----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:47:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.719974931757774 0.000000000000000 0.000000000000000 b 0.000000000000000 3.911661100000000 0.000000000000000 c -1.723094504099003 0.000000000000000 17.303069492697105 Atomic positions (fractional): *1 Tl 0.12106116353723 0.25000000000000 0.71662958765790 204.383 2 Tl 0.87893883646277 0.75000000000000 0.28337041234210 204.383 *3 In 0.84335425700346 0.25000000000000 0.04438078321762 114.818 4 In 0.15664574299654 0.75000000000000 0.95561921678238 114.818 *5 In 0.73007175861820 0.25000000000000 0.81074380632576 114.818 6 In 0.26992824138180 0.75000000000000 0.18925619367424 114.818 *7 In 0.46812351116463 0.25000000000000 0.88471093221041 114.818 8 In 0.53187648883537 0.75000000000000 0.11528906778959 114.818 *9 In 0.38893192828031 0.25000000000000 0.38875230596134 114.818 10 In 0.61106807171969 0.75000000000000 0.61124769403866 114.818 *11 In 0.20104259993659 0.25000000000000 0.50886671314002 114.818 12 In 0.79895740006341 0.75000000000000 0.49113328685998 114.818 *13 S 0.70369171729090 0.25000000000000 0.16855655701877 32.065 14 S 0.29630828270910 0.75000000000000 0.83144344298123 32.065 *15 S 0.33982957731173 0.25000000000000 0.00860008407902 32.065 16 S 0.66017042268827 0.75000000000000 0.99139991592097 32.065 *17 S 0.18949405198805 0.25000000000000 0.26819219889604 32.065 18 S 0.81050594801195 0.75000000000000 0.73180780110396 32.065 *19 S 0.90867649223260 0.25000000000000 0.42363382745777 32.065 20 S 0.09132350776740 0.75000000000000 0.57636617254223 32.065 *21 S 0.96609088373956 0.25000000000000 0.91203881032606 32.065 22 S 0.03390911626044 0.75000000000000 0.08796118967394 32.065 *23 S 0.44362898078238 0.25000000000000 0.63454332811211 32.065 24 S 0.55637101921762 0.75000000000000 0.36545667188789 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.719974931757774 0.000000000000000 0.000000000000000 b 0.000000000000000 3.911661100000000 0.000000000000000 c -1.723094504099003 0.000000000000000 17.303069492697105 Atomic positions (fractional): *1 Tl 0.12106116353723 0.25000000000000 0.71662958765790 204.383 > 1 2 Tl 0.87893883646277 0.75000000000000 0.28337041234210 204.383 > 2 *3 In 0.84335425700346 0.25000000000000 0.04438078321762 114.818 > 3 4 In 0.15664574299654 0.75000000000000 0.95561921678238 114.818 > 4 *5 In 0.73007175861820 0.25000000000000 0.81074380632576 114.818 > 5 6 In 0.26992824138180 0.75000000000000 0.18925619367424 114.818 > 6 *7 In 0.46812351116463 0.25000000000000 0.88471093221041 114.818 > 7 8 In 0.53187648883537 0.75000000000000 0.11528906778959 114.818 > 8 *9 In 0.38893192828031 0.25000000000000 0.38875230596134 114.818 > 9 10 In 0.61106807171969 0.75000000000000 0.61124769403866 114.818 > 10 *11 In 0.20104259993659 0.25000000000000 0.50886671314002 114.818 > 11 12 In 0.79895740006341 0.75000000000000 0.49113328685998 114.818 > 12 *13 S 0.70369171729090 0.25000000000000 0.16855655701877 32.065 > 13 14 S 0.29630828270910 0.75000000000000 0.83144344298123 32.065 > 14 *15 S 0.33982957731173 0.25000000000000 0.00860008407902 32.065 > 15 16 S 0.66017042268827 0.75000000000000 0.99139991592097 32.065 > 16 *17 S 0.18949405198805 0.25000000000000 0.26819219889604 32.065 > 17 18 S 0.81050594801195 0.75000000000000 0.73180780110396 32.065 > 18 *19 S 0.90867649223260 0.25000000000000 0.42363382745777 32.065 > 19 20 S 0.09132350776740 0.75000000000000 0.57636617254223 32.065 > 20 *21 S 0.96609088373956 0.25000000000000 0.91203881032606 32.065 > 21 22 S 0.03390911626044 0.75000000000000 0.08796118967394 32.065 > 22 *23 S 0.44362898078238 0.25000000000000 0.63454332811211 32.065 > 23 24 S 0.55637101921762 0.75000000000000 0.36545667188789 32.065 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.439949863515547 0.000000000000000 0.000000000000000 b 0.000000000000000 11.734983300000000 0.000000000000000 c -1.723094504099003 0.000000000000000 17.303069492697105 Atomic positions (fractional): *1 Tl 0.06053058176862 0.08333333333333 0.71662958765790 204.383 > 1 2 Tl 0.56053058176862 0.08333333333333 0.71662958765790 204.383 > 1 3 Tl 0.06053058176862 0.41666666666667 0.71662958765790 204.383 > 1 4 Tl 0.56053058176862 0.41666666666667 0.71662958765790 204.383 > 1 5 Tl 0.06053058176862 0.75000000000000 0.71662958765790 204.383 > 1 6 Tl 0.56053058176862 0.75000000000000 0.71662958765790 204.383 > 1 7 Tl 0.43946941823138 0.25000000000000 0.28337041234210 204.383 > 2 8 Tl 0.93946941823138 0.25000000000000 0.28337041234210 204.383 > 2 9 Tl 0.43946941823138 0.58333333333333 0.28337041234210 204.383 > 2 10 Tl 0.93946941823138 0.58333333333333 0.28337041234210 204.383 > 2 11 Tl 0.43946941823138 0.91666666666667 0.28337041234210 204.383 > 2 12 Tl 0.93946941823138 0.91666666666667 0.28337041234210 204.383 > 2 *13 In 0.42167712850173 0.08333333333333 0.04438078321762 114.818 > 3 14 In 0.92167712850173 0.08333333333333 0.04438078321762 114.818 > 3 15 In 0.42167712850173 0.41666666666667 0.04438078321762 114.818 > 3 16 In 0.92167712850173 0.41666666666667 0.04438078321762 114.818 > 3 17 In 0.42167712850173 0.75000000000000 0.04438078321762 114.818 > 3 18 In 0.92167712850173 0.75000000000000 0.04438078321762 114.818 > 3 19 In 0.07832287149827 0.25000000000000 0.95561921678238 114.818 > 4 20 In 0.57832287149827 0.25000000000000 0.95561921678238 114.818 > 4 21 In 0.07832287149827 0.58333333333333 0.95561921678238 114.818 > 4 22 In 0.57832287149827 0.58333333333333 0.95561921678238 114.818 > 4 23 In 0.07832287149827 0.91666666666667 0.95561921678238 114.818 > 4 24 In 0.57832287149827 0.91666666666667 0.95561921678238 114.818 > 4 *25 In 0.36503587930910 0.08333333333333 0.81074380632576 114.818 > 5 26 In 0.86503587930910 0.08333333333333 0.81074380632576 114.818 > 5 27 In 0.36503587930910 0.41666666666667 0.81074380632576 114.818 > 5 28 In 0.86503587930910 0.41666666666667 0.81074380632576 114.818 > 5 29 In 0.36503587930910 0.75000000000000 0.81074380632576 114.818 > 5 30 In 0.86503587930910 0.75000000000000 0.81074380632576 114.818 > 5 31 In 0.13496412069090 0.25000000000000 0.18925619367424 114.818 > 6 32 In 0.63496412069090 0.25000000000000 0.18925619367424 114.818 > 6 33 In 0.13496412069090 0.58333333333333 0.18925619367424 114.818 > 6 34 In 0.63496412069090 0.58333333333333 0.18925619367424 114.818 > 6 35 In 0.13496412069090 0.91666666666667 0.18925619367424 114.818 > 6 36 In 0.63496412069090 0.91666666666667 0.18925619367424 114.818 > 6 *37 In 0.23406175558232 0.08333333333333 0.88471093221041 114.818 > 7 38 In 0.73406175558232 0.08333333333333 0.88471093221041 114.818 > 7 39 In 0.23406175558232 0.41666666666667 0.88471093221041 114.818 > 7 40 In 0.73406175558232 0.41666666666667 0.88471093221041 114.818 > 7 41 In 0.23406175558232 0.75000000000000 0.88471093221041 114.818 > 7 42 In 0.73406175558232 0.75000000000000 0.88471093221041 114.818 > 7 43 In 0.26593824441768 0.25000000000000 0.11528906778959 114.818 > 8 44 In 0.76593824441768 0.25000000000000 0.11528906778959 114.818 > 8 45 In 0.26593824441768 0.58333333333333 0.11528906778959 114.818 > 8 46 In 0.76593824441768 0.58333333333333 0.11528906778959 114.818 > 8 47 In 0.26593824441768 0.91666666666667 0.11528906778959 114.818 > 8 48 In 0.76593824441768 0.91666666666667 0.11528906778959 114.818 > 8 *49 In 0.19446596414015 0.08333333333333 0.38875230596134 114.818 > 9 50 In 0.69446596414015 0.08333333333333 0.38875230596134 114.818 > 9 51 In 0.19446596414015 0.41666666666667 0.38875230596134 114.818 > 9 52 In 0.69446596414015 0.41666666666667 0.38875230596134 114.818 > 9 53 In 0.19446596414015 0.75000000000000 0.38875230596134 114.818 > 9 54 In 0.69446596414015 0.75000000000000 0.38875230596134 114.818 > 9 55 In 0.30553403585985 0.25000000000000 0.61124769403866 114.818 > 10 56 In 0.80553403585985 0.25000000000000 0.61124769403866 114.818 > 10 57 In 0.30553403585985 0.58333333333333 0.61124769403866 114.818 > 10 58 In 0.80553403585985 0.58333333333333 0.61124769403866 114.818 > 10 59 In 0.30553403585985 0.91666666666667 0.61124769403866 114.818 > 10 60 In 0.80553403585985 0.91666666666667 0.61124769403866 114.818 > 10 *61 In 0.10052129996830 0.08333333333333 0.50886671314002 114.818 > 11 62 In 0.60052129996830 0.08333333333333 0.50886671314002 114.818 > 11 63 In 0.10052129996830 0.41666666666667 0.50886671314002 114.818 > 11 64 In 0.60052129996830 0.41666666666667 0.50886671314002 114.818 > 11 65 In 0.10052129996830 0.75000000000000 0.50886671314002 114.818 > 11 66 In 0.60052129996830 0.75000000000000 0.50886671314002 114.818 > 11 67 In 0.39947870003170 0.25000000000000 0.49113328685998 114.818 > 12 68 In 0.89947870003170 0.25000000000000 0.49113328685998 114.818 > 12 69 In 0.39947870003170 0.58333333333333 0.49113328685998 114.818 > 12 70 In 0.89947870003170 0.58333333333333 0.49113328685998 114.818 > 12 71 In 0.39947870003170 0.91666666666667 0.49113328685998 114.818 > 12 72 In 0.89947870003170 0.91666666666667 0.49113328685998 114.818 > 12 *73 S 0.35184585864545 0.08333333333333 0.16855655701877 32.065 > 13 74 S 0.85184585864545 0.08333333333333 0.16855655701877 32.065 > 13 75 S 0.35184585864545 0.41666666666667 0.16855655701877 32.065 > 13 76 S 0.85184585864545 0.41666666666667 0.16855655701877 32.065 > 13 77 S 0.35184585864545 0.75000000000000 0.16855655701877 32.065 > 13 78 S 0.85184585864545 0.75000000000000 0.16855655701877 32.065 > 13 79 S 0.14815414135455 0.25000000000000 0.83144344298123 32.065 > 14 80 S 0.64815414135455 0.25000000000000 0.83144344298123 32.065 > 14 81 S 0.14815414135455 0.58333333333333 0.83144344298123 32.065 > 14 82 S 0.64815414135455 0.58333333333333 0.83144344298123 32.065 > 14 83 S 0.14815414135455 0.91666666666667 0.83144344298123 32.065 > 14 84 S 0.64815414135455 0.91666666666667 0.83144344298123 32.065 > 14 *85 S 0.16991478865586 0.08333333333333 0.00860008407902 32.065 > 15 86 S 0.66991478865586 0.08333333333333 0.00860008407902 32.065 > 15 87 S 0.16991478865586 0.41666666666667 0.00860008407902 32.065 > 15 88 S 0.66991478865586 0.41666666666667 0.00860008407902 32.065 > 15 89 S 0.16991478865586 0.75000000000000 0.00860008407902 32.065 > 15 90 S 0.66991478865586 0.75000000000000 0.00860008407902 32.065 > 15 91 S 0.33008521134414 0.25000000000000 0.99139991592097 32.065 > 16 92 S 0.83008521134414 0.25000000000000 0.99139991592097 32.065 > 16 93 S 0.33008521134414 0.58333333333333 0.99139991592097 32.065 > 16 94 S 0.83008521134414 0.58333333333333 0.99139991592097 32.065 > 16 95 S 0.33008521134414 0.91666666666667 0.99139991592097 32.065 > 16 96 S 0.83008521134414 0.91666666666667 0.99139991592097 32.065 > 16 *97 S 0.09474702599402 0.08333333333333 0.26819219889604 32.065 > 17 98 S 0.59474702599402 0.08333333333333 0.26819219889604 32.065 > 17 99 S 0.09474702599402 0.41666666666667 0.26819219889604 32.065 > 17 100 S 0.59474702599402 0.41666666666667 0.26819219889604 32.065 > 17 101 S 0.09474702599402 0.75000000000000 0.26819219889604 32.065 > 17 102 S 0.59474702599402 0.75000000000000 0.26819219889604 32.065 > 17 103 S 0.40525297400598 0.25000000000000 0.73180780110396 32.065 > 18 104 S 0.90525297400598 0.25000000000000 0.73180780110396 32.065 > 18 105 S 0.40525297400598 0.58333333333333 0.73180780110396 32.065 > 18 106 S 0.90525297400598 0.58333333333333 0.73180780110396 32.065 > 18 107 S 0.40525297400598 0.91666666666667 0.73180780110396 32.065 > 18 108 S 0.90525297400598 0.91666666666667 0.73180780110396 32.065 > 18 *109 S 0.45433824611630 0.08333333333333 0.42363382745777 32.065 > 19 110 S 0.95433824611630 0.08333333333333 0.42363382745777 32.065 > 19 111 S 0.45433824611630 0.41666666666667 0.42363382745777 32.065 > 19 112 S 0.95433824611630 0.41666666666667 0.42363382745777 32.065 > 19 113 S 0.45433824611630 0.75000000000000 0.42363382745777 32.065 > 19 114 S 