441 0.000 5.133) 6.787 6.962 ( -3.506 -0.000 -7.709) 8.469 ======================= Grid point 217 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -14.804 -6.266 -2.760) 16.310 0.849 ( -9.027 -13.983 4.871) 17.341 0.923 ( 7.769 -6.719 1.418) 10.369 1.022 ( -6.373 -10.527 4.292) 13.033 1.079 ( 4.785 -16.061 0.523) 16.767 1.120 ( 6.121 -4.389 -2.928) 8.081 1.217 ( -2.175 -12.882 -0.100) 13.065 1.244 ( 1.942 -11.237 3.205) 11.846 1.300 ( -2.720 -4.952 9.330) 10.908 1.398 ( -2.339 -1.227 2.408) 3.574 1.457 ( 2.141 -0.489 -3.671) 4.278 1.500 ( 5.303 -1.125 -6.626) 8.561 1.598 ( -7.806 -4.592 3.822) 9.830 1.739 ( -3.634 -12.405 2.884) 13.244 1.758 ( 3.720 -10.240 0.210) 10.896 1.839 ( -1.610 -9.465 1.703) 9.751 1.865 ( 3.760 -5.157 -2.086) 6.714 1.966 ( 7.319 -6.889 -3.732) 10.722 2.076 ( -1.047 -2.454 4.062) 4.859 2.088 ( -1.763 -3.059 -3.791) 5.180 2.184 ( -3.563 -3.584 0.272) 5.061 2.236 ( -0.846 -1.770 4.177) 4.614 2.270 ( -1.763 -3.922 3.700) 5.672 2.397 ( 2.735 -3.866 -6.808) 8.293 2.592 ( -1.166 -3.872 5.230) 6.611 2.606 ( -1.442 -3.946 0.112) 4.203 2.619 ( -1.862 -4.255 -3.050) 5.557 2.693 ( -1.761 -1.347 0.056) 2.218 2.729 ( 3.987 -2.693 -5.990) 7.683 2.770 ( 2.365 0.273 1.252) 2.690 2.799 ( -1.056 -4.289 -1.930) 4.820 2.851 ( 3.675 -4.113 -4.368) 7.036 3.094 ( -1.737 -0.924 2.845) 3.459 3.141 ( -1.024 0.673 3.448) 3.659 3.197 ( 2.524 1.194 -6.425) 7.006 3.215 ( 4.943 0.624 -5.346) 7.307 3.881 ( -2.667 0.047 1.700) 3.163 3.936 ( -0.477 -0.307 -0.166) 0.591 3.951 ( 1.401 -0.648 -0.078) 1.546 3.979 ( 1.898 -0.008 -0.240) 1.913 4.329 ( -0.410 0.196 0.788) 0.910 4.345 ( 0.544 0.009 -0.305) 0.624 4.438 ( -2.668 1.367 -3.006) 4.245 4.461 ( 1.169 1.568 2.916) 3.512 4.543 ( -2.072 -2.098 3.863) 4.860 4.598 ( -3.171 -1.829 4.617) 5.892 4.621 ( 1.434 -1.152 -2.613) 3.195 4.719 ( 2.385 -1.871 -5.626) 6.390 4.757 ( 0.059 1.568 3.355) 3.704 4.803 ( 2.271 1.242 -1.462) 2.972 4.902 ( -2.420 1.879 5.858) 6.611 5.006 ( 2.918 1.031 -5.953) 6.709 5.220 ( -1.599 -14.161 1.277) 14.308 5.259 ( 1.625 -14.625 -0.153) 14.716 5.307 ( -2.074 -14.782 1.682) 15.021 5.365 ( 2.366 -15.590 -1.447) 15.834 5.792 ( 0.166 5.338 0.936) 5.422 5.803 ( 0.542 5.963 -1.045) 6.078 5.880 ( -0.244 6.873 0.494) 6.895 5.882 ( -0.166 6.410 -0.069) 6.412 5.904 ( -0.203 4.899 0.049) 4.903 5.915 ( 0.897 4.616 0.100) 4.703 5.985 ( -0.397 3.384 0.991) 3.549 5.997 ( 0.171 3.907 -0.619) 3.959 6.229 ( -3.658 -1.801 6.585) 7.746 6.346 ( 2.498 -0.308 -6.294) 6.779 6.562 ( 0.301 0.787 8.225) 8.268 6.622 ( 0.548 -1.137 -7.725) 7.828 6.837 ( -7.068 3.435 -4.883) 9.251 6.901 ( 1.581 -0.226 0.489) 1.670 6.928 ( -1.495 -1.051 -2.650) 3.219 6.962 ( 3.704 -0.935 4.076) 5.586 ======================= Grid point 218 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -11.256 -10.531 -0.568) 15.425 1.017 ( -8.521 -7.778 9.113) 14.702 1.105 ( 6.600 -8.102 1.448) 10.550 1.193 ( 2.515 -4.229 -1.811) 5.243 1.318 ( -3.680 -10.494 2.095) 11.316 1.354 ( 0.812 -10.516 3.697) 11.176 1.402 ( -0.563 -3.750 -2.013) 4.293 1.443 ( 2.813 -6.485 -2.522) 7.505 1.491 ( 0.915 -13.576 0.726) 13.626 1.521 ( 0.956 -9.910 -0.320) 9.961 1.551 ( -2.693 -9.179 2.837) 9.977 1.600 ( 0.889 -10.007 -1.505) 10.159 1.695 ( -2.853 -10.131 1.911) 10.697 1.840 ( 2.994 -1.794 -4.113) 5.395 1.906 ( 0.678 -0.226 4.590) 4.646 1.975 ( 5.061 -6.736 -0.792) 8.462 2.052 ( -2.684 -2.872 2.619) 4.723 2.123 ( 0.580 -10.219 0.444) 10.245 2.151 ( -3.748 -3.794 -2.913) 6.077 2.259 ( -1.957 -5.768 5.165) 7.986 2.276 ( -1.456 -6.726 0.386) 6.892 2.331 ( 1.167 -11.529 0.687) 11.608 2.364 ( -1.397 -7.408 -0.988) 7.603 2.460 ( 3.257 -2.985 -8.489) 