0.95433824611630 0.75000000000000 0.42363382745777 32.065 > 19 115 S 0.04566175388370 0.25000000000000 0.57636617254223 32.065 > 20 116 S 0.54566175388370 0.25000000000000 0.57636617254223 32.065 > 20 117 S 0.04566175388370 0.58333333333333 0.57636617254223 32.065 > 20 118 S 0.54566175388370 0.58333333333333 0.57636617254223 32.065 > 20 119 S 0.04566175388370 0.91666666666667 0.57636617254223 32.065 > 20 120 S 0.54566175388370 0.91666666666667 0.57636617254223 32.065 > 20 *121 S 0.48304544186978 0.08333333333333 0.91203881032606 32.065 > 21 122 S 0.98304544186978 0.08333333333333 0.91203881032606 32.065 > 21 123 S 0.48304544186978 0.41666666666667 0.91203881032606 32.065 > 21 124 S 0.98304544186978 0.41666666666667 0.91203881032606 32.065 > 21 125 S 0.48304544186978 0.75000000000000 0.91203881032606 32.065 > 21 126 S 0.98304544186978 0.75000000000000 0.91203881032606 32.065 > 21 127 S 0.01695455813022 0.25000000000000 0.08796118967394 32.065 > 22 128 S 0.51695455813022 0.25000000000000 0.08796118967394 32.065 > 22 129 S 0.01695455813022 0.58333333333333 0.08796118967394 32.065 > 22 130 S 0.51695455813022 0.58333333333333 0.08796118967394 32.065 > 22 131 S 0.01695455813022 0.91666666666667 0.08796118967394 32.065 > 22 132 S 0.51695455813022 0.91666666666667 0.08796118967394 32.065 > 22 *133 S 0.22181449039119 0.08333333333333 0.63454332811211 32.065 > 23 134 S 0.72181449039119 0.08333333333333 0.63454332811211 32.065 > 23 135 S 0.22181449039119 0.41666666666667 0.63454332811211 32.065 > 23 136 S 0.72181449039119 0.41666666666667 0.63454332811211 32.065 > 23 137 S 0.22181449039119 0.75000000000000 0.63454332811211 32.065 > 23 138 S 0.72181449039119 0.75000000000000 0.63454332811211 32.065 > 23 139 S 0.27818550960881 0.25000000000000 0.36545667188789 32.065 > 24 140 S 0.77818550960881 0.25000000000000 0.36545667188789 32.065 > 24 141 S 0.27818550960881 0.58333333333333 0.36545667188789 32.065 > 24 142 S 0.77818550960881 0.58333333333333 0.36545667188789 32.065 > 24 143 S 0.27818550960881 0.91666666666667 0.36545667188789 32.065 > 24 144 S 0.77818550960881 0.91666666666667 0.36545667188789 32.065 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5019040 0.0000000 -0.2490343 0.0000000 8.8398434 0.0000000 -0.2490396 0.0000000 9.3082208 -------------------------- Born effective charges -------------------------- 1 Tl 2.0034378 0.0000000 0.1170506 0.0000000 2.3482399 0.0000000 -0.0414414 0.0000000 2.6149937 2 Tl 2.0034378 0.0000000 0.1170506 0.0000000 2.3482399 0.0000000 -0.0414414 0.0000000 2.6149937 3 In 4.0053209 0.0000000 -0.4129207 0.0000000 4.1990914 0.0000000 -0.3008396 0.0000000 2.8626726 4 In 4.0053209 0.0000000 -0.4129207 0.0000000 4.1990914 0.0000000 -0.3008396 0.0000000 2.8626726 5 In 2.2567645 0.0000000 0.3702740 0.0000000 2.6407241 0.0000000 -0.0216098 0.0000000 2.9282270 6 In 2.2567645 0.0000000 0.3702740 0.0000000 2.6407241 0.0000000 -0.0216098 0.0000000 2.9282270 7 In 2.9629720 0.0000000 -0.0533334 0.0000000 3.5392282 0.0000000 0.3096976 0.0000000 2.4933796 8 In 2.9629720 0.0000000 -0.0533334 0.0000000 3.5392282 0.0000000 0.3096976 0.0000000 2.4933796 9 In 1.7318676 0.0000000 -0.1429084 0.0000000 2.5185532 0.0000000 0.6649041 0.0000000 2.4814055 10 In 1.7318676 0.0000000 -0.1429084 0.0000000 2.5185532 0.0000000 0.6649041 0.0000000 2.4814055 11 In 3.3835613 0.0000000 0.9782049 0.0000000 2.5697446 0.0000000 0.2447061 0.0000000 2.0394339 12 In 3.3835613 0.0000000 0.9782049 0.0000000 2.5697446 0.0000000 0.2447061 0.0000000 2.0394339 13 S -2.7975771 0.0000000 -0.0617055 0.0000000 -3.4412949 0.0000000 -0.4729984 0.0000000 -2.3310219 14 S -2.7975771 0.0000000 -0.0617055 0.0000000 -3.4412949 0.0000000 -0.4729984 0.0000000 -2.3310219 15 S -2.5026785 0.0000000 -0.0978277 0.0000000 -3.2067167 0.0000000 -0.2697427 0.0000000 -2.6338516 16 S -2.5026785 0.0000000 -0.0978277 0.0000000 -3.2067167 0.0000000 -0.2697427 0.0000000 -2.6338516 17 S -2.0762859 0.0000000 0.2376062 0.0000000 -3.0003572 0.0000000 -0.0068561 0.0000000 -3.2630037 18 S -2.0762859 0.0000000 0.2376062 0.0000000 -3.0003572 0.0000000 -0.0068561 0.0000000 -3.2630037 19 S -2.7906522 0.0000000 -0.2758197 0.0000000 -3.3761292 0.0000000 0.5238351 0.0000000 -2.4037080 20 S -2.7906522 0.0000000 -0.2758197 0.0000000 -3.3761292 0.0000000 0.5238351 0.0000000 -2.4037080 21 S -3.1510186 0.0000000 -0.5993753 0.0000000 -2.1576649 0.0000000 -0.5001344 0.0000000 -2.5412977 22 S -3.1510186 0.0000000 -0.5993753 0.0000000 -2.1576649 0.0000000 -0.5001344 0.0000000 -2.5412977 23 S -3.0257119 0.0000000 -0.0592449 0.0000000 -2.6334184 0.0000000 -0.1295206 0.0000000 -2.2472295 24 S -3.0257119 0.0000000 -0.0592449 0.0000000 -2.6334184 0.0000000 -0.1295206 0.0000000 -2.2472295 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4176 Number of blocks in projector: 4176 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. Tree of FC basis block matrices: - (4176, 4117), data: False |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 36), data: (1152, 59) @ (59, 36) |-- (152, 139), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.378 Solver_block: 200 / 720 - Time: 1.217 Solver_block: 300 / 720 - Time: 1.221 Solver_block: 400 / 720 - Time: 1.232 Solver_block: 500 / 720 - Time: 1.211 Solver_block: 600 / 720 - Time: 1.209 Solver_block: 700 / 720 - Time: 1.203 Solver_block: 720 / 720 - Time: 0.380 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.290 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4176 Number of blocks in projector: 4176 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. Tree of FC basis block matrices: - (4176, 4117), data: False |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 36), data: (1152, 59) @ (59, 36) |-- (152, 139), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 09:48:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:48:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.719974931757774 0.000000000000000 0.000000000000000 b 0.000000000000000 3.911661100000000 0.000000000000000 c -1.723094504099003 0.000000000000000 17.303069492697105 Atomic positions (fractional): 1 Tl 0.12106116353723 0.25000000000000 0.71662958765790 204.383 2 Tl 0.87893883646277 0.75000000000000 0.28337041234210 204.383 3 In 0.84335425700346 0.25000000000000 0.04438078321762 114.818 4 In 0.15664574299654 0.75000000000000 0.95561921678238 114.818 5 In 0.73007175861820 0.25000000000000 0.81074380632576 114.818 6 In 0.26992824138180 0.75000000000000 0.18925619367424 114.818 7 In 0.46812351116463 0.25000000000000 0.88471093221041 114.818 8 In 0.53187648883537 0.75000000000000 0.11528906778959 114.818 9 In 0.38893192828031 0.25000000000000 0.38875230596134 114.818 10 In 0.61106807171969 0.75000000000000 0.61124769403866 114.818 11 In 0.20104259993659 0.25000000000000 0.50886671314002 114.818 12 In 0.79895740006341 0.75000000000000 0.49113328685998 114.818 13 S 0.70369171729090 0.25000000000000 0.16855655701877 32.065 14 S 0.29630828270910 0.75000000000000 0.83144344298123 32.065 15 S 0.33982957731173 0.25000000000000 0.00860008407902 32.065 16 S 0.66017042268827 0.75000000000000 0.99139991592097 32.065 17 S 0.18949405198805 0.25000000000000 0.26819219889604 32.065 18 S 0.81050594801195 0.75000000000000 0.73180780110396 32.065 19 S 0.90867649223260 0.25000000000000 0.42363382745777 32.065 20 S 0.09132350776740 0.75000000000000 0.57636617254223 32.065 21 S 0.96609088373956 0.25000000000000 0.91203881032606 32.065 22 S 0.03390911626044 0.75000000000000 0.08796118967394 32.065 23 S 0.44362898078238 0.25000000000000 0.63454332811211 32.065 24 S 0.55637101921762 0.75000000000000 0.36545667188789 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.439949863515547 0.000000000000000 0.000000000000000 b 0.000000000000000 11.734983300000000 0.000000000000000 c -1.723094504099003 0.000000000000000 17.303069492697105 Atomic positions (fractional): 1 Tl 0.06053058176862 0.08333333333333 0.71662958765790 204.383 > 1 2 Tl 0.56053058176862 0.08333333333333 0.71662958765790 204.383 > 1 3 Tl 0.06053058176862 0.41666666666667 0.71662958765790 204.383 > 1 4 Tl 0.56053058176862 0.41666666666667 0.71662958765790 204.383 > 1 5 Tl 0.06053058176862 0.75000000000000 0.71662958765790 204.383 > 1 6 Tl 0.56053058176862 0.75000000000000 0.71662958765790 204.383 > 1 7 Tl 0.43946941823138 0.25000000000000 0.28337041234210 204.383 > 7 8 Tl 0.93946941823138 0.25000000000000 0.28337041234210 204.383 > 7 9 Tl 0.43946941823138 0.58333333333333 0.28337041234210 204.383 > 7 10 Tl 0.93946941823138 0.58333333333333 0.28337041234210 204.383 > 7 11 Tl 0.43946941823138 0.91666666666667 0.28337041234210 204.383 > 7 12 Tl 0.93946941823138 0.91666666666667 0.28337041234210 204.383 > 7 13 In 0.42167712850173 0.08333333333333 0.04438078321762 114.818 > 13 14 In 0.92167712850173 0.08333333333333 0.04438078321762 114.818 > 13 15 In 0.42167712850173 0.41666666666667 0.04438078321762 114.818 > 13 16 In 0.92167712850173 0.41666666666667 0.04438078321762 114.818 > 13 17 In 0.42167712850173 0.75000000000000 0.04438078321762 114.818 > 13 18 In 0.92167712850173 0.75000000000000 0.04438078321762 114.818 > 13 19 In 0.07832287149827 0.25000000000000 0.95561921678238 114.818 > 19 20 In 0.57832287149827 0.25000000000000 0.95561921678238 114.818 > 19 21 In 0.07832287149827 0.58333333333333 0.95561921678238 114.818 > 19 22 In 0.57832287149827 0.58333333333333 0.95561921678238 114.818 > 19 23 In 0.07832287149827 0.91666666666667 0.95561921678238 114.818 > 19 24 In 0.57832287149827 0.91666666666667 0.95561921678238 114.818 > 19 25 In 0.36503587930910 0.08333333333333 0.81074380632576 114.818 > 25 26 In 0.86503587930910 0.08333333333333 0.81074380632576 114.818 > 25 27 In 0.36503587930910 0.41666666666667 0.81074380632576 114.818 > 25 28 In 0.86503587930910 0.41666666666667 0.81074380632576 114.818 > 25 29 In 0.36503587930910 0.75000000000000 0.81074380632576 114.818 > 25 30 In 0.86503587930910 0.75000000000000 0.81074380632576 114.818 > 25 31 In 0.13496412069090 0.25000000000000 0.18925619367424 114.818 > 31 32 In 0.63496412069090 0.25000000000000 0.18925619367424 114.818 > 31 33 In 0.13496412069090 0.58333333333333 0.18925619367424 114.818 > 31 34 In 0.63496412069090 0.58333333333333 0.18925619367424 114.818 > 31 35 In 0.13496412069090 0.91666666666667 0.18925619367424 114.818 > 31 36 In 0.63496412069090 0.91666666666667 0.18925619367424 114.818 > 31 37 In 0.23406175558232 0.08333333333333 0.88471093221041 114.818 > 37 38 In 0.73406175558232 0.08333333333333 0.88471093221041 114.818 > 37 39 In 0.23406175558232 0.41666666666667 0.88471093221041 114.818 > 37 40 In 0.73406175558232 0.41666666666667 0.88471093221041 114.818 > 37 41 In 0.23406175558232 0.75000000000000 0.88471093221041 114.818 > 37 42 In 0.73406175558232 0.75000000000000 0.88471093221041 114.818 > 37 43 In 0.26593824441768 0.25000000000000 0.11528906778959 114.818 > 43 44 In 0.76593824441768 0.25000000000000 0.11528906778959 114.818 > 43 45 In 0.26593824441768 0.58333333333333 0.11528906778959 114.818 > 43 46 In 0.76593824441768 0.58333333333333 0.11528906778959 114.818 > 43 47 In 0.26593824441768 0.91666666666667 0.11528906778959 114.818 > 43 48 In 0.76593824441768 0.91666666666667 0.11528906778959 114.818 > 43 49 In 0.19446596414015 0.08333333333333 0.38875230596134 114.818 > 49 50 In 0.69446596414015 0.08333333333333 0.38875230596134 114.818 > 49 51 In 0.19446596414015 0.41666666666667 0.38875230596134 114.818 > 49 52 In 0.69446596414015 0.41666666666667 0.38875230596134 114.818 > 49 53 In 0.19446596414015 0.75000000000000 0.38875230596134 114.818 > 49 54 In 0.69446596414015 0.75000000000000 0.38875230596134 114.818 > 49 55 In 0.30553403585985 0.25000000000000 0.61124769403866 114.818 > 55 56 In 0.80553403585985 0.25000000000000 0.61124769403866 114.818 > 55 57 In 0.30553403585985 0.58333333333333 0.61124769403866 114.818 > 55 58 In 0.80553403585985 0.58333333333333 0.61124769403866 114.818 > 55 59 In 0.30553403585985 0.91666666666667 0.61124769403866 114.818 > 55 60 In 0.80553403585985 0.91666666666667 0.61124769403866 114.818 > 55 61 In 0.10052129996830 0.08333333333333 0.50886671314002 114.818 > 61 62 In 0.60052129996830 0.08333333333333 0.50886671314002 114.818 > 61 63 In 0.10052129996830 0.41666666666667 0.50886671314002 114.818 > 61 64 In 0.60052129996830 0.41666666666667 0.50886671314002 114.818 > 61 65 In 0.10052129996830 0.75000000000000 0.50886671314002 114.818 > 61 66 In 0.60052129996830 0.75000000000000 0.50886671314002 114.818 > 61 67 In 0.39947870003170 0.25000000000000 0.49113328685998 114.818 > 67 68 In 0.89947870003170 0.25000000000000 0.49113328685998 114.818 > 67 69 In 0.39947870003170 0.58333333333333 0.49113328685998 114.818 > 67 70 In 0.89947870003170 0.58333333333333 0.49113328685998 114.818 > 67 71 In 0.39947870003170 0.91666666666667 0.49113328685998 114.818 > 67 72 In 0.89947870003170 0.91666666666667 0.49113328685998 114.818 > 67 73 S 0.35184585864545 0.08333333333333 0.16855655701877 32.065 > 73 74 S 0.85184585864545 0.08333333333333 0.16855655701877 32.065 > 73 75 S 0.35184585864545 0.41666666666667 0.16855655701877 32.065 > 73 76 S 0.85184585864545 0.41666666666667 0.16855655701877 32.065 > 73 77 S 0.35184585864545 0.75000000000000 0.16855655701877 32.065 > 73 78 S 0.85184585864545 0.75000000000000 0.16855655701877 32.065 > 73 79 S 0.14815414135455 0.25000000000000 0.83144344298123 32.065 > 79 80 S 0.64815414135455 0.25000000000000 0.83144344298123 32.065 > 79 81 S 0.14815414135455 0.58333333333333 0.83144344298123 32.065 > 79 82 S 0.64815414135455 0.58333333333333 0.83144344298123 32.065 > 79 83 S 0.14815414135455 0.91666666666667 0.83144344298123 32.065 > 79 84 S 0.64815414135455 0.91666666666667 0.83144344298123 32.065 > 79 85 S 0.16991478865586 0.08333333333333 0.00860008407902 32.065 > 85 86 S 0.66991478865586 0.08333333333333 0.00860008407902 32.065 > 85 87 S 0.16991478865586 0.41666666666667 0.00860008407902 32.065 > 85 88 S 0.66991478865586 0.41666666666667 0.00860008407902 32.065 > 85 89 S 0.16991478865586 0.75000000000000 0.00860008407902 32.065 > 85 90 S 0.66991478865586 0.75000000000000 0.00860008407902 32.065 > 85 91 S 0.33008521134414 0.25000000000000 0.99139991592097 32.065 > 91 92 S 0.83008521134414 0.25000000000000 0.99139991592097 32.065 > 91 93 S 0.33008521134414 0.58333333333333 0.99139991592097 32.065 > 91 94 S 0.83008521134414 0.58333333333333 0.99139991592097 32.065 > 91 95 S 0.33008521134414 0.91666666666667 0.99139991592097 32.065 > 91 96 S 0.83008521134414 0.91666666666667 0.99139991592097 32.065 > 91 97 S 0.09474702599402 0.08333333333333 0.26819219889604 32.065 > 97 98 S 0.59474702599402 0.08333333333333 0.26819219889604 32.065 > 97 99 S 0.09474702599402 0.41666666666667 0.26819219889604 32.065 > 97 100 S 0.59474702599402 0.41666666666667 0.26819219889604 32.065 > 97 101 S 0.09474702599402 0.75000000000000 0.26819219889604 32.065 > 97 102 S 0.59474702599402 0.75000000000000 0.26819219889604 32.065 > 97 103 S 0.40525297400598 0.25000000000000 0.73180780110396 32.065 > 103 104 S 0.90525297400598 0.25000000000000 0.73180780110396 32.065 > 103 105 S 0.40525297400598 0.58333333333333 0.73180780110396 32.065 > 103 106 S 0.90525297400598 0.58333333333333 0.73180780110396 32.065 > 103 107 S 0.40525297400598 0.91666666666667 0.73180780110396 32.065 > 103 108 S 0.90525297400598 0.91666666666667 0.73180780110396 32.065 > 103 109 S 0.45433824611630 0.08333333333333 0.42363382745777 32.065 > 109 110 S 0.95433824611630 0.08333333333333 0.42363382745777 32.065 > 109 111 S 0.45433824611630 0.41666666666667 0.42363382745777 32.065 > 109 112 S 0.95433824611630 0.41666666666667 0.42363382745777 32.065 > 109 113 S 0.45433824611630 0.75000000000000 0.42363382745777 32.065 > 109 114 S 0.95433824611630 0.75000000000000 0.42363382745777 32.065 > 109 115 S 0.04566175388370 0.25000000000000 0.57636617254223 32.065 > 115 116 S 0.54566175388370 0.25000000000000 0.57636617254223 32.065 > 115 117 S 0.04566175388370 0.58333333333333 0.57636617254223 32.065 > 115 118 S 0.54566175388370 0.58333333333333 0.57636617254223 32.065 > 115 119 S 0.04566175388370 0.91666666666667 0.57636617254223 32.065 > 115 120 S 0.54566175388370 0.91666666666667 0.57636617254223 32.065 > 115 121 S 0.48304544186978 0.08333333333333 0.91203881032606 32.065 > 121 122 S 0.98304544186978 0.08333333333333 0.91203881032606 32.065 > 121 123 S 0.48304544186978 0.41666666666667 0.91203881032606 32.065 > 121 124 S 0.98304544186978 0.41666666666667 0.91203881032606 32.065 > 121 125 S 0.48304544186978 0.75000000000000 0.91203881032606 32.065 > 121 126 S 0.98304544186978 0.75000000000000 0.91203881032606 32.065 > 121 127 S 0.01695455813022 0.25000000000000 0.08796118967394 32.065 > 127 128 S 0.51695455813022 0.25000000000000 0.08796118967394 32.065 > 127 129 S 0.01695455813022 0.58333333333333 0.08796118967394 32.065 > 127 130 S 0.51695455813022 0.58333333333333 0.08796118967394 32.065 > 127 131 S 0.01695455813022 0.91666666666667 0.08796118967394 32.065 > 127 132 S 0.51695455813022 0.91666666666667 0.08796118967394 32.065 > 127 133 S 0.22181449039119 0.08333333333333 0.63454332811211 32.065 > 133 134 S 0.72181449039119 0.08333333333333 0.63454332811211 32.065 > 133 135 S 0.22181449039119 0.41666666666667 0.63454332811211 32.065 > 133 136 S 0.72181449039119 0.41666666666667 0.63454332811211 32.065 > 133 137 S 0.22181449039119 0.75000000000000 0.63454332811211 32.065 > 133 138 S 0.72181449039119 0.75000000000000 0.63454332811211 32.065 > 133 139 S 0.27818550960881 0.25000000000000 0.36545667188789 32.065 > 139 140 S 0.77818550960881 0.25000000000000 0.36545667188789 32.065 > 139 141 S 0.27818550960881 0.58333333333333 0.36545667188789 32.065 > 139 142 S 0.77818550960881 0.58333333333333 0.36545667188789 32.065 > 139 143 S 0.27818550960881 0.91666666666667 0.36545667188789 32.065 > 139 144 S 0.77818550960881 0.91666666666667 0.36545667188789 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5019040 0.0000000 -0.2490343 0.0000000 8.8398434 0.0000000 -0.2490396 0.0000000 9.3082208 -------------------------- Born effective charges -------------------------- 1 Tl 2.0034378 0.0000000 0.1170506 0.0000000 2.3482399 0.0000000 -0.0414414 0.0000000 2.6149937 2 Tl 2.0034378 0.0000000 0.1170506 0.0000000 2.3482399 0.0000000 -0.0414414 0.0000000 2.6149937 3 In 4.0053209 0.0000000 -0.4129207 0.0000000 4.1990914 0.0000000 -0.3008396 0.0000000 2.8626726 4 In 4.0053209 0.0000000 -0.4129207 0.0000000 4.1990914 0.0000000 -0.3008396 0.0000000 2.8626726 5 In 2.2567645 0.0000000 0.3702740 0.0000000 2.6407241 0.0000000 -0.0216098 0.0000000 2.9282270 6 In 2.2567645 0.0000000 0.3702740 0.0000000 2.6407241 0.0000000 -0.0216098 0.0000000 2.9282270 7 In 2.9629720 0.0000000 -0.0533334 0.0000000 3.5392282 0.0000000 0.3096976 0.0000000 2.4933796 8 In 2.9629720 0.0000000 -0.0533334 0.0000000 3.5392282 0.0000000 0.3096976 0.0000000 2.4933796 9 In 1.7318676 0.0000000 -0.1429084 0.0000000 2.5185532 0.0000000 0.6649041 0.0000000 2.4814055 10 In 1.7318676 0.0000000 -0.1429084 0.0000000 2.5185532 0.0000000 0.6649041 0.0000000 2.4814055 11 In 3.3835613 0.0000000 0.9782049 0.0000000 2.5697446 0.0000000 0.2447061 0.0000000 2.0394339 12 In 3.3835613 0.0000000 0.9782049 0.0000000 2.5697446 0.0000000 0.2447061 0.0000000 2.0394339 13 S -2.7975771 0.0000000 -0.0617055 0.0000000 -3.4412949 0.0000000 -0.4729984 0.0000000 -2.3310219 14 S -2.7975771 0.0000000 -0.0617055 0.0000000 -3.4412949 0.0000000 -0.4729984 0.0000000 -2.3310219 15 S -2.5026785 0.0000000 -0.0978277 0.0000000 -3.2067167 0.0000000 -0.2697427 0.0000000 -2.6338516 16 S -2.5026785 0.0000000 -0.0978277 0.0000000 -3.2067167 0.0000000 -0.2697427 0.0000000 -2.6338516 17 S -2.0762859 0.0000000 0.2376062 0.0000000 -3.0003572 0.0000000 -0.0068561 0.0000000 -3.2630037 18 S -2.0762859 0.0000000 0.2376062 0.0000000 -3.0003572 0.0000000 -0.0068561 0.0000000 -3.2630037 19 S -2.7906522 0.0000000 -0.2758197 0.0000000 -3.3761292 0.0000000 0.5238351 0.0000000 -2.4037080 20 S -2.7906522 0.0000000 -0.2758197 0.0000000 -3.3761292 0.0000000 0.5238351 0.0000000 -2.4037080 21 S -3.1510186 0.0000000 -0.5993753 0.0000000 -2.1576649 0.0000000 -0.5001344 0.0000000 -2.5412977 22 S -3.1510186 0.0000000 -0.5993753 0.0000000 -2.1576649 0.0000000 -0.5001344 0.0000000 -2.5412977 23 S -3.0257119 0.0000000 -0.0592449 0.0000000 -2.6334184 0.0000000 -0.1295206 0.0000000 -2.2472295 24 S -3.0257119 0.0000000 -0.0592449 0.0000000 -2.6334184 0.0000000 -0.1295206 0.0000000 -2.2472295 ---------------------------------------------------------------------------- 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 109, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 133, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:49:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:49:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.719974931757774 0.000000000000000 0.000000000000000 b 0.000000000000000 3.911661100000000 0.000000000000000 c -1.723094504099003 0.000000000000000 17.303069492697105 Atomic positions (fractional): 1 Tl 0.12106116353723 0.25000000000000 0.71662958765790 204.383 2 Tl 0.87893883646277 0.75000000000000 0.28337041234210 204.383 3 In 0.84335425700346 0.25000000000000 0.04438078321762 114.818 4 In 0.15664574299654 0.75000000000000 0.95561921678238 114.818 5 In 0.73007175861820 0.25000000000000 0.81074380632576 114.818 6 In 0.26992824138180 0.75000000000000 0.18925619367424 114.818 7 In 0.46812351116463 0.25000000000000 0.88471093221041 114.818 8 In 0.53187648883537 0.75000000000000 0.11528906778959 114.818 9 In 0.38893192828031 0.25000000000000 0.38875230596134 114.818 10 In 0.61106807171969 0.75000000000000 0.61124769403866 114.818 11 In 0.20104259993659 0.25000000000000 0.50886671314002 114.818 12 In 0.79895740006341 0.75000000000000 0.49113328685998 114.818 13 S 0.70369171729090 0.25000000000000 0.16855655701877 32.065 14 S 0.29630828270910 0.75000000000000 0.83144344298123 32.065 15 S 0.33982957731173 0.25000000000000 0.00860008407902 32.065 16 S 0.66017042268827 0.75000000000000 0.99139991592097 32.065 17 S 0.18949405198805 0.25000000000000 0.26819219889604 32.065 18 S 0.81050594801195 0.75000000000000 0.73180780110396 32.065 19 S 0.90867649223260 0.25000000000000 0.42363382745777 32.065 20 S 0.09132350776740 0.75000000000000 0.57636617254223 32.065 21 S 0.96609088373956 0.25000000000000 0.91203881032606 32.065 22 S 0.03390911626044 0.75000000000000 0.08796118967394 32.065 23 S 0.44362898078238 0.25000000000000 0.63454332811211 32.065 24 S 0.55637101921762 0.75000000000000 0.36545667188789 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.439949863515547 0.000000000000000 0.000000000000000 b 0.000000000000000 11.734983300000000 0.000000000000000 c -1.723094504099003 0.000000000000000 17.303069492697105 Atomic positions (fractional): 1 Tl 0.06053058176862 0.08333333333333 0.71662958765790 204.383 > 1 2 Tl 0.56053058176862 0.08333333333333 0.71662958765790 204.383 > 1 3 Tl 0.06053058176862 0.41666666666667 0.71662958765790 204.383 > 1 4 Tl 0.56053058176862 0.41666666666667 0.71662958765790 204.383 > 1 5 Tl 0.06053058176862 0.75000000000000 0.71662958765790 204.383 > 1 6 Tl 0.56053058176862 0.75000000000000 0.71662958765790 204.383 > 1 7 Tl 0.43946941823138 0.25000000000000 0.28337041234210 204.383 > 7 8 Tl 0.93946941823138 0.25000000000000 0.28337041234210 204.383 > 7 9 Tl 0.43946941823138 0.58333333333333 0.28337041234210 204.383 > 7 10 Tl 0.93946941823138 0.58333333333333 0.28337041234210 204.383 > 7 11 Tl 0.43946941823138 0.91666666666667 0.28337041234210 204.383 > 7 12 Tl 0.93946941823138 0.91666666666667 0.28337041234210 204.383 > 7 13 In 0.42167712850173 0.08333333333333 