9.570 2.666 ( -2.431 -3.304 3.963) 5.704 2.707 ( -0.937 -6.471 -1.339) 6.674 2.746 ( -0.110 -9.656 -2.502) 9.976 2.774 ( -1.011 -8.968 2.715) 9.425 2.821 ( 2.266 -6.149 -1.635) 6.753 2.825 ( 3.091 -8.045 -3.513) 9.307 2.936 ( 0.077 -8.989 -0.221) 8.992 2.973 ( 1.683 -8.349 -2.016) 8.752 3.135 ( -0.728 -3.325 1.560) 3.744 3.178 ( 0.176 -6.284 -1.133) 6.387 3.195 ( 2.030 -2.919 -2.399) 4.290 3.236 ( 3.272 -3.118 -2.889) 5.365 3.878 ( -2.775 -0.694 2.043) 3.515 3.948 ( -1.328 -1.276 0.363) 1.877 3.972 ( 1.940 -0.805 -0.617) 2.189 4.005 ( 1.545 -1.539 0.727) 2.299 4.333 ( -0.018 -0.522 0.438) 0.681 4.347 ( 0.396 0.235 0.349) 0.578 4.397 ( -2.101 0.610 -2.809) 3.560 4.440 ( -0.080 1.668 2.450) 2.965 4.576 ( -1.806 -1.340 3.037) 3.779 4.625 ( -0.291 -0.931 0.382) 1.047 4.639 ( -1.998 -1.204 2.600) 3.493 4.727 ( -0.591 1.008 1.032) 1.559 4.741 ( 2.316 0.341 -2.236) 3.237 4.791 ( 2.482 0.470 -2.469) 3.532 4.873 ( -2.407 1.907 5.602) 6.389 4.977 ( 3.428 1.688 -6.350) 7.411 5.559 ( -0.437 -17.008 0.269) 17.016 5.568 ( 0.256 -8.523 0.497) 8.541 5.631 ( -0.929 -8.098 0.843) 8.194 5.648 ( 0.303 4.770 -0.343) 4.791 5.657 ( -0.821 -4.655 0.855) 4.804 5.686 ( 0.253 0.131 -1.097) 1.133 5.717 ( -0.012 5.420 0.523) 5.445 5.724 ( 0.156 7.841 -0.165) 7.844 5.791 ( -0.186 3.739 -0.456) 3.771 5.834 ( 1.645 2.913 0.225) 3.353 5.907 ( 1.087 1.007 0.171) 1.492 5.928 ( 1.803 1.452 0.206) 2.325 6.261 ( -2.492 -1.275 5.908) 6.538 6.340 ( 1.904 0.071 -5.367) 5.695 6.557 ( -2.139 1.885 8.045) 8.536 6.628 ( 2.264 -1.179 -7.971) 8.370 6.751 ( -8.584 -0.793 -2.225) 8.903 6.920 ( 1.025 -1.022 -0.502) 1.532 6.937 ( -0.828 -0.827 -1.212) 1.685 7.009 ( 3.522 -0.600 2.660) 4.454 ======================= Grid point 219 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -6.350 -10.254 1.582) 12.164 1.150 ( -6.395 -7.307 6.863) 11.890 1.276 ( -1.404 -5.360 -0.587) 5.572 1.282 ( 6.635 -4.120 0.926) 7.865 1.399 ( -1.437 -1.300 -3.572) 4.064 1.434 ( -2.403 -3.683 3.209) 5.444 1.527 ( 1.876 -3.580 1.409) 4.280 1.552 ( 3.642 -4.397 -2.441) 6.209 1.629 ( -4.351 -3.584 3.825) 6.812 1.728 ( 0.330 -8.963 -1.169) 9.045 1.730 ( 0.930 -8.627 -0.135) 8.678 1.804 ( 1.054 -7.561 -0.715) 7.668 1.866 ( 2.180 -4.675 -2.084) 5.563 1.906 ( -0.368 -0.931 0.219) 1.025 1.937 ( 0.967 -6.132 0.476) 6.226 2.061 ( -4.004 -1.706 6.290) 7.649 2.095 ( 0.738 -3.372 2.878) 4.494 2.177 ( -1.917 -1.577 -0.371) 2.510 2.256 ( 2.506 -4.034 -4.546) 6.574 2.276 ( -0.231 2.703 -2.447) 3.653 2.320 ( -3.023 -2.106 6.068) 7.099 2.439 ( 0.541 -1.323 -6.981) 7.126 2.477 ( -0.519 -0.927 -0.158) 1.075 2.494 ( 0.368 0.061 -1.608) 1.650 2.752 ( 0.650 -3.401 0.961) 3.593 2.844 ( 2.713 -2.691 -1.064) 3.967 2.869 ( -1.255 -3.445 -0.519) 3.703 2.978 ( 2.275 -5.328 -1.891) 6.094 3.025 ( -0.106 -16.757 2.956) 17.016 3.062 ( 1.487 -15.646 -4.212) 16.271 3.112 ( -1.423 -14.259 -1.280) 14.387 3.201 ( 1.152 -13.353 -1.088) 13.446 3.292 ( -0.237 -12.341 0.588) 12.358 3.348 ( 1.822 -11.366 -0.667) 11.530 3.364 ( 0.227 -11.523 -0.371) 11.531 3.384 ( 0.921 -10.759 -0.810) 10.829 3.891 ( -2.743 -1.476 2.602) 4.059 3.970 ( -1.884 -1.530 1.498) 2.852 4.001 ( 1.825 -1.506 -1.844) 3.000 4.048 ( 0.982 -1.876 -0.113) 2.120 4.332 ( -0.734 0.893 -0.559) 1.284 4.351 ( 0.295 -0.905 0.454) 1.055 4.387 ( -0.291 -0.862 -1.095) 1.424 4.416 ( -1.052 1.136 1.983) 2.516 4.600 ( -1.803 -1.392 2.156) 3.137 4.636 ( 0.626 -0.515 -0.532) 0.970 4.665 ( -3.257 -1.570 4.402) 5.697 4.706 ( -1.186 1.309 4.014) 4.385 4.745 ( 2.339 -0.604 -4.346) 4.972 4.785 ( -0.227 1.163 0.520) 1.294 4.843 ( -0.249 1.054 1.227) 1.637 4.936 ( 3.588 2.490 -6.322) 7.684 5.424 ( 