0.04438078321762 114.818 > 13 14 In 0.92167712850173 0.08333333333333 0.04438078321762 114.818 > 13 15 In 0.42167712850173 0.41666666666667 0.04438078321762 114.818 > 13 16 In 0.92167712850173 0.41666666666667 0.04438078321762 114.818 > 13 17 In 0.42167712850173 0.75000000000000 0.04438078321762 114.818 > 13 18 In 0.92167712850173 0.75000000000000 0.04438078321762 114.818 > 13 19 In 0.07832287149827 0.25000000000000 0.95561921678238 114.818 > 19 20 In 0.57832287149827 0.25000000000000 0.95561921678238 114.818 > 19 21 In 0.07832287149827 0.58333333333333 0.95561921678238 114.818 > 19 22 In 0.57832287149827 0.58333333333333 0.95561921678238 114.818 > 19 23 In 0.07832287149827 0.91666666666667 0.95561921678238 114.818 > 19 24 In 0.57832287149827 0.91666666666667 0.95561921678238 114.818 > 19 25 In 0.36503587930910 0.08333333333333 0.81074380632576 114.818 > 25 26 In 0.86503587930910 0.08333333333333 0.81074380632576 114.818 > 25 27 In 0.36503587930910 0.41666666666667 0.81074380632576 114.818 > 25 28 In 0.86503587930910 0.41666666666667 0.81074380632576 114.818 > 25 29 In 0.36503587930910 0.75000000000000 0.81074380632576 114.818 > 25 30 In 0.86503587930910 0.75000000000000 0.81074380632576 114.818 > 25 31 In 0.13496412069090 0.25000000000000 0.18925619367424 114.818 > 31 32 In 0.63496412069090 0.25000000000000 0.18925619367424 114.818 > 31 33 In 0.13496412069090 0.58333333333333 0.18925619367424 114.818 > 31 34 In 0.63496412069090 0.58333333333333 0.18925619367424 114.818 > 31 35 In 0.13496412069090 0.91666666666667 0.18925619367424 114.818 > 31 36 In 0.63496412069090 0.91666666666667 0.18925619367424 114.818 > 31 37 In 0.23406175558232 0.08333333333333 0.88471093221041 114.818 > 37 38 In 0.73406175558232 0.08333333333333 0.88471093221041 114.818 > 37 39 In 0.23406175558232 0.41666666666667 0.88471093221041 114.818 > 37 40 In 0.73406175558232 0.41666666666667 0.88471093221041 114.818 > 37 41 In 0.23406175558232 0.75000000000000 0.88471093221041 114.818 > 37 42 In 0.73406175558232 0.75000000000000 0.88471093221041 114.818 > 37 43 In 0.26593824441768 0.25000000000000 0.11528906778959 114.818 > 43 44 In 0.76593824441768 0.25000000000000 0.11528906778959 114.818 > 43 45 In 0.26593824441768 0.58333333333333 0.11528906778959 114.818 > 43 46 In 0.76593824441768 0.58333333333333 0.11528906778959 114.818 > 43 47 In 0.26593824441768 0.91666666666667 0.11528906778959 114.818 > 43 48 In 0.76593824441768 0.91666666666667 0.11528906778959 114.818 > 43 49 In 0.19446596414015 0.08333333333333 0.38875230596134 114.818 > 49 50 In 0.69446596414015 0.08333333333333 0.38875230596134 114.818 > 49 51 In 0.19446596414015 0.41666666666667 0.38875230596134 114.818 > 49 52 In 0.69446596414015 0.41666666666667 0.38875230596134 114.818 > 49 53 In 0.19446596414015 0.75000000000000 0.38875230596134 114.818 > 49 54 In 0.69446596414015 0.75000000000000 0.38875230596134 114.818 > 49 55 In 0.30553403585985 0.25000000000000 0.61124769403866 114.818 > 55 56 In 0.80553403585985 0.25000000000000 0.61124769403866 114.818 > 55 57 In 0.30553403585985 0.58333333333333 0.61124769403866 114.818 > 55 58 In 0.80553403585985 0.58333333333333 0.61124769403866 114.818 > 55 59 In 0.30553403585985 0.91666666666667 0.61124769403866 114.818 > 55 60 In 0.80553403585985 0.91666666666667 0.61124769403866 114.818 > 55 61 In 0.10052129996830 0.08333333333333 0.50886671314002 114.818 > 61 62 In 0.60052129996830 0.08333333333333 0.50886671314002 114.818 > 61 63 In 0.10052129996830 0.41666666666667 0.50886671314002 114.818 > 61 64 In 0.60052129996830 0.41666666666667 0.50886671314002 114.818 > 61 65 In 0.10052129996830 0.75000000000000 0.50886671314002 114.818 > 61 66 In 0.60052129996830 0.75000000000000 0.50886671314002 114.818 > 61 67 In 0.39947870003170 0.25000000000000 0.49113328685998 114.818 > 67 68 In 0.89947870003170 0.25000000000000 0.49113328685998 114.818 > 67 69 In 0.39947870003170 0.58333333333333 0.49113328685998 114.818 > 67 70 In 0.89947870003170 0.58333333333333 0.49113328685998 114.818 > 67 71 In 0.39947870003170 0.91666666666667 0.49113328685998 114.818 > 67 72 In 0.89947870003170 0.91666666666667 0.49113328685998 114.818 > 67 73 S 0.35184585864545 0.08333333333333 0.16855655701877 32.065 > 73 74 S 0.85184585864545 0.08333333333333 0.16855655701877 32.065 > 73 75 S 0.35184585864545 0.41666666666667 0.16855655701877 32.065 > 73 76 S 0.85184585864545 0.41666666666667 0.16855655701877 32.065 > 73 77 S 0.35184585864545 0.75000000000000 0.16855655701877 32.065 > 73 78 S 0.85184585864545 0.75000000000000 0.16855655701877 32.065 > 73 79 S 0.14815414135455 0.25000000000000 0.83144344298123 32.065 > 79 80 S 0.64815414135455 0.25000000000000 0.83144344298123 32.065 > 79 81 S 0.14815414135455 0.58333333333333 0.83144344298123 32.065 > 79 82 S 0.64815414135455 0.58333333333333 0.83144344298123 32.065 > 79 83 S 0.14815414135455 0.91666666666667 0.83144344298123 32.065 > 79 84 S 0.64815414135455 0.91666666666667 0.83144344298123 32.065 > 79 85 S 0.16991478865586 0.08333333333333 0.00860008407902 32.065 > 85 86 S 0.66991478865586 0.08333333333333 0.00860008407902 32.065 > 85 87 S 0.16991478865586 0.41666666666667 0.00860008407902 32.065 > 85 88 S 0.66991478865586 0.41666666666667 0.00860008407902 32.065 > 85 89 S 0.16991478865586 0.75000000000000 0.00860008407902 32.065 > 85 90 S 0.66991478865586 0.75000000000000 0.00860008407902 32.065 > 85 91 S 0.33008521134414 0.25000000000000 0.99139991592097 32.065 > 91 92 S 0.83008521134414 0.25000000000000 0.99139991592097 32.065 > 91 93 S 0.33008521134414 0.58333333333333 0.99139991592097 32.065 > 91 94 S 0.83008521134414 0.58333333333333 0.99139991592097 32.065 > 91 95 S 0.33008521134414 0.91666666666667 0.99139991592097 32.065 > 91 96 S 0.83008521134414 0.91666666666667 0.99139991592097 32.065 > 91 97 S 0.09474702599402 0.08333333333333 0.26819219889604 32.065 > 97 98 S 0.59474702599402 0.08333333333333 0.26819219889604 32.065 > 97 99 S 0.09474702599402 0.41666666666667 0.26819219889604 32.065 > 97 100 S 0.59474702599402 0.41666666666667 0.26819219889604 32.065 > 97 101 S 0.09474702599402 0.75000000000000 0.26819219889604 32.065 > 97 102 S 0.59474702599402 0.75000000000000 0.26819219889604 32.065 > 97 103 S 0.40525297400598 0.25000000000000 0.73180780110396 32.065 > 103 104 S 0.90525297400598 0.25000000000000 0.73180780110396 32.065 > 103 105 S 0.40525297400598 0.58333333333333 0.73180780110396 32.065 > 103 106 S 0.90525297400598 0.58333333333333 0.73180780110396 32.065 > 103 107 S 0.40525297400598 0.91666666666667 0.73180780110396 32.065 > 103 108 S 0.90525297400598 0.91666666666667 0.73180780110396 32.065 > 103 109 S 0.45433824611630 0.08333333333333 0.42363382745777 32.065 > 109 110 S 0.95433824611630 0.08333333333333 0.42363382745777 32.065 > 109 111 S 0.45433824611630 0.41666666666667 0.42363382745777 32.065 > 109 112 S 0.95433824611630 0.41666666666667 0.42363382745777 32.065 > 109 113 S 0.45433824611630 0.75000000000000 0.42363382745777 32.065 > 109 114 S 0.95433824611630 0.75000000000000 0.42363382745777 32.065 > 109 115 S 0.04566175388370 0.25000000000000 0.57636617254223 32.065 > 115 116 S 0.54566175388370 0.25000000000000 0.57636617254223 32.065 > 115 117 S 0.04566175388370 0.58333333333333 0.57636617254223 32.065 > 115 118 S 0.54566175388370 0.58333333333333 0.57636617254223 32.065 > 115 119 S 0.04566175388370 0.91666666666667 0.57636617254223 32.065 > 115 120 S 0.54566175388370 0.91666666666667 0.57636617254223 32.065 > 115 121 S 0.48304544186978 0.08333333333333 0.91203881032606 32.065 > 121 122 S 0.98304544186978 0.08333333333333 0.91203881032606 32.065 > 121 123 S 0.48304544186978 0.41666666666667 0.91203881032606 32.065 > 121 124 S 0.98304544186978 0.41666666666667 0.91203881032606 32.065 > 121 125 S 0.48304544186978 0.75000000000000 0.91203881032606 32.065 > 121 126 S 0.98304544186978 0.75000000000000 0.91203881032606 32.065 > 121 127 S 0.01695455813022 0.25000000000000 0.08796118967394 32.065 > 127 128 S 0.51695455813022 0.25000000000000 0.08796118967394 32.065 > 127 129 S 0.01695455813022 0.58333333333333 0.08796118967394 32.065 > 127 130 S 0.51695455813022 0.58333333333333 0.08796118967394 32.065 > 127 131 S 0.01695455813022 0.91666666666667 0.08796118967394 32.065 > 127 132 S 0.51695455813022 0.91666666666667 0.08796118967394 32.065 > 127 133 S 0.22181449039119 0.08333333333333 0.63454332811211 32.065 > 133 134 S 0.72181449039119 0.08333333333333 0.63454332811211 32.065 > 133 135 S 0.22181449039119 0.41666666666667 0.63454332811211 32.065 > 133 136 S 0.72181449039119 0.41666666666667 0.63454332811211 32.065 > 133 137 S 0.22181449039119 0.75000000000000 0.63454332811211 32.065 > 133 138 S 0.72181449039119 0.75000000000000 0.63454332811211 32.065 > 133 139 S 0.27818550960881 0.25000000000000 0.36545667188789 32.065 > 139 140 S 0.77818550960881 0.25000000000000 0.36545667188789 32.065 > 139 141 S 0.27818550960881 0.58333333333333 0.36545667188789 32.065 > 139 142 S 0.77818550960881 0.58333333333333 0.36545667188789 32.065 > 139 143 S 0.27818550960881 0.91666666666667 0.36545667188789 32.065 > 139 144 S 0.77818550960881 0.91666666666667 0.36545667188789 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.5019040 0.0000000 -0.2490343 0.0000000 8.8398434 0.0000000 -0.2490396 0.0000000 9.3082208 -------------------------- Born effective charges -------------------------- 1 Tl 2.0034378 0.0000000 0.1170506 0.0000000 2.3482399 0.0000000 -0.0414414 0.0000000 2.6149937 2 Tl 2.0034378 0.0000000 0.1170506 0.0000000 2.3482399 0.0000000 -0.0414414 0.0000000 2.6149937 3 In 4.0053209 0.0000000 -0.4129207 0.0000000 4.1990914 0.0000000 -0.3008396 0.0000000 2.8626726 4 In 4.0053209 0.0000000 -0.4129207 0.0000000 4.1990914 0.0000000 -0.3008396 0.0000000 2.8626726 5 In 2.2567645 0.0000000 0.3702740 0.0000000 2.6407241 0.0000000 -0.0216098 0.0000000 2.9282270 6 In 2.2567645 0.0000000 0.3702740 0.0000000 2.6407241 0.0000000 -0.0216098 0.0000000 2.9282270 7 In 2.9629720 0.0000000 -0.0533334 0.0000000 3.5392282 0.0000000 0.3096976 0.0000000 2.4933796 8 In 2.9629720 0.0000000 -0.0533334 0.0000000 3.5392282 0.0000000 0.3096976 0.0000000 2.4933796 9 In 1.7318676 0.0000000 -0.1429084 0.0000000 2.5185532 0.0000000 0.6649041 0.0000000 2.4814055 10 In 1.7318676 0.0000000 -0.1429084 0.0000000 2.5185532 0.0000000 0.6649041 0.0000000 2.4814055 11 In 3.3835613 0.0000000 0.9782049 0.0000000 2.5697446 0.0000000 0.2447061 0.0000000 2.0394339 12 In 3.3835613 0.0000000 0.9782049 0.0000000 2.5697446 0.0000000 0.2447061 0.0000000 2.0394339 13 S -2.7975771 0.0000000 -0.0617055 0.0000000 -3.4412949 0.0000000 -0.4729984 0.0000000 -2.3310219 14 S -2.7975771 0.0000000 -0.0617055 0.0000000 -3.4412949 0.0000000 -0.4729984 0.0000000 -2.3310219 15 S -2.5026785 0.0000000 -0.0978277 0.0000000 -3.2067167 0.0000000 -0.2697427 0.0000000 -2.6338516 16 S -2.5026785 0.0000000 -0.0978277 0.0000000 -3.2067167 0.0000000 -0.2697427 0.0000000 -2.6338516 17 S -2.0762859 0.0000000 0.2376062 0.0000000 -3.0003572 0.0000000 -0.0068561 0.0000000 -3.2630037 18 S -2.0762859 0.0000000 0.2376062 0.0000000 -3.0003572 0.0000000 -0.0068561 0.0000000 -3.2630037 19 S -2.7906522 0.0000000 -0.2758197 0.0000000 -3.3761292 0.0000000 0.5238351 0.0000000 -2.4037080 20 S -2.7906522 0.0000000 -0.2758197 0.0000000 -3.3761292 0.0000000 0.5238351 0.0000000 -2.4037080 21 S -3.1510186 0.0000000 -0.5993753 0.0000000 -2.1576649 0.0000000 -0.5001344 0.0000000 -2.5412977 22 S -3.1510186 0.0000000 -0.5993753 0.0000000 -2.1576649 0.0000000 -0.5001344 0.0000000 -2.5412977 23 S -3.0257119 0.0000000 -0.0592449 0.0000000 -2.6334184 0.0000000 -0.1295206 0.0000000 -2.2472295 24 S -3.0257119 0.0000000 -0.0592449 0.0000000 -2.6334184 0.0000000 -0.1295206 0.0000000 -2.2472295 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 6 13 3 ] 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: 