0.473 10.903 -0.131) 10.915 5.439 ( 0.482 10.770 0.008) 10.781 5.476 ( -0.629 11.696 0.787) 11.740 5.493 ( 0.114 11.216 -0.350) 11.222 5.602 ( 0.754 8.128 0.101) 8.164 5.618 ( 0.732 8.200 -0.149) 8.234 5.667 ( -0.807 5.761 0.377) 5.830 5.693 ( 0.009 5.824 -0.133) 5.826 5.978 ( -1.601 -15.395 1.475) 15.548 6.033 ( -0.269 -14.538 -0.917) 14.570 6.094 ( 1.395 -12.817 1.171) 12.946 6.108 ( 1.728 -12.853 -0.115) 12.969 6.299 ( -0.794 -2.168 3.542) 4.229 6.346 ( 1.675 -2.068 -3.074) 4.066 6.527 ( -3.971 1.591 6.475) 7.761 6.637 ( 3.494 -0.583 -7.579) 8.366 6.759 ( -5.604 -3.836 0.285) 6.797 6.940 ( -0.571 -0.979 -0.986) 1.503 6.942 ( -0.728 -0.353 -0.056) 0.811 7.030 ( 3.505 0.823 0.451) 3.628 ======================= Grid point 226 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -11.986 -0.000 3.999) 12.636 0.554 ( -18.783 -0.000 -3.282) 19.068 0.863 ( 6.728 0.000 0.525) 6.749 0.928 ( -7.404 -0.000 5.961) 9.505 0.981 ( 5.902 0.000 -0.326) 5.911 1.038 ( -3.754 -0.000 0.540) 3.793 1.077 ( 5.216 0.000 4.178) 6.683 1.172 ( 6.580 0.000 -1.909) 6.851 1.302 ( -0.091 -0.000 13.670) 13.671 1.387 ( -2.660 -0.000 2.334) 3.539 1.455 ( 2.539 0.000 -3.627) 4.427 1.486 ( -4.825 -0.000 -0.470) 4.848 1.518 ( 5.591 0.000 -7.659) 9.482 1.610 ( 1.634 0.000 -1.205) 2.030 1.630 ( -9.493 -0.000 8.074) 12.462 1.745 ( 0.844 0.000 3.290) 3.396 1.777 ( 1.827 0.000 -3.115) 3.612 1.958 ( 9.565 0.000 -5.703) 11.136 2.057 ( -0.406 -0.000 -3.444) 3.468 2.068 ( -2.407 -0.000 3.920) 4.600 2.124 ( -4.043 -0.000 0.801) 4.122 2.222 ( 1.345 0.000 -2.191) 2.571 2.234 ( -4.368 -0.000 8.486) 9.544 2.350 ( 2.179 0.000 -5.986) 6.370 2.541 ( -4.146 -0.000 2.762) 4.982 2.563 ( -2.096 -0.000 -4.897) 5.326 2.578 ( -0.915 -0.000 4.361) 4.456 2.666 ( -2.193 -0.000 1.747) 2.804 2.707 ( 5.140 0.000 -7.238) 8.877 2.749 ( -0.500 -0.000 -4.239) 4.268 2.796 ( -0.226 -0.000 4.252) 4.258 2.816 ( 5.854 0.000 -6.914) 9.059 3.086 ( -2.106 -0.000 3.049) 3.706 3.168 ( -0.099 -0.000 5.118) 5.119 3.203 ( 2.636 0.000 -6.650) 7.153 3.235 ( 5.801 0.000 -6.024) 8.363 3.877 ( -2.347 -0.000 2.284) 3.275 3.934 ( -0.965 -0.000 1.350) 1.659 3.949 ( 1.767 0.000 -0.669) 1.890 3.992 ( 2.264 0.000 -1.074) 2.506 4.339 ( 0.138 0.000 0.856) 0.867 4.342 ( 0.550 0.000 -0.749) 0.930 4.435 ( -2.969 -0.000 -4.572) 5.452 4.493 ( -0.120 -0.000 3.229) 3.231 4.510 ( -3.230 -0.000 5.947) 6.767 4.574 ( -3.346 -0.000 5.863) 6.750 4.603 ( 3.014 0.000 -5.078) 5.905 4.685 ( 2.409 0.000 -5.887) 6.361 4.783 ( 0.768 0.000 3.515) 3.598 4.834 ( 3.655 0.000 -0.076) 3.656 4.933 ( -2.716 -0.000 4.443) 5.208 5.018 ( 2.117 0.000 -4.893) 5.331 5.094 ( 0.566 0.000 -2.134) 2.208 5.099 ( 1.294 0.000 3.185) 3.438 5.149 ( -1.764 -0.000 1.059) 2.058 5.202 ( 1.390 0.000 0.354) 1.434 5.843 ( -0.521 -0.000 1.094) 1.212 5.861 ( 0.538 0.000 -1.364) 1.467 5.942 ( -0.211 -0.000 -0.165) 0.268 5.947 ( -0.209 -0.000 0.536) 0.575 5.955 ( -0.189 -0.000 0.031) 0.191 5.974 ( 0.659 0.000 -0.178) 0.682 6.020 ( -0.631 -0.000 1.311) 1.455 6.034 ( 0.319 0.000 -1.057) 1.104 6.203 ( -4.732 -0.000 7.390) 8.775 6.335 ( 2.908 0.000 -6.690) 7.295 6.584 ( -0.119 -0.000 -7.705) 7.706 6.601 ( 1.647 0.000 7.353) 7.535 6.830 ( -8.107 -0.000 -9.043) 12.145 6.897 ( -0.277 -0.000 -2.986) 2.999 6.912 ( 1.274 0.000 1.948) 2.328 6.982 ( 2.401 0.000 4.210) 4.847 ======================= Grid point 227 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -13.190 -7.997 1.168) 15.470 0.790 ( -7.847 -19.315 5.589) 21.584 0.981 ( -6.450 -9.067 7.083) 13.190 0.999 ( 3.441 -5.517 0.347) 6.512 1.078 ( -1.056 -13.529 -2.935) 13.884 1.196 ( 3.915 -6.534 -0.699) 7.649 1.212 ( 6.936 -11.886 -1.827) 13.882 1.281 ( 1.033 -11.523 3.782) 12.172 1.349 ( -2.067 -1.350 9.830) 10.135 1.395 ( 0.469 -1.576 1.509) 2.232 1.441 ( -0.726 -0.810 -3.822) 3.974 1.518 ( 5.522 -1.889 -5.384) 7.940 1.550 ( -5.533 -4.686 4.012) 8.287 1.708 ( -4.525 -10.371 2.628) 11.617 1.789 ( 1.696 -15.684 -1.589) 15.855 1.852 ( 2.525 -6.444 1.498) 7.081 1.892 ( 2.269 -8.325 -0.357) 8.636 2.006 ( 4.513 -4.926 -5.036) 8.367 2.054 ( 0.931 -1.301 -3.844) 4.164 2.078 ( -3.848 -2.906 4.260) 6.434 2.147 ( -3.932 -3.754 1.275) 5.584 2.248 ( 0.298 -2.665 0.663) 2.762 2.274 ( -3.303 -3.410 6.373) 7.947 2.381 ( 3.336 -3.527 -8.262) 9.583 2.567 ( -2.134 -3.776 -4.128) 5.987 2.582 ( -3.341 -5.067 0.933) 6.141 2.619 ( -1.255 -3.767 4.308) 5.858 2.676 ( -1.723 -1.500 0.697) 2.388 2.735 ( 4.995 -2.381 -7.149) 9.040 2.771 ( -0.558 -4.418 -2.408) 5.062 2.808 ( 0.821 -1.064 3.546) 3.793 2.866 ( 4.130 -3.880 -4.003) 6.938 3.094 ( -0.820 -1.298 2.019) 2.536 3.152 ( -1.115 2.092 3.499) 4.227 3.190 ( 2.741 0.662 -4.374) 5.205 3.237 ( 5.522 0.744 -5.315) 7.701 3.868 ( -2.172 0.231 2.167) 3.076 3.932 ( -0.423 -0.113 0.894) 0.995 3.966 ( 1.116 -0.661 -0.299) 1.331 3.998 ( 1.565 -0.225 0.231) 1.598 4.335 ( 0.712 0.247 0.916) 1.186 4.351 ( 0.747 -0.175 -0.034) 0.768 4.390 ( -2.745 0.939 -3.123) 4.262 4.478 ( -1.199 1.639 2.496) 3.218 4.547 ( -2.299 -2.148 4.507) 5.496 4.595 ( -3.088 -1.559 4.977) 6.061 4.621 ( 2.393 -1.151 -3.691) 4.547 4.705 ( 1.723 -1.663 -5.399) 5.907 4.786 ( 1.130 1.658 3.333) 3.891 4.828 ( 3.293 2.169 -0.340) 3.957 4.911 ( -2.481 1.574 5.234) 6.002 4.999 ( 3.140 0.809 -6.144) 6.947 5.207 ( -1.100 -14.085 0.066) 14.128 5.287 ( 1.683 -14.179 2.157) 14.441 5.294 ( -1.900 -14.434 0.813) 14.581 5.381 ( 2.699 -15.286 -2.011) 15.653 5.798 ( 0.402 5.413 0.166) 5.431 5.806 ( 0.783 5.347 -0.208) 5.408 5.880 ( -0.207 6.657 0.401) 6.672 5.881 ( -0.106 6.342 0.169) 6.345 5.904 ( 0.123 4.852 0.235) 4.860 5.928 ( 1.369 3.889 0.129) 4.125 5.983 ( -0.513 3.783 0.036) 3.818 5.996 ( 0.120 3.322 -0.120) 3.327 6.229 ( -3.990 -2.194 6.323) 7.792 6.333 ( 2.444 -0.197 -5.910) 6.399 6.579 ( 0.895 -1.710 -8.101) 8.328 6.618 ( 0.690 1.808 7.766) 8.003 6.702 ( -11.577 2.444 -5.267) 12.951 6.903 ( 0.757 -1.008 -1.167) 1.718 6.923 ( 0.246 -0.107 0.337) 0.431 7.015 ( 1.983 -1.010 3.055) 3.780 ======================= Grid point 228 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -5.682 -12.317 3.943) 14.126 0.993 ( -7.894 -7.601 10.974) 15.509 1.131 ( -0.000 -7.485 -2.765) 7.980 1.231 ( 3.814 -6.423 0.491) 7.486 1.291 ( -3.102 -11.172 0.931) 11.632 1.359 ( -0.256 -3.575 -4.658) 5.878 1.395 ( 0.599 -9.091 2.518) 9.452 1.462 ( 2.047 -7.390 0.038) 7.668 1.513 ( 1.881 -12.300 0.851) 12.472 1.524 ( -0.366 -9.636 0.402) 9.652 1.544 ( -1.760 -6.643 2.881) 7.451 1.606 ( 1.498 -9.473 -0.708) 9.617 1.688 ( -0.323 -11.250 1.237) 11.323 1.837 ( 1.149 -3.793 -4.095) 5.699 1.935 ( -0.465 -0.113 3.767) 3.797 2.018 ( 0.093 -5.310 2.791) 6.000 2.046 ( 1.781 -2.988 -0.411) 3.503 2.095 ( -2.704 -4.921 -3.260) 6.493 2.132 ( 0.030 -8.499 0.803) 8.537 2.236 ( -4.797 -10.321 1.820) 11.526 2.286 ( 0.695 -4.780 1.252) 4.990 2.321 ( -1.033 -4.861 -2.428) 5.531 2.367 ( 1.158 -9.747 1.327) 9.905 2.441 ( 2.416 -3.380 -7.017) 8.155 2.665 ( -1.783 -4.555 2.610) 5.545 2.685 ( -1.056 -10.594 -1.640) 10.772 2.740 ( 0.622 -9.354 -0.265) 9.379 2.772 ( -2.088 -9.372 2.393) 9.895 2.824 ( 2.911 -6.725 -4.892) 8.811 2.850 ( 2.362 -4.861 -0.013) 5.405 2.936 ( 0.562 -9.421 -0.636) 9.459 2.978 ( 1.605 -7.469 -1.830) 7.856 3.138 ( -0.270 -2.685 1.386) 3.034 3.174 ( 0.307 -6.819 -0.870) 6.881 3.206 ( 1.958 -3.325 -1.175) 4.034 3.253 ( 3.400 -2.460 -3.202) 5.278 3.867 ( -2.090 -0.564 2.425) 3.251 3.942 ( -0.639 -0.865 0.982) 1.456 3.980 ( 0.393 -0.860 -0.935) 1.330 4.021 ( 0.960 -1.212 0.144) 1.552 4.340 ( 0.500 0.259 0.040) 0.565 4.350 ( -0.093 0.429 -0.119) 0.454 4.368 ( -0.196 -0.576 -1.135) 1.288 4.445 ( -1.710 1.735 2.093) 3.211 4.577 ( -1.982 -0.993 3.556) 4.190 4.622 ( -1.988 -1.392 2.644) 3.589 4.638 ( 0.190 -0.680 -0.078) 0.710 4.718 ( 1.079 -0.619 -3.612) 3.820 4.761 ( 0.801 2.072 2.015) 2.999 4.804 ( 2.248 1.268 -1.495) 2.983 4.880 ( -2.439 2.033 4.845) 5.792 4.975 ( 3.699 1.634 -6.366) 7.542 5.557 ( 0.353 -18.037 -0.292) 18.043 5.577 ( -0.032 -8.584 1.565) 8.725 5.622 ( -1.653 -12.816 0.684) 12.940 5.646 ( -0.196 5.788 -0.483) 5.812 5.658 ( 0.187 -2.748 0.473) 2.795 5.682 ( 0.069 3.539 -0.804) 3.630 5.719 ( 0.045 5.571 0.258) 5.577 5.725 ( -0.061 8.067 0.065) 8.067 5.793 ( 0.623 5.122 0.167) 5.162 5.845 ( 0.357 5.707 -0.047) 5.718 5.928 ( 2.549 -2.030 0.092) 3.260 5.948 ( 1.920 -0.349 -0.112) 1.954 6.270 ( -2.565 -1.905 5.222) 6.121 6.330 ( 2.270 -0.113 -4.851) 5.357 6.558 ( -7.148 2.135 4.851) 8.899 6.605 ( 2.109 -1.786 -7.343) 7.846 6.672 ( -3.137 -2.228 0.979) 3.970 6.918 ( -0.714 -0.333 -1.103) 1.355 6.931 ( 0.712 -0.851 0.074) 1.112 7.050 ( 1.642 -0.559 1.312) 2.175 ======================= Grid point 236 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -12.606 -0.000 5.019) 13.569 0.454 ( -9.168 -0.000 7.489) 11.838 0.860 ( -3.472 -0.000 -4.275) 5.508 0.928 ( -5.305 -0.000 11.745) 12.888 1.003 ( 2.211 0.000 -4.887) 5.364 1.039 ( 2.879 0.000 2.189) 3.617 1.144 ( 2.716 0.000 3.551) 4.470 1.248 ( 8.236 0.000 -0.579) 8.256 1.360 ( -3.893 -0.000 5.758) 6.950 1.413 ( 3.192 0.000 8.880) 9.436 1.418 ( -2.346 -0.000 -5.915) 6.364 1.446 ( -3.680 -0.000 -0.407) 3.703 1.545 ( 7.342 0.000 -5.488) 9.166 1.577 ( -6.665 -0.000 3.141) 7.368 1.625 ( 0.169 0.000 2.779) 2.784 1.772 ( 0.185 0.000 3.062) 3.067 1.776 ( 1.608 0.000 -2.954) 3.363 2.000 ( 5.331 0.000 -7.819) 9.463 2.043 ( 3.017 0.000 -4.133) 5.117 2.053 ( -6.020 -0.000 4.868) 7.742 2.092 ( -3.340 -0.000 2.554) 4.205 2.219 ( 0.358 0.000 -1.486) 1.528 2.242 ( -3.172 -0.000 6.804) 7.507 2.336 ( 2.922 0.000 -6.635) 7.250 2.507 ( -4.247 -0.000 0.981) 4.359 2.510 ( -1.551 -0.000 -5.022) 5.256 2.590 ( -2.337 -0.000 5.026) 5.543 2.657 ( -1.609 -0.000 1.473) 2.182 2.715 ( 3.261 0.000 -4.805) 5.807 2.721 ( 1.542 0.000 -5.955) 6.152 2.815 ( -1.830 -0.000 5.100) 5.418 2.840 ( 6.402 0.000 -6.091) 8.837 3.091 ( -0.657 -0.000 3.065) 3.135 3.196 ( 3.501 0.000 -5.735) 6.720 3.197 ( -0.746 -0.000 5.035) 5.090 3.260 ( 6.104 0.000 -5.789) 8.413 3.868 ( -2.295 -0.000 2.510) 3.401 3.940 ( -0.290 -0.000 2.484) 2.500 3.957 ( 0.288 0.000 -1.294) 1.326 4.004 ( 1.151 0.000 -0.162) 1.163 4.344 ( 0.014 0.000 0.249) 0.250 4.355 ( 1.882 0.000 0.365) 1.917 4.378 ( -2.512 -0.000 -3.113) 4.000 4.493 ( -3.137 -0.000 2.884) 4.261 4.514 ( -3.615 -0.000 6.632) 7.553 4.580 ( -1.980 -0.000 4.486) 4.903 4.606 ( 3.518 0.000 -5.011) 6.123 4.673 ( 2.365 0.000 -5.742) 6.210 4.820 ( 1.343 0.000 4.130) 4.342 4.879 ( 4.377 0.000 0.674) 4.428 4.929 ( -2.919 -0.000 3.766) 4.765 5.008 ( 2.277 0.000 -5.362) 5.825 5.089 ( 0.982 0.000 -2.095) 2.313 5.134 ( -1.903 -0.000 0.210) 1.915 5.144 ( 3.334 0.000 3.120) 4.566 5.222 ( 1.348 0.000 1.103) 1.742 5.844 ( -0.617 -0.000 1.041) 1.210 5.858 ( 0.544 0.000 -1.243) 1.357 5.940 ( -0.087 -0.000 -0.067) 0.110 5.946 ( -0.472 -0.000 0.389) 0.612 5.956 ( 0.174 0.000 0.199) 0.264 5.979 ( 0.435 0.000 -0.290) 0.523 6.020 ( -0.749 -0.000 1.178) 1.396 6.032 ( 0.487 0.000 -0.976) 1.091 6.197 ( -4.930 -0.000 7.019) 8.577 6.325 ( 2.978 0.000 -6.255) 6.928 6.536 ( 0.586 0.000 -8.177) 8.198 6.640 ( -7.856 -0.000 -4.232) 8.923 6.683 ( -3.543 -0.000 3.445) 4.941 6.897 ( 2.046 0.000 -0.536) 2.115 6.926 ( -0.312 -0.000 0.587) 0.665 7.019 ( 0.501 0.000 2.578) 2.626 ======================= Grid point 237 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -2.346 -9.524 9.211) 13.456 0.761 ( -4.900 -21.561 6.669) 23.095 0.960 ( -6.694 -9.211 8.952) 14.484 1.011 ( 0.548 -3.375 -4.427) 5.593 1.038 ( -2.421 -14.440 -2.751) 14.898 1.225 ( 3.619 -12.008 -0.138) 12.542 1.283 ( 4.288 -7.345 -0.568) 8.524 1.309 ( 1.058 -5.498 1.857) 5.899 1.356 ( -2.748 -2.338 3.343) 4.919 1.389 ( -1.538 -2.032 -2.824) 3.804 1.438 ( 0.243 -2.572 2.767) 3.785 1.534 ( -1.062 -5.678 4.990) 7.633 1.551 ( 3.781 -0.618 -2.497) 4.573 1.678 ( -3.395 -9.743 1.380) 10.409 1.792 ( 1.219 -15.018 -1.108) 15.108 1.891 ( 2.128 -8.098 1.740) 8.552 1.905 ( 0.894 -10.679 -0.440) 10.726 1.989 ( -0.154 -1.526 -4.916) 5.149 2.044 ( -6.817 -2.054 4.159) 8.246 2.067 ( 5.316 -2.200 -5.933) 8.264 2.125 ( -3.330 -4.100 3.390) 6.276 2.252 ( 0.548 -3.316 -0.795) 3.454 2.283 ( -2.445 -3.443 5.821) 7.192 2.369 ( 4.583 -3.066 -8.386) 10.036 2.525 ( -0.858 -4.195 -3.469) 5.511 2.551 ( -3.679 -5.670 0.686) 6.794 2.628 ( -1.689 -3.710 3.842) 5.602 2.665 ( -1.382 -1.670 0.753) 2.295 2.742 ( 4.830 -2.684 -7.625) 9.416 2.752 ( -0.591 -4.465 -1.366) 4.707 2.833 ( -1.031 -2.061 4.470) 5.030 2.888 ( 5.370 -3.320 -4.576) 7.798 3.104 ( 0.260 -1.060 2.112) 2.378 3.161 ( -0.726 2.802 2.323) 3.712 3.197 ( 1.953 0.514 -1.814) 2.714 3.262 ( 5.643 1.027 -5.452) 7.913 3.862 ( -1.657 0.160 2.350) 2.880 3.938 ( -0.022 0.170 0.936) 0.952 3.963 ( -1.058 -0.634 -0.351) 1.283 4.013 ( 1.053 -0.315 0.131) 1.107 4.344 ( -0.600 0.049 -0.887) 1.072 4.350 ( -1.103 0.007 -1.088) 1.549 4.372 ( 3.151 0.424 1.011) 3.337 4.470 ( -3.034 1.293 2.329) 4.038 4.550 ( -3.021 -2.255 5.466) 6.640 4.594 ( -2.509 -1.037 3.846) 4.708 4.625 ( 2.971 -1.089 -3.743) 4.901 4.690 ( 1.981 -1.512 -5.454) 5.996 4.817 ( 0.342 2.184 3.680) 4.293 4.863 ( 3.236 3.425 0.231) 4.718 4.915 ( -2.562 1.272 4.544) 5.369 4.995 ( 3.555 0.496 -6.125) 7.099 5.202 ( -0.098 -14.225 0.474) 14.233 5.274 ( -2.365 -14.597 0.420) 14.793 5.319 ( 1.394 -12.795 2.245) 13.065 5.395 ( 2.807 -14.349 -2.705) 14.869 5.804 ( 0.719 5.377 -0.120) 5.426 5.813 ( 0.467 4.988 0.047) 5.010 5.881 ( -0.212 6.456 0.432) 6.474 5.882 ( 0.132 6.170 0.137) 6.173 5.909 ( 0.338 4.582 0.610) 4.635 5.946 ( 1.994 2.554 0.014) 3.240 5.976 ( -0.488 4.194 -0.553) 4.258 5.996 ( -0.245 2.910 -0.032) 2.920 6.224 ( -4.134 -2.535 5.739) 7.514 6.324 ( 2.714 -0.181 -5.520) 6.154 6.537 ( -6.324 -0.261 -4.176) 7.583 6.546 ( -5.994 -1.103 -4.717) 7.707 6.682 ( 2.722 1.539 5.948) 6.720 6.913 ( -0.406 0.269 -0.370) 0.612 6.922 ( 1.588 -0.631 0.051) 1.709 7.039 ( -0.163 -1.140 1.366) 1.787 ======================= Grid point 246 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 4.687 0.000 14.830) 15.553 0.441 ( -4.145 -0.000 10.604) 11.385 0.786 ( -2.984 -0.000 -7.998) 8.536 0.944 ( -7.465 -0.000 16.486) 18.097 0.968 ( -1.256 -0.000 -8.541) 8.633 1.101 ( 5.477 0.000 1.841) 5.778 1.173 ( -0.829 -0.000 1.842) 2.020 1.312 ( 2.400 0.000 -1.373) 2.765 1.342 ( -5.326 -0.000 4.580) 7.025 1.353 ( 1.048 0.000 -7.723) 7.794 1.417 ( -1.271 -0.000 1.200) 1.748 1.482 ( -1.019 -0.000 6.868) 6.944 1.533 ( -3.856 -0.000 0.891) 3.958 1.588 ( 6.043 0.000 -4.226) 7.374 1.659 ( 1.509 0.000 5.366) 5.574 1.775 ( 1.860 0.000 -2.927) 3.468 1.785 ( -1.125 -0.000 3.008) 3.212 1.976 ( 0.504 0.000 -7.316) 7.333 2.010 ( -7.592 -0.000 4.830) 8.998 2.062 ( 