0.50, Number of G-points: 285, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 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 0.638 ( 0.000 0.000 0.000) 0.000 0.835 ( 0.000 0.000 0.000) 0.000 0.847 ( 0.000 0.000 0.000) 0.000 1.007 ( 0.000 0.000 0.000) 0.000 1.047 ( 0.000 0.000 0.000) 0.000 1.088 ( 0.000 0.000 0.000) 0.000 1.094 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.353 ( 0.000 0.000 0.000) 0.000 1.354 ( 0.000 0.000 0.000) 0.000 1.555 ( 0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.607 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.307 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.447 ( 0.000 0.000 0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.156 ( 0.000 0.000 0.000) 0.000 8.309 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.755 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.403 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 15.014 0.000 6.905) 16.526 0.383 ( 18.215 0.000 2.336) 18.364 0.644 ( 24.021 0.000 -0.952) 24.040 0.764 ( -1.284 0.000 -2.856) 3.131 0.794 ( 10.068 0.000 5.205) 11.334 0.848 ( 0.058 0.000 0.027) 0.064 1.031 ( 5.128 0.000 3.471) 6.192 1.058 ( 1.102 0.000 0.530) 1.223 1.108 ( 1.783 0.000 -0.530) 1.860 1.131 ( 3.564 0.000 -7.496) 8.300 1.238 ( 1.950 0.000 6.399) 6.690 1.266 ( -3.706 0.000 -0.748) 3.780 1.496 ( 3.701 0.000 1.321) 3.930 1.549 ( -0.322 0.000 -2.563) 2.583 1.571 ( 0.015 0.000 2.155) 2.155 1.632 ( 0.244 0.000 -5.792) 5.797 1.700 ( -0.086 0.000 -0.045) 0.097 1.770 ( 3.568 0.000 -6.493) 7.409 1.904 ( -5.046 0.000 -0.196) 5.050 1.934 ( 2.882 0.000 3.461) 4.504 2.016 ( -0.005 0.000 -5.480) 5.480 2.066 ( -1.970 0.000 0.052) 1.971 2.093 ( 3.651 0.000 14.517) 14.970 2.203 ( -1.075 0.000 6.348) 6.438 2.271 ( 1.719 0.000 0.038) 1.719 2.325 ( -2.842 0.000 -6.901) 7.463 2.336 ( 0.610 0.000 -0.025) 0.610 2.418 ( 0.204 0.000 -5.460) 5.464 2.571 ( -2.908 0.000 -1.889) 3.467 2.912 ( 0.312 0.000 3.842) 3.855 3.723 ( -9.797 0.000 -1.898) 9.980 3.885 ( -6.736 0.000 4.944) 8.355 4.179 ( -17.121 0.000 1.143) 17.159 4.230 ( 3.513 0.000 -0.395) 3.535 4.492 ( -4.329 0.000 1.126) 4.473 4.637 ( -0.168 0.000 3.899) 3.902 4.898 ( 9.905 0.000 2.452) 10.204 4.972 ( -4.947 0.000 0.023) 4.947 4.989 ( 1.355 0.000 -0.417) 1.417 5.142 ( 8.664 0.000 1.318) 8.764 5.464 ( -6.020 0.000 2.896) 6.681 5.873 ( 13.046 0.000 -1.289) 13.110 5.976 ( -2.409 0.000 0.002) 2.409 6.075 ( -0.430 0.000 -0.332) 0.543 6.228 ( 9.420 0.000 0.006) 9.420 6.410 ( -8.246 0.000 2.833) 8.719 6.732 ( 2.432 0.000 6.362) 6.811 6.815 ( -2.381 0.000 -0.214) 2.390 6.929 ( -7.638 0.000 16.087) 17.809 7.056 ( -1.896 0.000 4.149) 4.562 7.190 ( 0.276 0.000 0.157) 0.318 7.302 ( 2.264 0.000 4.177) 4.751 7.314 ( -0.268 0.000 0.064) 0.276 7.399 ( -0.711 0.000 -5.020) 5.071 7.447 ( 0.143 0.000 -0.118) 0.185 7.452 ( 0.358 0.000 0.127) 0.380 7.586 ( 6.138 0.000 -37.180) 37.683 7.607 ( -0.987 0.000 -0.041) 0.988 7.634 ( -5.113 0.000 -2.573) 5.724 7.880 ( 1.005 0.000 1.205) 1.569 8.060 ( 1.268 0.000 -0.002) 1.268 8.083 ( 4.426 0.000 1.297) 4.612 8.158 ( 0.211 0.000 0.009) 0.211 8.213 ( -5.965 0.000 10.556) 12.125 8.338 ( -0.488 0.000 -0.016) 0.488 8.346 ( -0.909 0.000 -2.040) 2.233 8.550 ( 4.100 0.000 0.612) 4.145 8.735 ( -1.019 0.000 0.465) 1.120 8.878 ( 0.624 0.000 1.213) 1.364 8.930 ( -0.792 0.000 -2.082) 2.228 9.436 ( -4.619 0.000 3.968) 6.090 9.666 ( 2.696 0.000 2.110) 3.424 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 8.172 0.000 2.123) 8.443 0.672 ( 10.939 0.000 0.911) 10.977 0.690 ( 0.112 0.000 1.116) 1.121 0.844 ( -0.635 0.000 0.366) 0.733 0.860 ( 4.838 0.000 3.282) 5.846 0.983 ( 3.063 0.000 -2.580) 4.005 1.099 ( 3.066 0.000 1.150) 3.275 1.116 ( -2.649 0.000 -0.715) 2.744 1.154 ( 3.393 0.000 1.820) 3.851 1.158 ( 0.744 0.000 -4.740) 4.799 1.340 ( 6.733 0.000 3.486) 7.582 1.388 ( 4.039 0.000 -3.822) 5.561 1.481 ( 9.470 0.000 5.139) 10.775 1.528 ( -1.497 0.000 -2.297) 2.742 1.569 ( -0.814 0.000 1.633) 1.825 1.692 ( -1.043 0.000 0.071) 1.045 1.701 ( 3.999 0.000 -3.768) 5.494 1.797 ( -4.873 0.000 -0.316) 4.883 1.851 ( 5.768 0.000 -6.573) 8.745 1.952 ( -2.710 0.000 -1.096) 2.923 2.024 ( -1.995 0.000 0.008) 1.995 2.042 ( 3.866 0.000 -0.571) 3.908 2.173 ( 0.202 0.000 6.020) 6.024 2.231 ( -2.798 0.000 -0.505) 2.843 2.262 ( 3.593 0.000 9.414) 10.077 2.300 ( 1.049 0.000 0.058) 1.051 2.350 ( 0.694 0.000 -0.039) 0.695 2.402 ( -0.056 0.000 -4.396) 4.396 2.551 ( 2.866 0.000 -1.100) 3.070 2.891 ( -3.533 0.000 -1.194) 3.729 3.505 ( -10.521 0.000 -5.040) 11.666 3.787 ( -6.555 0.000 6.038) 8.912 3.833 ( -13.628 0.000 -1.359) 13.696 4.294 ( 2.141 0.000 0.678) 2.246 4.438 ( -1.573 0.000 -1.118) 1.930 4.659 ( 1.764 0.000 1.116) 2.088 4.870 ( -4.702 0.000 0.018) 4.702 4.999 ( -0.906 0.000 0.510) 1.040 5.021 ( 3.361 0.000 -0.536) 3.404 5.284 ( 5.197 0.000 0.268) 5.204 5.407 ( -0.883 0.000 0.304) 0.934 5.957 ( -0.068 0.000 0.001) 0.068 6.017 ( 1.388 0.000 0.125) 1.393 6.137 ( 3.561 0.000 -1.114) 3.731 6.299 ( 1.766 0.000 0.467) 1.827 6.406 ( 8.511 0.000 0.066) 8.511 6.716 ( -9.974 0.000 5.121) 11.212 6.750 ( -4.141 0.000 -0.262) 4.150 6.823 ( 0.653 0.000 0.180) 0.677 7.078 ( 1.921 0.000 5.297) 5.635 7.197 ( 0.383 0.000 0.177) 0.422 7.283 ( -3.088 0.000 -2.720) 4.115 7.307 ( -0.410 0.000 0.009) 0.410 7.411 ( 1.671 0.000 0.925) 1.910 7.451 ( 0.231 0.000 0.247) 0.338 7.458 ( 0.276 0.000 -0.215) 0.350 7.532 ( -4.564 0.000 -1.983) 4.976 7.587 ( -0.882 0.000 -0.032) 0.883 7.633 ( 3.107 0.000 -9.852) 10.331 7.923 ( 3.348 0.000 -1.257) 3.576 8.079 ( -4.548 0.000 4.809) 6.619 8.086 ( 1.137 0.000 -0.008) 1.137 8.164 ( 0.352 0.000 0.013) 0.352 8.221 ( 3.752 0.000 3.843) 5.371 8.322 ( -0.852 0.000 -2.422) 2.567 8.326 ( -0.591 0.000 -0.017) 0.591 8.581 ( -0.505 0.000 -0.341) 0.610 8.756 ( 2.721 0.000 0.471) 2.761 8.866 ( -1.690 0.000 -0.144) 1.696 8.915 ( -0.667 0.000 -0.104) 0.675 9.388 ( -1.016 0.000 0.110) 1.022 9.694 ( 0.184 0.000 0.497) 0.530 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.000 0.000 0.000) 0.000 0.771 ( 0.000 0.000 0.000) 0.000 0.792 ( 0.000 0.000 -0.000) 0.000 0.823 ( 0.000 0.000 0.000) 0.000 0.934 ( -0.000 0.000 -0.000) 0.000 0.951 ( 0.000 0.000 0.000) 0.000 1.076 ( 0.000 0.000 0.000) 0.000 1.145 ( 0.000 0.000 0.000) 0.000 1.159 ( 0.000 0.000 -0.000) 0.000 1.208 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 -0.000) 0.000 1.447 ( 0.000 0.000 0.000) 0.000 1.488 ( -0.000 0.000 0.000) 0.000 1.551 ( -0.000 0.000 -0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 1.753 ( 0.000 0.000 0.000) 0.000 1.757 ( -0.000 0.000 -0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 -0.000) 0.000 2.003 ( 0.000 0.000 -0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 -0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 -0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.738 ( -0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 -0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 -0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.114 ( 0.000 0.000 -0.000) 0.000 6.488 ( -0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 -0.000) 0.000 6.509 ( -0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 -0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.302 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 -0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.464 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 -0.000) 0.000 7.989 ( 0.000 0.000 -0.000) 0.000 8.003 ( -0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 -0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 8.304 ( -0.000 0.000 -0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 8.570 ( 0.000 0.000 -0.000) 0.000 8.794 ( 0.000 0.000 -0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 9.381 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 0.000 17.504 0.000) 17.504 0.394 ( 0.000 19.545 0.000) 19.545 0.671 ( 0.000 26.611 0.000) 26.611 0.692 ( 0.000 5.601 0.000) 5.601 0.810 ( 0.000 -1.922 0.000) 1.922 0.861 ( 0.000 3.652 0.000) 3.652 1.029 ( 0.000 3.683 0.000) 3.683 1.068 ( 0.000 5.856 0.000) 5.856 1.209 ( 0.000 5.293 0.000) 5.293 1.283 ( 0.000 7.833 0.000) 7.833 1.298 ( 0.000 2.264 0.000) 2.264 1.365 ( 0.000 3.658 0.000) 3.658 1.408 ( 0.000 8.308 0.000) 8.308 1.588 ( 0.000 3.441 0.000) 3.441 1.634 ( 0.000 6.750 0.000) 6.750 1.690 ( 0.000 -1.891 0.000) 1.891 1.732 ( 0.000 9.930 0.000) 9.930 1.865 ( 0.000 11.541 0.000) 11.541 1.906 ( 0.000 0.848 0.000) 0.848 1.992 ( 0.000 1.409 0.000) 1.409 2.031 ( 0.000 1.293 0.000) 1.293 2.073 ( 0.000 4.640 0.000) 4.640 2.090 ( 0.000 -2.639 0.000) 2.639 2.101 ( 0.000 2.124 0.000) 2.124 2.317 ( 0.000 10.147 0.000) 10.147 2.430 ( 0.000 8.543 0.000) 8.543 2.439 ( 0.000 5.813 0.000) 5.813 2.480 ( 0.000 14.676 0.000) 14.676 2.626 ( 0.000 2.105 0.000) 2.105 2.877 ( 0.000 2.946 0.000) 2.946 3.735 ( 0.000 -3.060 0.000) 3.060 3.966 ( 0.000 -1.583 0.000) 1.583 4.140 ( 0.000 0.130 0.000) 0.130 4.298 ( 0.000 -3.815 0.000) 3.815 4.339 ( 0.000 -5.206 0.000) 5.206 4.639 ( 0.000 -0.976 0.000) 0.976 4.676 ( 0.000 -2.346 0.000) 2.346 4.930 ( 0.000 -3.740 0.000) 3.740 4.965 ( 0.000 -1.918 0.000) 1.918 5.281 ( 0.000 -2.479 0.000) 2.479 5.388 ( 0.000 4.051 0.000) 4.051 5.658 ( 0.000 7.933 0.000) 7.933 6.041 ( 0.000 -4.322 0.000) 4.322 6.157 ( 0.000 2.756 0.000) 2.756 6.307 ( 0.000 2.802 0.000) 2.802 6.519 ( 0.000 1.655 0.000) 1.655 6.541 ( 0.000 -0.404 0.000) 0.404 6.739 ( 0.000 4.468 0.000) 4.468 6.794 ( 0.000 -3.900 0.000) 3.900 7.079 ( 0.000 -3.395 0.000) 3.395 7.147 ( 0.000 2.411 0.000) 2.411 7.286 ( 0.000 0.767 0.000) 0.767 7.328 ( 0.000 0.882 0.000) 0.882 7.416 ( 0.000 8.220 0.000) 8.220 7.449 ( 0.000 2.795 0.000) 2.795 7.532 ( 0.000 6.677 0.000) 6.677 7.642 ( 0.000 0.885 0.000) 0.885 7.696 ( 0.000 5.478 0.000) 5.478 7.836 ( 0.000 -2.849 0.000) 2.849 7.941 ( 0.000 -3.657 0.000) 3.657 8.001 ( 0.000 -1.571 0.000) 1.571 8.130 ( 0.000 7.478 0.000) 7.478 8.277 ( 0.000 -2.748 0.000) 2.748 8.314 ( 0.000 10.710 0.000) 10.710 8.428 ( 0.000 7.789 0.000) 7.789 8.458 ( 0.000 -2.548 0.000) 2.548 8.728 ( 0.000 0.832 0.000) 0.832 8.735 ( 0.000 -1.693 0.000) 1.693 8.871 ( 0.000 -3.378 0.000) 3.378 9.206 ( 0.000 1.384 0.000) 1.384 9.373 ( 0.000 -2.826 0.000) 2.826 9.588 ( 0.000 -1.994 0.000) 1.994 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 9.547 9.073 -1.921) 13.310 0.513 ( 10.945 13.015 6.361) 18.156 0.753 ( -4.315 0.260 0.680) 4.376 0.772 ( 6.629 4.246 0.591) 7.894 0.856 ( 7.431 5.637 -0.268) 9.331 0.912 ( 6.480 6.729 -3.554) 9.995 1.030 ( 0.488 2.091 2.683) 3.437 1.099 ( 2.582 5.413 0.838) 6.055 1.194 ( 3.015 12.686 0.944) 13.074 1.260 ( 0.576 3.563 0.671) 3.671 1.315 ( 1.776 8.313 -6.170) 10.504 1.385 ( 2.501 9.339 4.682) 10.742 1.483 ( 3.002 3.928 0.444) 4.963 1.599 ( 1.099 2.127 -1.780) 2.983 1.652 ( 2.047 6.693 -1.181) 7.098 1.670 ( -2.447 3.428 -0.372) 4.228 1.765 ( 3.351 4.446 -2.257) 6.007 1.862 ( -0.823 9.373 -1.215) 9.488 1.900 ( -2.787 0.896 -1.003) 3.095 1.927 ( -0.602 0.487 2.338) 2.463 2.028 ( 0.014 0.322 -4.507) 4.518 2.076 ( 0.192 1.425 3.093) 3.411 2.125 ( 4.113 3.922 7.976) 9.794 2.214 ( 4.651 -0.412 -0.627) 4.712 2.292 ( -1.947 9.397 2.407) 9.894 2.394 ( -1.084 6.491 -4.112) 7.760 2.486 ( 1.745 10.516 1.405) 10.752 2.526 ( 1.680 10.660 -0.667) 10.812 2.584 ( -2.527 3.346 -3.457) 5.434 2.913 ( 1.854 1.670 1.786) 3.068 3.673 ( -7.873 -4.395 -1.025) 9.074 3.831 ( -7.845 -2.800 2.469) 8.688 4.146 ( -14.440 -2.432 0.116) 14.644 4.212 ( 2.897 -1.587 0.251) 3.313 4.416 ( 2.819 -3.755 0.301) 4.705 4.598 ( -0.120 -3.388 1.922) 3.897 4.791 ( 8.474 -4.952 0.355) 9.821 4.929 ( 1.738 -3.536 -0.500) 3.972 5.097 ( 8.009 -2.356 0.348) 8.356 5.250 ( -4.957 12.199 0.396) 13.174 5.384 ( 0.340 -3.989 0.842) 4.091 5.760 ( 10.088 -1.260 -0.142) 10.168 6.019 ( -1.785 -4.407 0.057) 4.755 6.114 ( -4.291 9.021 0.171) 9.991 6.277 ( 2.996 -1.781 0.430) 3.512 6.444 ( -3.835 4.294 0.143) 5.759 