6.332 0.000 -6.894) 9.361 2.086 ( -2.918 -0.000 4.927) 5.726 2.212 ( 0.231 0.000 -1.753) 1.769 2.255 ( -1.342 -0.000 4.673) 4.862 2.330 ( 3.681 0.000 -6.110) 7.133 2.468 ( -4.024 -0.000 0.715) 4.087 2.476 ( 0.631 0.000 -3.978) 4.027 2.601 ( -1.134 -0.000 4.677) 4.812 2.648 ( -1.854 -0.000 1.400) 2.323 2.697 ( -0.530 -0.000 -2.416) 2.474 2.724 ( 5.564 0.000 -7.969) 9.719 2.818 ( -3.717 -0.000 5.245) 6.429 2.872 ( 6.852 0.000 -5.670) 8.894 3.110 ( 0.487 0.000 3.148) 3.185 3.201 ( 3.687 0.000 -5.032) 6.239 3.211 ( -2.613 -0.000 4.864) 5.521 3.288 ( 6.131 0.000 -5.785) 8.429 3.863 ( -1.753 -0.000 2.696) 3.216 3.936 ( -1.467 -0.000 -2.012) 2.490 3.955 ( -0.166 -0.000 3.060) 3.064 4.017 ( 1.086 0.000 -0.199) 1.104 4.334 ( -1.605 -0.000 -1.330) 2.084 4.342 ( -0.173 -0.000 -0.483) 0.513 4.402 ( 4.302 0.000 1.193) 4.464 4.471 ( -4.293 -0.000 2.695) 5.069 4.516 ( -4.096 -0.000 7.059) 8.161 4.583 ( -2.114 -0.000 3.183) 3.821 4.615 ( 4.018 0.000 -4.547) 6.068 4.663 ( 2.502 0.000 -5.693) 6.219 4.855 ( -0.459 -0.000 4.981) 5.002 4.925 ( 2.952 0.000 0.912) 3.090 4.925 ( -1.732 -0.000 3.252) 3.685 5.000 ( 2.528 0.000 -5.354) 5.921 5.088 ( 1.290 0.000 -2.011) 2.389 5.109 ( -2.343 -0.000 -0.598) 2.418 5.207 ( 5.512 0.000 1.246) 5.651 5.239 ( 0.113 0.000 1.474) 1.478 5.843 ( -0.715 -0.000 0.955) 1.193 5.857 ( 0.688 0.000 -1.053) 1.258 5.940 ( 0.053 0.000 0.010) 0.054 5.943 ( -0.361 -0.000 0.217) 0.421 5.960 ( 0.173 0.000 0.417) 0.452 5.979 ( 0.117 0.000 -0.435) 0.450 6.019 ( -0.739 -0.000 1.084) 1.312 6.033 ( 0.677 0.000 -0.829) 1.070 6.190 ( -4.477 -0.000 6.657) 8.022 6.319 ( 3.072 0.000 -5.889) 6.642 6.469 ( -15.119 -0.000 0.009) 15.119 6.499 ( 2.303 0.000 -8.202) 8.519 6.744 ( 4.430 0.000 4.765) 6.506 6.912 ( -2.007 -0.000 -1.085) 2.282 6.929 ( 3.435 0.000 1.218) 3.644 7.025 ( -1.359 -0.000 0.840) 1.597 =================== 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 3/29160 10.0 69.755 72.092 56.194 -0.000 2.577 0.000 3/29160 20.0 16.856 31.325 15.208 -0.000 -0.204 0.000 3/29160 30.0 8.407 18.967 7.733 -0.000 -0.271 0.000 3/29160 40.0 5.393 13.403 4.996 -0.000 -0.242 0.000 3/29160 50.0 3.921 10.336 3.647 -0.000 -0.211 0.000 3/29160 60.0 3.072 8.437 2.869 -0.000 -0.188 0.000 3/29160 70.0 2.529 7.156 2.371 -0.000 -0.170 0.000 3/29160 80.0 2.154 6.235 2.027 -0.000 -0.156 0.000 3/29160 90.0 1.880 5.538 1.776 -0.000 -0.145 0.000 3/29160 100.0 1.670 4.990 1.584 -0.000 -0.135 0.000 3/29160 110.0 1.505 4.546 1.432 -0.000 -0.127 0.000 3/29160 120.0 1.371 4.177 1.308 -0.000 -0.119 0.000 3/29160 130.0 1.260 3.866 1.205 -0.000 -0.113 0.000 3/29160 140.0 1.166 3.599 1.118 -0.000 -0.107 0.000 3/29160 150.0 1.086 3.367 1.043 -0.000 -0.101 0.000 3/29160 160.0 1.016 3.164 0.978 -0.000 -0.097 0.000 3/29160 170.0 0.955 2.985 0.921 -0.000 -0.092 0.000 3/29160 180.0 0.901 2.824 0.870 -0.000 -0.088 0.000 3/29160 190.0 0.853 2.681 0.825 -0.000 -0.084 0.000 3/29160 200.0 0.811 2.551 0.784 -0.000 -0.081 0.000 3/29160 210.0 0.772 2.433 0.748 -0.000 -0.078 0.000 3/29160 220.0 0.737 2.326 0.714 -0.000 -0.075 0.000 3/29160 230.0 0.705 2.228 0.684 -0.000 -0.072 0.000 3/29160 240.0 0.675 2.138 0.656 -0.000 -0.069 0.000 3/29160 250.0 0.648 2.054 0.630 -0.000 -0.067 0.000 3/29160 260.0 0.623 1.978 0.606 -0.000 -0.065 0.000 3/29160 270.0 0.600 1.906 0.584 -0.000 -0.063 0.000 3/29160 280.0 0.579 1.840 0.564 -0.000 -0.061 0.000 3/29160 290.0 0.559 1.778 0.545 -0.000 -0.059 0.000 3/29160 300.0 0.541 1.720 0.527 -0.000 -0.057 0.000 3/29160 310.0 0.523 1.666 0.511 -0.000 -0.056 0.000 3/29160 320.0 0.507 1.615 0.495 -0.000 -0.054 0.000 3/29160 330.0 0.492 1.567 0.480 -0.000 -0.053 0.000 3/29160 340.0 0.477 1.522 0.466 -0.000 -0.051 0.000 3/29160 350.0 0.464 1.479 0.453 -0.000 -0.050 0.000 3/29160 360.0 0.451 1.439 0.441 -0.000 -0.049 0.000 3/29160 370.0 0.439 1.401 0.429 -0.000 -0.047 0.000 3/29160 380.0 0.428 1.364 0.418 -0.000 -0.046 0.000 3/29160 390.0 0.417 1.330 0.408 -0.000 -0.045 0.000 3/29160 400.0 0.406 1.297 0.398 -0.000 -0.044 0.000 3/29160 410.0 0.396 1.266 0.388 -0.000 -0.043 0.000 3/29160 420.0 0.387 1.237 0.379 -0.000 -0.042 0.000 3/29160 430.0 0.378 1.208 0.371 -0.000 -0.041 0.000 3/29160 440.0 0.370 1.181 0.362 -0.000 -0.040 0.000 3/29160 450.0 0.362 1.155 0.354 -0.000 -0.040 0.000 3/29160 460.0 0.354 1.131 0.347 -0.000 -0.039 0.000 3/29160 470.0 0.346 1.107 0.340 -0.000 -0.038 0.000 3/29160 480.0 0.339 1.084 0.333 -0.000 -0.037 0.000 3/29160 490.0 0.332 1.062 0.326 -0.000 -0.037 0.000 3/29160 500.0 0.326 1.041 0.320 -0.000 -0.036 0.000 3/29160 510.0 0.319 1.021 0.313 -0.000 -0.035 0.000 3/29160 520.0 0.313 1.002 0.307 -0.000 -0.035 0.000 3/29160 530.0 0.307 0.983 0.302 -0.000 -0.034 0.000 3/29160 540.0 0.302 0.965 0.296 -0.000 -0.033 0.000 3/29160 550.0 0.296 0.948 0.291 -0.000 -0.033 0.000 3/29160 560.0 0.291 0.931 0.286 -0.000 -0.032 0.000 3/29160 570.0 0.286 0.915 0.281 -0.000 -0.032 0.000 3/29160 580.0 0.281 0.899 0.276 -0.000 -0.031 0.000 3/29160 590.0 0.276 0.884 0.271 -0.000 -0.031 0.000 3/29160 600.0 0.272 0.870 0.267 -0.000 -0.030 0.000 3/29160 610.0 0.267 0.856 0.263 -0.000 -0.030 0.000 3/29160 620.0 0.263 0.842 0.259 -0.000 -0.029 0.000 3/29160 630.0 0.259 0.829 0.254 -0.000 -0.029 0.000 3/29160 640.0 0.255 0.816 0.251 -0.000 -0.028 0.000 3/29160 650.0 0.251 0.804 0.247 -0.000 -0.028 0.000 3/29160 660.0 0.247 0.791 0.243 -0.000 -0.028 0.000 3/29160 670.0 0.244 0.780 0.240 -0.000 -0.027 0.000 3/29160 680.0 0.240 0.768 0.236 -0.000 -0.027 0.000 3/29160 690.0 0.237 0.757 0.233 -0.000 -0.026 0.000 3/29160 700.0 0.233 0.747 0.229 -0.000 -0.026 0.000 3/29160 710.0 0.230 0.736 0.226 -0.000 -0.026 0.000 3/29160 720.0 0.227 0.726 0.223 -0.000 -0.025 0.000 3/29160 730.0 0.224 0.716 0.220 -0.000 -0.025 0.000 3/29160 740.0 0.221 0.707 0.217 -0.000 -0.025 0.000 3/29160 750.0 0.218 0.697 0.214 -0.000 -0.024 0.000 3/29160 760.0 0.215 0.688 0.211 -0.000 -0.024 0.000 3/29160 770.0 0.212 0.679 0.209 -0.000 -0.024 0.000 3/29160 780.0 0.209 0.671 0.206 -0.000 -0.023 0.000 3/29160 790.0 0.207 0.662 0.204 -0.000 -0.023 0.000 3/29160 800.0 0.204 0.654 0.201 -0.000 -0.023 0.000 3/29160 810.0 0.202 0.646 0.199 -0.000 -0.023 0.000 3/29160 820.0 0.199 0.638 0.196 -0.000 -0.022 0.000 3/29160 830.0 0.197 0.631 0.194 -0.000 -0.022 0.000 3/29160 840.0 0.195 0.623 0.192 -0.000 -0.022 0.000 3/29160 850.0 0.192 0.616 0.189 -0.000 -0.022 0.000 3/29160 860.0 0.190 0.609 0.187 -0.000 -0.021 0.000 3/29160 870.0 0.188 0.602 0.185 -0.000 -0.021 0.000 3/29160 880.0 0.186 0.595 0.183 -0.000 -0.021 0.000 3/29160 890.0 0.184 0.588 0.181 -0.000 -0.021 0.000 3/29160 900.0 0.182 0.582 0.179 -0.000 -0.020 0.000 3/29160 910.0 0.180 0.576 0.177 -0.000 -0.020 0.000 3/29160 920.0 0.178 0.569 0.175 -0.000 -0.020 0.000 3/29160 930.0 0.176 0.563 0.173 -0.000 -0.020 0.000 3/29160 940.0 0.174 0.557 0.171 -0.000 -0.020 0.000 3/29160 950.0 0.172 0.551 0.170 -0.000 -0.019 0.000 3/29160 960.0 0.170 0.546 0.168 -0.000 -0.019 0.000 3/29160 970.0 0.169 0.540 0.166 -0.000 -0.019 0.000 3/29160 980.0 0.167 0.535 0.164 -0.000 -0.019 0.000 3/29160 990.0 0.165 0.529 0.163 -0.000 -0.019 0.000 3/29160 1000.0 0.164 0.524 0.161 -0.000 -0.018 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:45:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|