6.664 ( -4.474 -4.637 0.355) 6.453 6.754 ( 7.479 -5.254 -0.697) 9.167 6.850 ( 3.601 1.125 5.684) 6.822 7.083 ( -2.073 0.943 -0.084) 2.279 7.145 ( 2.837 -1.749 -1.048) 3.493 7.267 ( -1.789 1.986 2.381) 3.580 7.340 ( -0.187 1.064 -3.424) 3.590 7.398 ( -0.638 4.911 -1.761) 5.256 7.473 ( 2.255 1.067 0.702) 2.592 7.523 ( -1.089 5.330 -0.558) 5.468 7.624 ( -1.247 2.291 -1.494) 3.006 7.673 ( -1.651 8.554 -0.115) 8.713 7.831 ( -0.043 -2.991 0.486) 3.030 7.864 ( -5.854 3.073 -4.961) 8.266 8.061 ( 4.242 -1.131 0.447) 4.413 8.123 ( -1.462 2.081 2.798) 3.781 8.230 ( -1.159 7.021 0.486) 7.132 8.342 ( 0.585 4.155 -2.368) 4.818 8.385 ( -3.412 1.350 0.238) 3.677 8.457 ( -2.342 9.642 1.024) 9.975 8.608 ( -4.079 4.451 0.455) 6.055 8.765 ( -1.278 2.682 -0.676) 3.047 8.860 ( 0.035 -2.844 0.932) 2.993 8.964 ( -6.979 5.803 -3.074) 9.583 9.383 ( -3.401 -4.547 3.786) 6.825 9.634 ( 3.092 -2.731 0.494) 4.154 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 5.780 2.528 -1.572) 6.501 0.692 ( 1.777 1.448 0.908) 2.465 0.757 ( 9.815 7.766 4.141) 13.183 0.871 ( 2.789 1.450 3.904) 5.012 0.919 ( 2.077 5.565 -1.534) 6.135 0.981 ( 1.268 1.640 -2.369) 3.148 1.067 ( 1.009 -1.243 1.922) 2.501 1.104 ( -2.076 1.654 -1.811) 3.214 1.210 ( 3.040 5.970 -0.536) 6.721 1.322 ( 0.372 7.541 -2.786) 8.048 1.433 ( -3.988 6.801 -0.608) 7.908 1.464 ( 2.869 6.827 2.757) 7.902 1.494 ( 12.964 7.540 1.786) 15.103 1.589 ( -2.240 3.727 -1.482) 4.595 1.655 ( 0.434 6.147 1.182) 6.275 1.741 ( 6.821 7.284 -4.392) 10.903 1.780 ( -5.582 1.430 0.189) 5.765 1.821 ( 3.328 3.399 -2.021) 5.169 1.859 ( -0.801 5.259 -1.195) 5.452 1.971 ( 1.549 -0.364 1.103) 1.936 2.036 ( 2.023 0.294 -1.766) 2.701 2.098 ( 1.473 3.458 2.026) 4.270 2.186 ( -3.105 3.859 4.676) 6.811 2.254 ( 3.318 4.896 2.547) 6.439 2.290 ( -0.629 7.864 0.628) 7.914 2.381 ( 0.942 3.925 -2.745) 4.881 2.507 ( -1.818 10.735 0.639) 10.906 2.512 ( 0.620 11.920 1.340) 12.011 2.595 ( 5.672 5.698 -2.377) 8.384 2.919 ( -1.898 3.461 -0.596) 3.992 3.473 ( -10.067 -2.935 -4.903) 11.575 3.728 ( -4.401 -4.369 5.520) 8.302 3.843 ( -14.022 1.312 -1.357) 14.149 4.264 ( 1.886 -2.721 0.464) 3.343 4.408 ( -1.494 -1.601 -0.904) 2.369 4.639 ( 2.925 -1.964 1.057) 3.679 4.912 ( 2.656 -6.838 0.205) 7.339 4.957 ( 1.261 -0.624 -0.306) 1.440 5.114 ( -4.452 13.159 -0.007) 13.891 5.251 ( 4.340 -2.465 0.259) 4.997 5.391 ( 0.264 -1.097 0.137) 1.137 5.955 ( 5.947 -5.112 -0.180) 7.844 6.003 ( 2.074 -5.368 -0.060) 5.755 6.083 ( 0.890 7.838 -0.345) 7.896 6.240 ( -3.518 -3.238 1.084) 4.903 6.497 ( -0.042 -5.781 0.392) 5.794 6.547 ( 0.147 2.990 -0.576) 3.048 6.824 ( -0.945 -0.660 0.149) 1.163 6.895 ( 0.036 3.570 2.803) 4.539 7.048 ( 0.503 -0.910 1.018) 1.455 7.205 ( -2.729 -0.040 0.150) 2.733 7.231 ( 2.264 -2.215 0.907) 3.294 7.310 ( -1.541 -0.001 0.183) 1.551 7.400 ( 0.909 4.009 -3.719) 5.543 7.468 ( -2.716 1.758 -0.712) 3.313 7.548 ( 3.707 0.814 0.271) 3.805 7.615 ( 0.456 7.772 1.187) 7.875 7.644 ( -1.176 9.413 -0.586) 9.504 7.748 ( -4.678 5.804 -3.561) 8.262 7.853 ( 1.915 -3.271 -1.883) 4.233 8.035 ( -4.446 -0.425 3.656) 5.772 8.179 ( 4.555 -1.713 -0.233) 4.872 8.243 ( 1.219 6.924 0.955) 7.095 8.311 ( -1.786 3.655 -0.046) 4.069 8.359 ( -0.221 5.797 0.035) 5.801 8.408 ( -1.809 11.845 -0.375) 11.988 8.582 ( -0.801 0.335 0.114) 0.876 8.749 ( 0.352 -0.111 -0.125) 0.390 8.860 ( -1.131 -1.173 0.663) 1.759 8.896 ( -1.123 -0.383 -0.799) 1.430 9.337 ( -1.363 -4.655 0.306) 4.860 9.669 ( 0.611 -2.373 0.258) 2.464 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 0.000 1.121 0.000) 1.121 0.774 ( 0.000 1.832 -0.000) 1.832 0.874 ( 0.000 5.319 -0.000) 5.319 0.888 ( 0.000 5.591 -0.000) 5.591 0.955 ( 0.000 2.519 -0.000) 2.519 0.967 ( 0.000 2.476 0.000) 2.476 1.045 ( 0.000 -0.893 0.000) 0.893 1.089 ( 0.000 -1.602 0.000) 1.602 1.281 ( 0.000 11.565 0.000) 11.565 1.336 ( 0.000 0.752 -0.000) 0.752 1.341 ( -0.000 8.590 0.000) 8.590 1.509 ( 0.000 5.050 0.000) 5.050 1.556 ( 0.000 1.266 0.000) 1.266 1.638 ( 0.000 10.657 -0.000) 10.657 1.646 ( -0.000 -0.680 0.000) 0.680 1.706 ( 0.000 3.403 0.000) 3.403 1.835 ( -0.000 6.185 0.000) 6.185 1.848 ( 0.000 5.389 -0.000) 5.389 1.898 ( -0.000 4.463 0.000) 4.463 1.946 ( 0.000 3.775 0.000) 3.775 2.081 ( 0.000 1.623 0.000) 1.623 2.105 ( 0.000 -5.488 0.000) 5.488 2.135 ( 0.000 11.295 -0.000) 11.295 2.258 ( 0.000 8.132 0.000) 8.132 2.298 ( 0.000 3.727 0.000) 3.727 2.401 ( 0.000 1.044 0.000) 1.044 2.481 ( 0.000 11.220 0.000) 11.220 2.522 ( 0.000 11.516 -0.000) 11.516 2.759 ( 0.000 3.875 0.000) 3.875 2.823 ( 0.000 8.559 0.000) 8.559 3.357 ( 0.000 -1.779 0.000) 1.779 3.658 ( 0.000 2.007 -0.000) 2.007 3.721 ( 0.000 -3.965 0.000) 3.965 4.283 ( 0.000 -2.807 0.000) 2.807 4.391 ( 0.000 -2.014 0.000) 2.014 4.677 ( 0.000 -0.715 0.000) 0.715 4.918 ( 0.000 -6.240 0.000) 6.240 4.973 ( 0.000 4.238 0.000) 4.238 5.071 ( 0.000 9.858 0.000) 9.858 5.295 ( 0.000 -3.648 -0.000) 3.648 5.393 ( 0.000 -0.350 0.000) 0.350 5.978 ( 0.000 -4.823 0.000) 4.823 6.055 ( 0.000 -4.188 -0.000) 4.188 6.074 ( -0.000 10.193 -0.000) 10.193 6.303 ( -0.000 -13.215 0.000) 13.215 6.353 ( 0.000 -3.709 0.000) 3.709 6.676 ( 0.000 6.141 0.000) 6.141 6.742 ( 0.000 1.978 0.000) 1.978 6.902 ( 0.000 3.393 0.000) 3.393 7.086 ( 0.000 -5.640 0.000) 5.640 7.139 ( 0.000 2.044 0.000) 2.044 7.272 ( 0.000 -2.700 0.000) 2.700 7.290 ( -0.000 0.226 -0.000) 0.226 7.415 ( -0.000 0.930 0.000) 0.930 7.427 ( 0.000 4.614 -0.000) 4.614 7.599 ( 0.000 4.970 0.000) 4.970 7.615 ( 0.000 9.139 0.000) 9.139 7.659 ( 0.000 3.536 0.000) 3.536 7.669 ( 0.000 7.239 0.000) 7.239 7.879 ( 0.000 -4.214 -0.000) 4.214 7.984 ( 0.000 -0.751 0.000) 0.751 8.233 ( 0.000 0.319 0.000) 0.319 8.253 ( -0.000 1.242 0.000) 1.242 8.295 ( -0.000 7.827 0.000) 7.827 8.357 ( 0.000 6.417 0.000) 6.417 8.390 ( 0.000 10.124 -0.000) 10.124 8.571 ( 0.000 0.451 0.000) 0.451 8.758 ( 0.000 -2.667 -0.000) 2.667 8.842 ( 0.000 -0.382 0.000) 0.382 8.888 ( 0.000 -0.916 0.000) 0.916 9.326 ( 0.000 -5.048 0.000) 5.048 9.672 ( 0.000 -2.033 0.000) 2.033 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.000 12.990 0.000) 12.990 0.719 ( 0.000 12.089 0.000) 12.089 0.833 ( 0.000 9.596 0.000) 9.596 0.892 ( 0.000 11.494 0.000) 11.494 0.911 ( 0.000 3.290 0.000) 3.290 0.936 ( 0.000 5.318 0.000) 5.318 1.196 ( 0.000 6.993 0.000) 6.993 1.200 ( 0.000 6.178 0.000) 6.178 1.318 ( 0.000 0.017 0.000) 0.017 1.350 ( 0.000 4.239 0.000) 4.239 1.494 ( 0.000 15.730 0.000) 15.730 1.544 ( 0.000 14.506 0.000) 14.506 1.546 ( 0.000 5.655 0.000) 5.655 1.671 ( 0.000 2.742 0.000) 2.742 1.755 ( 0.000 9.202 0.000) 9.202 1.774 ( 0.000 5.128 0.000) 5.128 1.891 ( 0.000 4.474 0.000) 4.474 1.948 ( 0.000 3.494 0.000) 3.494 2.010 ( 0.000 1.305 0.000) 1.305 2.025 ( 0.000 1.883 0.000) 1.883 2.073 ( 0.000 10.548 0.000) 10.548 2.084 ( 0.000 0.641 0.000) 0.641 2.263 ( 0.000 14.756 0.000) 14.756 2.298 ( 0.000 13.332 0.000) 13.332 2.552 ( 0.000 9.249 0.000) 9.249 2.583 ( 0.000 12.107 0.000) 12.107 2.586 ( 0.000 6.767 0.000) 6.767 2.731 ( 0.000 9.039 0.000) 9.039 2.790 ( 0.000 16.129 0.000) 16.129 3.015 ( 0.000 11.068 0.000) 11.068 3.643 ( 0.000 -6.061 0.000) 6.061 3.932 ( 0.000 -1.533 0.000) 1.533 4.145 ( 0.000 -0.500 0.000) 0.500 4.228 ( 0.000 -5.216 0.000) 5.216 4.231 ( 0.000 -0.985 0.000) 0.985 4.627 ( 0.000 -0.084 0.000) 0.084 4.640 ( 0.000 -0.804 0.000) 0.804 4.867 ( 0.000 -2.414 0.000) 2.414 4.945 ( 0.000 0.543 0.000) 0.543 5.252 ( 0.000 -0.027 0.000) 0.027 5.400 ( 0.000 -1.194 0.000) 1.194 5.925 ( 0.000 -5.186 0.000) 5.186 5.930 ( 0.000 14.940 0.000) 14.940 6.099 ( 0.000 -5.920 0.000) 5.920 6.405 ( 0.000 3.224 0.000) 3.224 6.527 ( 0.000 -0.336 0.000) 0.336 6.602 ( 0.000 5.448 0.000) 5.448 6.718 ( 0.000 -2.309 0.000) 2.309 6.808 ( 0.000 1.531 0.000) 1.531 7.045 ( 0.000 0.695 0.000) 0.695 7.186 ( 0.000 0.410 0.000) 0.410 7.328 ( 0.000 -0.888 0.000) 0.888 7.331 ( 0.000 3.594 0.000) 3.594 7.498 ( 0.000 0.999 0.000) 0.999 7.581 ( 0.000 -3.857 0.000) 3.857 7.584 ( 0.000 7.311 0.000) 7.311 7.653 ( 0.000 5.868 0.000) 5.868 7.793 ( 0.000 1.463 0.000) 1.463 7.901 ( 0.000 9.393 0.000) 9.393 7.948 ( 0.000 1.532 0.000) 1.532 7.967 ( 0.000 0.691 0.000) 0.691 8.160 ( 0.000 -5.079 0.000) 5.079 8.345 ( 0.000 8.494 0.000) 8.494 8.404 ( 0.000 -1.045 0.000) 1.045 8.498 ( 0.000 4.166 0.000) 4.166 8.577 ( 0.000 7.365 0.000) 7.365 8.708 ( 0.000 -0.514 0.000) 0.514 8.744 ( 0.000 1.033 0.000) 1.033 8.847 ( 0.000 3.558 0.000) 3.558 9.243 ( 0.000 2.365 0.000) 2.365 9.305 ( 0.000 -3.777 0.000) 3.777 9.535 ( 0.000 -3.276 0.000) 3.276 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 2.006 13.548 -3.976) 14.261 0.722 ( 0.076 4.528 0.787) 4.596 0.857 ( 1.816 11.978 5.237) 13.198 0.881 ( 0.997 5.927 2.585) 6.543 0.968 ( 4.413 6.893 -3.043) 8.732 0.983 ( 3.722 4.202 -2.695) 6.227 1.151 ( -2.346 7.115 4.923) 8.965 1.208 ( -0.689 5.586 -0.834) 5.690 1.318 ( -0.995 5.115 0.359) 5.223 1.361 ( 1.647 0.125 -4.708) 4.990 1.532 ( 2.272 6.802 3.312) 7.899 1.590 ( 3.893 8.010 -0.291) 8.911 1.647 ( 8.061 13.722 1.535) 15.988 1.683 ( 1.396 6.817 -0.851) 7.010 1.744 ( -1.110 8.730 -1.369) 8.906 1.793 ( 2.684 4.592 1.232) 5.459 1.861 ( -1.884 5.915 -1.451) 6.375 1.916 ( -2.919 2.390 -0.390) 3.793 1.993 ( -1.932 3.742 -1.767) 4.567 2.014 ( -0.515 3.569 1.014) 3.746 2.038 ( -0.760 1.725 -0.918) 2.096 2.137 ( 2.874 6.398 0.055) 7.014 2.287 ( 2.184 12.219 6.203) 13.876 2.342 ( 3.686 11.220 -3.083) 12.205 2.495 ( -3.161 8.856 -0.794) 9.437 2.593 ( 1.080 13.935 -0.753) 13.997 2.658 ( 3.781 7.125 1.525) 8.209 2.722 ( 0.326 11.037 -2.409) 11.302 2.795 ( -0.319 14.873 1.030) 14.912 3.030 ( 1.193 9.939 0.058) 10.010 3.574 ( -6.629 -4.988 -0.786) 8.333 3.798 ( -9.420 -0.631 1.028) 9.497 4.105 ( -8.252 -1.420 -1.287) 8.472 4.181 ( 0.468 -1.183 1.262) 1.792 4.370 ( 8.339 -1.049 0.285) 8.409 4.540 ( -3.572 -1.524 0.405) 3.905 4.721 ( 4.061 -2.210 -0.066) 4.624 4.866 ( 1.871 -2.568 -0.542) 3.223 5.043 ( 6.696 -2.126 0.242) 7.029 5.316 ( 4.987 0.128 0.107) 4.989 5.395 ( -0.810 0.293 -0.055) 0.863 5.888 ( -1.780 10.047 0.047) 10.204 5.904 ( -1.829 -6.754 0.164) 6.999 6.142 ( 2.137 -1.944 0.317) 2.906 6.336 ( -2.346 5.066 -0.439) 5.600 6.568 ( -3.962 8.213 0.039) 9.119 6.603 ( -2.573 -1.869 -0.557) 3.229 6.673 ( 5.648 -2.310 0.409) 6.116 6.863 ( 2.794 -0.840 0.906) 3.054 7.071 ( 1.742 0.444 0.123) 1.802 7.158 ( -2.359 -0.418 0.229) 2.407 7.316 ( -0.663 1.150 3.509) 3.752 7.362 ( 0.698 1.991 -4.040) 4.558 7.454 ( -4.534 -1.291 -1.760) 5.032 7.504 ( -0.025 2.435 -0.144) 2.439 7.606 ( -1.767 5.023 0.236) 5.330 7.702 ( 3.627 4.416 0.604) 5.747 7.793 ( 0.334 1.001 -0.081) 1.058 7.886 ( -1.570 9.615 0.016) 9.742 7.922 ( -2.444 4.291 -0.211) 4.943 8.018 ( 4.532 -2.038 1.715) 5.257 8.134 ( -2.624 -2.782 -1.410) 4.076 8.335 ( -3.345 5.096 -0.272) 6.101 8.369 ( 0.281 -0.180 0.573) 0.663 8.515 ( 0.943 7.665 -0.227) 7.726 8.586 ( 0.808 5.093 0.278) 5.164 8.646 ( -3.600 0.792 -0.103) 3.688 8.796 ( 2.395 -0.086 0.914) 2.565 8.842 ( -0.569 4.657 -0.286) 4.701 9.101 ( -9.268 6.164 -3.799) 11.761 9.292 ( -3.429 -3.980 3.869) 6.524 9.571 ( 2.801 -3.553 -0.505) 4.552 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -1.071 4.374 -1.771) 4.839 0.770 ( 5.463 6.775 -0.771) 8.737 0.892 ( 1.973 2.695 0.525) 3.381 0.965 ( 4.970 10.016 7.911) 13.697 1.012 ( 1.303 3.870 -2.560) 4.820 1.061 ( 2.908 6.282 -2.843) 7.483 1.128 ( -1.283 6.508 3.149) 7.343 1.176 ( -2.847 5.718 -2.480) 6.852 1.323 ( 3.382 5.970 -0.057) 6.862 1.370 ( 0.507 0.552 -3.493) 3.572 1.574 ( 1.386 4.338 1.530) 4.805 1.620 ( -4.579 6.670 1.022) 8.155 1.664 ( -0.599 5.593 0.718) 5.670 1.721 ( 1.628 4.772 -1.370) 5.225 1.763 ( 1.178 10.992 1.197) 11.120 1.825 ( -0.828 2.210 0.027) 2.360 1.885 ( 1.512 3.957 0.167) 4.239 1.923 ( 2.104 4.613 0.628) 5.109 1.968 ( 1.529 8.749 -3.768) 9.648 2.006 ( 3.392 4.386 -0.388) 5.559 2.048 ( 0.992 2.172 0.168) 2.393 2.178 ( 0.833 6.409 1.440) 6.622 2.338 ( 1.015 9.823 5.300) 11.207 2.406 ( 3.105 9.153 -0.946) 9.712 2.456 ( -0.429 9.160 -2.377) 9.473 2.581 ( -2.576 14.972 -0.338) 15.196 2.697 ( 1.077 6.793 0.697) 6.913 2.773 ( -1.178 13.654 1.643) 13.803 2.788 ( 5.031 13.011 -2.396) 14.154 3.046 ( -0.084 8.448 0.337) 8.455 3.429 ( -6.081 0.627 -4.506) 7.595 3.665 ( -4.087 -1.433 4.929) 6.561 3.899 ( -11.268 4.558 -1.872) 12.299 4.210 ( 1.521 -2.082 0.408) 2.610 4.405 ( -2.499 1.708 -0.387) 3.051 4.584 ( 5.980 -3.464 0.835) 6.961 4.776 ( 0.874 -5.594 0.001) 5.662 4.918 ( 3.033 -2.544 -0.509) 3.991 5.151 ( 4.269 -4.501 0.322) 6.212 5.348 ( -3.052 4.039 -0.145) 5.065 5.393 ( 1.988 2.024 0.034) 2.837 5.869 ( -1.300 -6.696 -0.081) 6.821 5.932 ( 5.939 0.950 0.186) 6.017 6.142 ( -1.883 0.692 0.114) 2.009 6.309 ( -1.499 7.117 -0.384) 7.283 6.436 ( -7.670 2.320 0.280) 8.018 6.628 ( 5.732 4.197 0.402) 7.115 6.793 ( 4.244 -1.178 -0.343) 4.418 6.903 ( 1.335 -1.482 0.716) 2.120 7.036 ( -4.367 -0.847 -0.030) 4.449 7.162 ( 1.705 -1.887 0.125) 2.547 7.250 ( -6.624 -2.410 -0.293) 7.055 7.322 ( -0.587 3.276 2.349) 4.074 7.480 ( 3.853 2.498 -5.929) 7.500 7.514 ( 0.960 1.656 -0.811) 2.079 7.567 ( -1.345 2.978 3.345) 4.676 7.762 ( 2.159 5.456 1.228) 5.994 7.789 ( -1.868 1.106 -1.053) 2.412 7.858 ( -0.364 9.289 1.004) 9.350 7.879 ( -1.240 5.949 -1.514) 6.263 8.049 ( -4.318 0.492 1.230) 4.517 8.124 ( 4.406 -2.957 -0.201) 5.310 8.268 ( -2.740 -0.330 -0.162) 2.765 8.401 ( 1.977 0.950 0.009) 2.193 8.522 ( -0.138 10.820 0.061) 10.821 8.575 ( -2.313 1.842 0.026) 2.957 8.615 ( 0.574 3.729 0.071) 3.774 8.817 ( -0.174 3.223 -1.247) 3.460 8.830 ( -0.383 3.920 1.381) 4.174 8.951 ( -5.266 6.051 -0.848) 8.066 9.236 ( -2.128 -4.700 0.709) 5.208 9.609 ( 1.075 -3.526 -0.066) 3.686 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.000 3.005 0.000) 3.005 0.843 ( 0.000 4.684 -0.000) 4.684 0.936 ( 0.000 2.076 0.000) 2.076 1.000 ( 0.000 3.582 -0.000) 3.582 1.031 ( 0.000 6.506 0.000) 6.506 1.087 ( 0.000 8.530 0.000) 8.530 1.108 ( -0.000 7.369 -0.000) 7.369 1.129 ( 0.000 5.149 0.000) 5.149 1.351 ( 0.000 0.667 0.000) 0.667 1.460 ( 0.000 5.172 -0.000) 5.172 1.495 ( -0.000 7.278 0.000) 7.278 1.585 ( 0.000 3.070 0.000) 3.070 1.645 ( 0.000 6.884 0.000) 6.884 1.760 ( -0.000 9.621 0.000) 9.621 1.765 ( 0.000 2.218 -0.000) 2.218 1.823 ( 0.000 6.162 0.000) 6.162 1.893 ( 0.000 3.626 0.000) 3.626 1.920 ( 0.000 2.938 0.000) 2.938 2.003 ( 0.000 1.790 0.000) 1.790 2.014 ( -0.000 -2.307 -0.000) 2.307 2.145 ( -0.000 5.728 0.000) 5.728 2.153 ( 0.000 15.136 -0.000) 15.136 2.348 ( 0.000 10.119 0.000) 10.119 2.442 ( -0.000 9.952 -0.000) 9.952 2.453 ( 0.000 7.590 0.000) 7.590 2.539 ( 0.000 15.593 -0.000) 15.593 2.709 ( 0.000 9.581 -0.000) 9.581 2.757 ( 0.000 12.585 0.000) 12.585 2.856 ( 0.000 5.250 0.000) 5.250 3.027 ( 0.000 9.352 0.000) 9.352 3.372 ( 0.000 6.007 0.000) 6.007 3.663 ( 0.000 -1.013 -0.000) 1.013 3.742 ( 0.000 6.979 0.000) 6.979 4.227 ( 0.000 -2.202 0.000) 2.202 4.375 ( 0.000 0.992 0.000) 0.992 4.660 ( 0.000 -0.825 0.000) 0.825 4.767 ( 0.000 -7.962 0.000) 7.962 4.952 ( 0.000 -2.207 0.000) 2.207 5.200 ( 0.000 -5.770 0.000) 5.770 5.304 ( 0.000 6.162 0.000) 6.162 5.412 ( 0.000 2.742 0.000) 2.742 5.857 ( 0.000 -6.928 0.000) 6.928 6.053 ( -0.000 -11.449 0.000) 11.449 6.077 ( 0.000 8.905 0.000) 8.905 6.305 ( 0.000 11.148 0.000) 11.148 6.332 ( 0.000 0.969 -0.000) 0.969 6.738 ( 0.000 1.085 0.000) 1.085 6.798 ( 0.000 4.775 0.000) 4.775 6.916 ( 0.000 -1.085 0.000) 1.085 6.992 ( 0.000 -4.136 0.000) 4.136 7.149 ( 0.000 -1.277 -0.000) 1.277 7.203 ( 0.000 -4.038 0.000) 4.038 7.318 ( 0.000 2.260 -0.000) 2.260 7.506 ( -0.000 6.703 0.000) 6.703 7.518 ( 0.000 3.383 -0.000) 3.383 7.586 ( 0.000 -2.712 0.000) 2.712 7.742 ( 0.000 3.166 -0.000) 3.166 7.790 ( 0.000 4.492 0.000) 4.492 7.849 ( 0.000 10.556 0.000) 10.556 7.887 ( 0.000 5.120 -0.000) 5.120 7.992 ( 0.000 1.241 -0.000) 1.241 8.182 ( 0.000 -3.271 0.000) 3.271 8.233 ( -0.000 -1.430 0.000) 1.430 8.424 ( 0.000 -0.214 0.000) 0.214 8.518 ( 0.000 11.796 0.000) 11.796 8.549 ( 0.000 1.695 0.000) 1.695 8.623 ( 0.000 4.649 0.000) 4.649 8.815 ( 0.000 11.407 0.000) 11.407 8.821 ( 0.000 -1.269 -0.000) 1.269 8.902 ( 0.000 2.819 0.000) 2.819 9.217 ( 0.000 -5.121 0.000) 5.121 9.617 ( 0.000 -3.357 0.000) 3.357 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 0.000 5.052 0.000) 5.052 0.928 ( 0.000 0.056 0.000) 0.056 0.936 ( 0.000 9.614 0.000) 9.614 1.066 ( 0.000 6.128 0.000) 6.128 1.086 ( 0.000 13.273 0.000) 13.273 1.105 ( 0.000 8.231 0.000) 8.231 1.293 ( 0.000 3.046 0.000) 3.046 1.329 ( 0.000 2.023 0.000) 2.023 1.360 ( 0.000 9.752 0.000) 9.752 1.472 ( 0.000 7.570 0.000) 7.570 1.630 ( 0.000 4.267 0.000) 4.267 1.660 ( 0.000 6.038 0.000) 6.038 1.672 ( 0.000 2.619 0.000) 2.619 1.824 ( 0.000 -0.369 0.000) 0.369 1.835 ( 0.000 2.007 0.000) 2.007 1.933 ( 0.000 1.393 0.000) 1.393 1.974 ( 0.000 7.414 0.000) 7.414 2.018 ( 0.000 11.032 0.000) 11.032 2.059 ( 0.000 1.655 0.000) 1.655 2.112 ( 0.000 5.039 0.000) 5.039 2.140 ( 0.000 5.087 0.000) 5.087 2.283 ( 0.000 9.872 0.000) 9.872 2.520 ( 0.000 6.280 0.000) 6.280 2.522 ( 0.000 10.989 0.000) 10.989 2.685 ( 0.000 7.159 0.000) 7.159 2.749 ( 0.000 10.327 0.000) 10.327 2.887 ( 0.000 15.135 0.000) 15.135 2.979 ( 0.000 16.274 0.000) 16.274 3.088 ( 0.000 13.644 0.000) 13.644 3.201 ( 0.000 2.472 0.000) 2.472 3.562 ( 0.000 2.036 0.000) 2.036 3.915 ( 0.000 -0.148 0.000) 0.148 4.107 ( 0.000 -1.884 0.000) 1.884 4.157 ( 0.000 -1.566 0.000) 1.566 4.309 ( 0.000 7.896 0.000) 7.896 4.640 ( 0.000 1.400 0.000) 1.400 4.657 ( 0.000 2.722 0.000) 2.722 4.845 ( 0.000 0.387 0.000) 0.387 4.990 ( 0.000 3.495 0.000) 3.495 5.301 ( 0.000 5.684 0.000) 5.684 5.377 ( 0.000 -0.839 0.000) 0.839 5.761 ( 0.000 -9.327 0.000) 9.327 5.973 ( 0.000 -6.571 0.000) 6.571 6.246 ( 0.000 13.417 0.000) 13.417 6.449 ( 0.000 2.131 0.000) 2.131 6.522 ( 0.000 0.080 0.000) 0.080 6.600 ( 0.000 -2.805 0.000) 2.805 6.762 ( 0.000 2.910 0.000) 2.910 6.811 ( 0.000 -0.141 0.000) 0.141 7.131 ( 0.000 7.442 0.000) 7.442 7.152 ( 0.000 -3.793 0.000) 3.793 7.320 ( 0.000 1.001 0.000) 1.001 7.384 ( 0.000 1.576 0.000) 1.576 7.442 ( 0.000 -5.353 0.000) 5.353 7.575 ( 0.000 2.684 0.000) 2.684 7.656 ( 0.000 1.013 0.000) 1.013 7.797 ( 0.000 7.254 0.000) 7.254 7.853 ( 0.000 3.188 0.000) 3.188 7.911 ( 0.000 -1.700 0.000) 1.700 8.028 ( 0.000 2.628 0.000) 2.628 8.053 ( 0.000 -4.525 0.000) 4.525 8.072 ( 0.000 5.565 0.000) 5.565 8.374 ( 0.000 1.448 0.000) 1.448 8.412 ( 0.000 -8.523 0.000) 8.523 8.548 ( 0.000 8.027 0.000) 8.027 8.735 ( 0.000 3.666 0.000) 3.666 8.743 ( 0.000 6.485 0.000) 6.485 8.800 ( 0.000 5.078 0.000) 5.078 8.998 ( 0.000 10.044 0.000) 10.044 9.239 ( 0.000 -2.626 0.000) 2.626 9.297 ( 0.000 2.955 0.000) 2.955 9.467 ( 0.000 -3.435 0.000) 3.435 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -1.233 3.652 1.162) 4.026 0.908 ( -0.462 8.934 -3.404) 9.571 0.930 ( -0.369 2.876 0.832) 3.017 1.087 ( 1.122 5.334 -0.952) 5.533 1.107 ( 1.447 9.635 4.665) 10.803 1.129 ( 3.245 9.083 -2.560) 9.979 1.285 ( -1.036 5.419 2.783) 6.179 1.337 ( 0.431 4.639 0.862) 4.738 1.364 ( 0.901 5.321 -4.724) 7.173 1.453 ( -1.176 7.565 0.737) 7.691 1.622 ( 0.495 3.227 3.499) 4.786 1.688 ( 1.644 2.662 -0.548) 3.177 1.697 ( 1.190 3.601 -1.742) 4.173 1.812 ( -0.180 1.093 0.672) 1.296 1.869 ( 1.481 2.792 0.160) 3.164 1.911 ( -2.162 1.346 0.206) 2.555 1.984 ( -0.724 1.950 0.149) 2.086 2.031 ( -1.915 2.873 -0.201) 3.459 2.047 ( 1.421 6.824 1.802) 7.200 2.104 ( -0.954 4.982 -1.853) 5.400 2.142 ( 3.958 12.987 -2.767) 13.856 2.304 ( 1.857 9.301 -0.551) 9.501 2.509 ( -0.612 7.348 4.045) 8.410 2.546 ( 1.983 9.371 -1.315) 9.669 2.672 ( -0.987 9.275 -0.918) 9.372 2.752 ( 0.381 5.755 0.375) 5.780 2.897 ( 0.150 13.879 0.436) 13.886 3.011 ( 2.094 15.130 -0.948) 15.304 3.074 ( -1.452 13.090 0.138) 13.171 3.184 ( -1.170 2.394 0.261) 2.677 3.557 ( 0.074 6.311 -0.177) 6.314 3.808 ( -8.239 1.782 0.185) 8.432 4.102 ( -2.333 1.276 -3.263) 4.209 4.171 ( 1.638 -0.048 3.356) 3.734 4.389 ( 6.998 3.663 0.196) 7.901 4.563 ( -4.652 3.988 0.027) 6.128 4.699 ( 1.410 -0.072 -0.274) 1.438 4.839 ( 0.519 0.067 -0.321) 0.613 5.026 ( 2.679 0.350 0.243) 2.712 5.356 ( 2.003 1.460 -0.222) 2.489 5.395 ( 3.808 3.644 0.045) 5.271 5.748 ( -1.181 -8.735 0.022) 8.814 5.914 ( -4.434 -5.177 0.035) 6.817 6.278 ( 2.205 11.085 -0.223) 11.304 6.405 ( -1.774 2.796 -0.101) 3.313 6.570 ( -1.410 -0.894 0.466) 1.734 6.611 ( 4.128 -1.149 0.234) 4.292 6.757 ( 0.812 5.242 0.043) 5.304 6.839 ( 2.422 -0.410 -0.199) 2.464 7.107 ( -4.177 -2.403 0.161) 4.822 7.139 ( 0.691 4.725 -0.507) 4.802 7.313 ( -3.189 -0.180 1.582) 3.564 7.390 ( 1.746 0.088 -3.515) 3.925 7.398 ( -2.235 -2.280 0.770) 3.284 7.565 ( -0.777 2.886 0.929) 3.130 7.686 ( 0.493 1.710 0.883) 1.987 7.788 ( 0.615 5.031 -0.907) 5.149 7.844 ( -0.420 2.893 0.173) 2.928 7.926 ( 0.465 -1.850 0.968) 2.139 8.015 ( -1.200 0.273 -0.399) 1.294 8.045 ( 0.670 1.989 2.601) 3.342 8.095 ( 0.707 2.059 -3.388) 4.027 8.334 ( -3.563 -0.634 2.795) 4.572 8.387 ( -1.535 -3.173 -2.959) 4.603 8.592 ( 3.521 5.239 0.530) 6.335 8.669 ( -3.900 3.234 1.170) 5.200 8.761 ( 0.430 8.231 -2.788) 8.701 8.823 ( 0.711 2.652 2.238) 3.542 9.000 ( 0.202 10.053 -0.260) 10.059 9.172 ( -4.183 0.461 -3.306) 5.352 9.269 ( -4.079 2.761 3.833) 6.242 9.498 ( 2.583 -3.713 -0.768) 4.588 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -2.278 3.987 0.308) 4.602 0.915 ( 0.254 3.071 -1.104) 3.273 0.948 ( 3.276 7.085 -0.109) 7.806 1.089 ( -0.648 3.907 -1.446) 4.216 1.151 ( 1.709 7.028 3.634) 8.094 1.197 ( 3.607 7.983 -0.852) 8.801 1.272 ( -0.846 6.615 1.942) 6.945 1.328 ( -1.871 9.323 -0.910) 9.552 1.363 ( 0.023 0.222 -4.283) 4.289 1.469 ( 3.357 7.404 0.895) 8.179 1.647 ( 0.589 3.193 0.755) 3.333 1.699 ( -1.364 2.912 -0.313) 3.231 1.721 ( 2.249 1.676 1.740) 3.300 1.814 ( -1.232 2.706 -0.367) 2.996 1.840 ( -1.098 2.475 0.460) 2.746 1.883 ( -2.208 1.018 1.348) 2.780 1.976 ( 0.593 2.978 1.009) 3.200 1.993 ( -1.219 2.356 -0.727) 2.750 2.040 ( -1.025 1.516 -0.518) 1.903 2.076 ( -1.638 4.261 -1.235) 4.729 2.278 ( 6.006 14.319 -2.974) 15.810 2.354 ( 4.530 10.697 1.595) 11.726 2.519 ( 0.789 7.364 2.886) 7.949 2.589 ( 2.387 8.528 -0.363) 8.863 2.647 ( -1.259 9.322 -1.345) 9.502 2.771 ( 1.632 1.616 0.202) 2.305 2.886 ( -1.271 15.028 0.025) 15.082 2.987 ( -3.627 5.073 0.272) 6.242 3.036 ( -2.522 11.709 -0.183) 11.979 3.174 ( -0.652 5.969 -0.569) 6.032 3.593 ( 2.706 15.147 -3.797) 15.849 3.680 ( -2.701 3.140 5.399) 6.805 4.017 ( -5.655 6.915 -3.146) 9.471 4.205 ( 1.243 1.775 1.544) 2.661 4.481 ( -3.524 5.330 0.089) 6.390 4.529 ( 6.958 -0.472 0.414) 6.986 4.703 ( -1.246 -2.032 -0.279) 2.400 4.875 ( 2.971 -1.413 -0.408) 3.315 5.069 ( 1.474 -3.439 0.305) 3.754 5.343 ( -1.974 -2.188 -0.193) 2.953 5.482 ( 3.145 7.071 0.019) 7.739 5.726 ( -0.894 -7.656 -0.000) 7.708 5.862 ( -0.640 -5.918 0.065) 5.953 6.309 ( 1.174 10.295 -0.148) 10.362 6.383 ( -0.603 2.908 -0.188) 2.976 6.522 ( -3.773 4.081 0.467) 5.577 6.682 ( 4.186 0.113 0.369) 4.204 6.822 ( 4.783 1.931 -0.092) 5.159 6.890 ( 2.639 1.917 -0.150) 3.265 7.015 ( -4.580 -0.518 0.023) 4.609 7.152 ( 0.576 1.869 -0.476) 2.013 7.197 ( -7.302 -1.640 -0.198) 7.487 7.371 ( -1.161 1.670 0.956) 2.248 7.456 ( 4.549 -1.987 -2.175) 5.420 7.556 ( -0.368 1.205 1.588) 2.027 7.655 ( -2.352 4.026 0.372) 4.677 7.804 ( -0.720 0.832 -2.103) 2.373 7.847 ( 0.639 2.923 1.838) 3.511 7.927 ( 0.158 -0.547 1.909) 1.992 7.996 ( -0.981 0.781 -1.435) 1.905 8.061 ( -0.279 2.647 -0.333) 2.682 8.101 ( 1.885 -0.108 -0.610) 1.985 8.264 ( -3.801 -0.013 1.686) 4.158 8.375 ( 0.613 -1.224 -1.777) 2.243 8.603 ( -2.640 2.048 0.707) 3.415 8.662 ( 2.993 5.130 0.227) 5.943 8.756 ( -0.638 8.222 -0.440) 8.258 8.821 ( -0.738 0.670 0.329) 1.049 9.006 ( 0.547 9.844 -0.436) 9.868 9.103 ( -2.689 6.375 -1.297) 7.039 9.188 ( -3.836 1.658 1.678) 4.504 9.536 ( 1.209 -3.794 -0.215) 3.988 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 4.340 0.000) 4.340 0.915 ( 0.000 2.036 0.000) 2.036 1.013 ( 0.000 5.965 0.000) 5.965 1.058 ( -0.000 2.982 -0.000) 2.982 1.172 ( 0.000 6.791 0.000) 6.791 1.249 ( -0.000 6.236 -0.000) 6.236 1.253 ( 0.000 7.617 0.000) 7.617 1.297 ( 0.000 10.761 -0.000) 10.761 1.358 ( 0.000 0.118 0.000) 0.118 1.539 ( 0.000 3.514 -0.000) 3.514 1.647 ( 0.000 3.127 0.000) 3.127 1.650 ( -0.000 8.585 -0.000) 8.585 1.760 ( 0.000 4.248 0.000) 4.248 1.788 ( -0.000 0.592 -0.000) 0.592 1.844 ( 0.000 0.375 -0.000) 0.375 1.855 ( 0.000 -1.099 0.000) 1.099 1.968 ( 0.000 2.575 0.000) 2.575 2.011 ( 0.000 2.622 0.000) 2.622 2.031 ( 0.000 2.469 0.000) 2.469 2.042 ( 0.000 4.227 -0.000) 4.227 2.316 ( 0.000 11.360 0.000) 11.360 2.433 ( 0.000 12.141 0.000) 12.141 2.532 ( 0.000 8.298 0.000) 8.298 2.617 ( 0.000 8.149 0.000) 8.149 2.632 ( 0.000 7.749 -0.000) 7.749 2.798 ( 0.000 -0.297 -0.000) 0.297 2.862 ( 0.000 15.379 -0.000) 15.379 2.940 ( 0.000 3.581 0.000) 3.581 3.005 ( 0.000 11.973 0.000) 11.973 3.159 ( 0.000 6.071 0.000) 6.071 3.578 ( 0.000 9.443 0.000) 9.443 3.743 ( 0.000 11.827 0.000) 11.827 3.921 ( 0.000 10.135 0.000) 10.135 4.219 ( 0.000 1.835 0.000) 1.835 4.445 ( 0.000 6.065 0.000) 6.065 4.637 ( 0.000 -4.640 0.000) 4.640 4.651 ( -0.000 0.141 0.000) 0.141 4.914 ( 0.000 -1.481 0.000) 1.481 5.082 ( 0.000 -5.664 0.000) 5.664 5.315 ( 0.000 -2.172 0.000) 2.172 5.509 ( 0.000 6.925 0.000) 6.925 5.717 ( 0.000 -7.144 0.000) 7.144 5.863 ( 0.000 -7.516 0.000) 7.516 6.313 ( 0.000 8.454 0.000) 8.454 6.403 ( 0.000 8.486 0.000) 8.486 6.456 ( -0.000 3.924 0.000) 3.924 6.743 ( 0.000 -0.323 0.000) 0.323 6.874 ( 0.000 -2.319 0.000) 2.319 6.917 ( 0.000 1.176 0.000) 1.176 6.979 ( 0.000 8.120 -0.000) 8.120 7.097 ( -0.000 -3.054 -0.000) 3.054 7.157 ( 0.000 0.227 0.000) 0.227 7.359 ( 0.000 1.824 -0.000) 1.824 7.512 ( 0.000 -2.741 -0.000) 2.741 7.553 ( 0.000 0.529 0.000) 0.529 7.630 ( 0.000 3.350 -0.000) 3.350 7.779 ( 0.000 0.738 -0.000) 0.738 7.855 ( 0.000 2.417 0.000) 2.417 7.945 ( 0.000 -0.035 0.000) 0.035 7.973 ( 0.000 0.286 -0.000) 0.286 8.055 ( 0.000 5.292 -0.000) 5.292 8.135 ( 0.000 -3.245 0.000) 3.245 8.219 ( -0.000 1.069 0.000) 1.069 8.383 ( 0.000 -0.834 0.000) 0.834 8.576 ( 0.000 2.233 0.000) 2.233 8.697 ( 0.000 5.777 0.000) 5.777 8.745 ( -0.000 6.827 0.000) 6.827 8.813 ( 0.000 0.348 0.000) 0.348 9.016 ( 0.000 8.795 -0.000) 8.795 9.067 ( 0.000 11.455 -0.000) 11.455 9.153 ( 0.000 -0.561 0.000) 0.561 9.546 ( 0.000 -3.778 0.000) 3.778 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.000 2.917 0.000) 2.917 0.922 ( 0.000 -0.516 0.000) 0.516 1.098 ( 0.000 6.812 0.000) 6.812 1.162 ( 0.000 3.631 0.000) 3.631 1.211 ( 0.000 3.785 0.000) 3.785 1.314 ( 0.000 0.306 0.000) 0.306 1.315 ( 0.000 9.287 0.000) 9.287 1.403 ( 0.000 4.022 0.000) 4.022 1.555 ( 0.000 8.442 0.000) 8.442 1.587 ( 0.000 3.660 0.000) 3.660 1.696 ( 0.000 2.241 0.000) 2.241 1.724 ( 0.000 2.333 0.000) 2.333 1.778 ( 0.000 2.694 0.000) 2.694 1.825 ( 0.000 4.988 0.000) 4.988 1.871 ( 0.000 2.356 0.000) 2.356 1.979 ( 0.000 3.082 0.000) 3.082 1.981 ( 0.000 -0.660 0.000) 0.660 2.084 ( 0.000 0.715 0.000) 0.715 2.136 ( 0.000 -1.534 0.000) 1.534 2.181 ( 0.000 2.817 0.000) 2.817 2.319 ( 0.000 9.519 0.000) 9.519 2.442 ( 0.000 5.641 0.000) 5.641 2.537 ( 0.000 -2.583 0.000) 2.583 2.712 ( 0.000 8.566 0.000) 8.566 2.833 ( 0.000 6.743 0.000) 6.743 2.902 ( 0.000 -0.634 0.000) 0.634 3.122 ( 0.000 -1.483 0.000) 1.483 3.133 ( 0.000 10.392 0.000) 10.392 3.311 ( 0.000 14.593 0.000) 14.593 3.312 ( 0.000 8.830 0.000) 8.830 3.744 ( 0.000 12.301 0.000) 12.301 3.922 ( 0.000 0.872 0.000) 0.872 4.103 ( 0.000 1.689 0.000) 1.689 4.180 ( 0.000 3.797 0.000) 3.797 4.510 ( 0.000 11.774 0.000) 11.774 4.680 ( 0.000 2.755 0.000) 2.755 4.747 ( 0.000 6.167 0.000) 6.167 4.885 ( 0.000 3.671 0.000) 3.671 5.058 ( 0.000 3.145 0.000) 3.145 5.372 ( 0.000 0.396 0.000) 0.396 5.483 ( 0.000 12.237 0.000) 12.237 5.562 ( 0.000 -10.756 0.000) 10.756 5.843 ( 0.000 -6.648 0.000) 6.648 6.398 ( 0.000 1.550 0.000) 1.550 6.490 ( 0.000 1.407 0.000) 1.407 6.528 ( 0.000 0.369 0.000) 0.369 6.568 ( 0.000 0.427 0.000) 0.427 6.805 ( 0.000 2.430 0.000) 2.430 6.855 ( 0.000 4.595 0.000) 4.595 7.054 ( 0.000 -5.046 0.000) 5.046 7.271 ( 0.000 5.841 0.000) 5.841 7.336 ( 0.000 -5.070 0.000) 5.070 7.388 ( 0.000 5.575 0.000) 5.575 7.414 ( 0.000 1.588 0.000) 1.588 7.634 ( 0.000 2.755 0.000) 2.755 7.650 ( 0.000 -1.471 0.000) 1.471 7.840 ( 0.000 -1.687 0.000) 1.687 7.869 ( 0.000 -1.471 0.000) 1.471 7.967 ( 0.000 6.021 0.000) 6.021 7.969 ( 0.000 -3.108 0.000) 3.108 8.075 ( 0.000 2.110 0.000) 2.110 8.116 ( 0.000 -3.315 0.000) 3.315 8.273 ( 0.000 -2.744 0.000) 2.744 8.411 ( 0.000 1.250 0.000) 1.250 8.678 ( 0.000 5.888 0.000) 5.888 8.825 ( 0.000 3.185 0.000) 3.185 8.835 ( 0.000 5.378 0.000) 5.378 8.913 ( 0.000 4.858 0.000) 4.858 9.194 ( 0.000 6.731 0.000) 6.731 9.210 ( 0.000 2.042 0.000) 2.042 9.342 ( 0.000 0.506 0.000) 0.506 9.419 ( 0.000 -0.404 0.000) 0.404 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.17 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -1.566 2.954 0.554) 3.389 0.930 ( 0.665 0.009 -0.160) 0.684 1.090 ( -0.407 6.843 -0.982) 6.925 1.171 ( 0.241 3.259 -0.353) 3.287 1.214 ( 0.752 4.007 1.832) 4.470 1.316 ( 0.631 2.780 -0.299) 2.866 1.331 ( 1.049 5.403 -0.850) 5.569 1.406 ( 0.304 4.165 -0.455) 4.200 1.554 ( -0.917 9.834 -0.389) 9.885 1.576 ( -0.266 2.885 0.748) 2.992 1.679 ( -0.678 3.296 1.317) 3.613 1.725 ( 0.457 1.164 -0.178) 1.263 1.769 ( -0.810 2.401 -1.374) 2.882 1.839 ( 0.867 3.003 1.043) 3.295 1.906 ( 2.699 2.002 0.775) 3.448 1.956 ( -2.105 3.093 -0.534) 3.779 1.995 ( 0.372 0.494 -0.074) 0.623 2.053 ( -2.413 0.628 0.430) 2.530 2.087 ( -3.536 -0.997 0.990) 3.805 2.178 ( -0.695 2.392 -2.585) 3.590 2.394 ( 6.897 9.036 -0.171) 11.369 2.459 ( 1.813 5.598 -0.877) 5.949 2.546 ( 0.712 -2.014 2.074) 2.977 2.716 ( 0.486 7.914 -0.331) 7.936 2.825 ( -0.866 4.891 0.098) 4.968 2.859 ( -3.919 1.701 -0.368) 4.288 3.086 ( -3.037 0.093 0.141) 3.042 3.141 ( 0.441 10.009 -0.041) 10.019 3.285 ( -2.416 8.524 0.589) 8.879 3.327 ( 0.225 9.713 -0.814) 9.749 3.774 ( 2.995 11.678 3.314) 12.503 3.880 ( -2.725 6.400 -3.486) 7.781 4.143 ( 1.824 2.063 -2.172) 3.507 4.197 ( 2.773 3.770 2.840) 5.474 4.520 ( 0.912 9.048 0.047) 9.094 4.672 ( -0.801 5.173 0.105) 5.235 4.730 ( -1.540 4.536 -0.234) 4.796 4.870 ( -0.811 3.008 -0.225) 3.123 5.050 ( -0.856 1.876 0.154) 2.067 5.355 ( -1.544 0.210 -0.155) 1.566 5.563 ( 0.438 -7.875 0.433) 7.899 5.570 ( 6.289 9.758 -0.411) 11.616 5.799 ( -3.231 -5.819 -0.085) 6.657 6.404 ( 0.406 1.005 -0.563) 1.221 6.459 ( -1.489 2.769 0.196) 3.150 6.564 ( 1.793 -0.340 0.752) 1.974 6.603 ( 3.430 0.586 0.055) 3.480 6.805 ( 0.485 2.223 -0.310) 2.296 6.881 ( 1.820 2.321 0.224) 2.958 7.035 ( -0.731 -1.870 -0.223) 2.020 7.268 ( -1.244 3.729 -0.408) 3.952 7.304 ( -2.883 0.593 -0.657) 3.016 7.392 ( 0.822 3.219 1.813) 3.785 7.409 ( -0.211 1.149 -1.328) 1.769 7.595 ( -2.195 0.009 0.635) 2.285 7.694 ( 1.997 -0.084 0.708) 2.121 7.836 ( -1.264 -0.796 0.308) 1.526 7.860 ( 0.370 -0.959 -0.498) 1.142 7.956 ( -1.641 4.821 1.552) 5.324 7.963 ( -0.114 -3.122 -2.240) 3.844 8.072 ( -0.239 -0.135 2.681) 2.695 8.103 ( -1.371 -2.973 -3.079) 4.495 8.284 ( 0.833 -0.333 1.462) 1.715 8.399 ( -0.668 1.793 -1.486) 2.422 8.682 ( -0.132 4.311 0.608) 4.356 8.766 ( -2.790 5.287 1.310) 6.120 8.853 ( -0.121 2.287 -2.583) 3.452 8.910 ( -0.957 4.684 1.498) 5.010 9.167 ( -1.836 1.411 -1.258) 2.635 9.205 ( 0.230 8.676 0.159) 8.680 9.349 ( -1.231 3.914 2.045) 4.584 9.431 ( 1.884 -2.736 -1.221) 3.540 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.33 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -1.441 3.720 0.296) 4.001 0.940 ( 0.253 0.704 0.074) 0.752 1.092 ( 1.043 5.943 -0.738) 6.079 1.160 ( -1.100 3.472 -0.644) 3.698 1.249 ( 1.909 3.559 2.461) 4.729 1.325 ( 0.215 -0.548 -1.094) 1.242 1.350 ( 1.074 6.478 -0.291) 6.573 1.409 ( 0.060 4.569 -0.759) 4.632 1.522 ( -1.565 8.962 -1.584) 9.235 1.582 ( 0.408 3.054 1.527) 3.439 1.700 ( 1.974 2.520 0.429) 3.230 1.732 ( 0.169 0.681 -1.527) 1.681 1.763 ( 0.957 1.729 1.212) 2.318 1.850 ( -0.465 1.793 1.347) 2.290 1.903 ( -2.582 3.261 0.015) 4.160 1.914 ( -2.519 3.937 -0.306) 4.685 2.005 ( 0.443 0.676 2.600) 2.723 2.025 ( 0.938 0.799 -0.459) 1.315 2.040 ( -1.783 -0.733 -0.270) 1.946 2.146 ( -2.019 2.031 -2.975) 4.129 2.500 ( 2.168 6.906 -0.645) 7.267 2.536 ( 6.340 7.040 0.135) 9.475 2.575 ( 2.427 -2.330 2.180) 4.009 2.731 ( 1.118 6.565 -0.289) 6.666 2.763 ( -5.078 -0.459 -1.126) 5.221 2.814 ( -0.716 4.858 0.272) 4.918 3.019 ( -3.409 2.019 0.021) 3.962 3.150 ( 0.476 11.425 -0.036) 11.435 3.234 ( -2.519 7.969 0.403) 8.367 3.305 ( -1.858 5.969 -0.843) 6.308 3.765 ( -3.982 6.131 2.211) 7.638 3.930 ( 7.543 15.743 -0.414) 17.462 4.140 ( -1.258 5.089 -3.970) 6.576 4.270 ( 2.868 4.501 2.966) 6.106 4.539 ( 0.945 3.799 0.105) 3.916 4.657 ( -0.579 8.937 0.039) 8.955 4.697 ( -1.666 2.243 -0.224) 2.803 4.875 ( 1.422 1.470 -0.379) 2.080 5.025 ( -1.816 -0.989 0.216) 2.080 5.315 ( -2.293 -0.116 -0.119) 2.299 5.565 ( -0.034 -7.745 0.057) 7.746 5.640 ( 0.372 4.445 -0.058) 4.461 5.783 ( 1.466 1.135 0.021) 1.854 6.401 ( -0.749 0.844 0.122) 1.135 6.454 ( 1.460 2.744 -0.363) 3.130 6.586 ( -0.668 1.682 0.419) 1.857 6.675 ( 4.303 -0.162 -0.187) 4.310 6.832 ( 1.422 0.589 0.163) 1.548 6.895 ( 0.943 -1.472 0.315) 1.776 7.070 ( 3.309 5.065 -0.236) 6.055 7.194 ( -4.978 0.790 -0.484) 5.064 7.255 ( -2.201 7.382 -0.569) 7.725 7.398 ( -0.531 1.204 0.613) 1.451 7.441 ( 3.186 0.519 -0.558) 3.276 7.562 ( -1.268 -0.501 1.305) 1.887 7.689 ( -2.687 -0.200 0.385) 2.722 7.803 ( -1.870 -0.752 -1.379) 2.442 7.873 ( 0.298 -0.505 0.303) 0.660 7.930 ( -0.609 1.327 4.435) 4.670 7.966 ( 0.863 -2.074 -3.871) 4.475 8.038 ( -2.788 -5.483 -0.200) 6.154 8.096 ( 0.699 0.927 -0.725) 1.369 8.294 ( -0.284 3.073 1.988) 3.671 8.399 ( 0.917 2.031 -1.958) 2.967 8.658 ( -1.844 3.408 0.449) 3.901 8.758 ( 0.969 4.282 1.289) 4.575 8.832 ( -1.163 0.351 -1.370) 1.831 8.882 ( -1.754 4.464 0.327) 4.808 9.147 ( -0.223 2.225 -0.643) 2.326 9.209 ( 0.049 9.262 0.143) 9.264 9.311 ( -2.150 7.157 0.665) 7.503 9.463 ( 1.144 -3.493 -0.282) 3.686 ======================= Grid point 31 (20/70) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 4.213 0.000) 4.213 0.942 ( 0.000 0.963 0.000) 0.963 1.119 ( 0.000 3.098 0.000) 3.098 1.133 ( -0.000 5.612 0.000) 5.612 1.275 ( 0.000 3.477 0.000) 3.477 1.324 ( 0.000 -0.742 0.000) 0.742 1.363 ( -0.000 5.301 -0.000) 5.301 1.406 ( 0.000 5.091 0.000) 5.091 1.503 ( 0.000 9.732 -0.000) 9.732 1.590 ( 0.000 0.898 0.000) 0.898 1.712 ( 0.000 3.598 0.000) 3.598 1.751 ( 0.000 -1.211 0.000) 1.211 1.796 ( 0.000 0.603 0.000) 0.603 1.807 ( -0.000 1.131 0.000) 1.131 1.880 ( -0.000 3.273 -0.000) 3.273 1.894 ( 0.000 8.072 0.000) 8.072 2.000 ( 0.000 0.733 0.000) 0.733 2.015 ( 0.000 -1.141 -0.000) 1.141 2.070 ( 0.000 1.030 0.000) 1.030 2.104 ( 0.000 1.407 -0.000) 1.407 2.520 ( 0.000 7.726 0.000) 7.726 2.593 ( 0.000 3.075 0.000) 3.075 2.654 ( 0.000 2.926 0.000) 2.926 2.668 ( -0.000 -3.895 0.000) 3.895 2.746 ( 0.000 5.552 -0.000) 5.552 2.807 ( 0.000 3.402 0.000) 3.402 2.982 ( 0.000 3.304 0.000) 3.304 3.156 ( 0.000 12.450 -0.000) 12.450 3.207 ( 0.000 8.038 0.000) 8.038 3.281 ( 0.000 5.863 0.000) 5.863 3.722 ( 0.000 7.175 0.000) 7.175 4.052 ( -0.000 15.927 -0.000) 15.927 4.085 ( 0.000 5.463 0.000) 5.463 4.300 ( 0.000 5.744 0.000) 5.744 4.550 ( 0.000 1.919 -0.000) 1.919 4.653 ( 0.000 8.615 0.000) 8.615 4.677 ( 0.000 2.614 0.000) 2.614 4.900 ( 0.000 0.259 0.000) 0.259 4.997 ( 0.000 -2.560 0.000) 2.560 5.288 ( 0.000 0.157 0.000) 0.157 5.564 ( 0.000 -6.814 0.000) 6.814 5.637 ( 0.000 0.636 0.000) 0.636 5.801 ( 0.000 4.176 0.000) 4.176 6.391 ( 0.000 1.754 0.000) 1.754 6.486 ( 0.000 0.030 0.000) 0.030 6.562 ( 0.000 4.450 0.000) 4.450 6.731 ( 0.000 -0.796 0.000) 0.796 6.826 ( 0.000 -1.904 -0.000) 1.904 6.949 ( 0.000 2.989 0.000) 2.989 7.062 ( -0.000 -0.653 -0.000) 0.653 7.168 ( 0.000 8.247 -0.000) 8.247 7.226 ( 0.000 6.639 0.000) 6.639 7.393 ( 0.000 1.768 -0.000) 1.768 7.475 ( 0.000 -1.115 0.000) 1.115 7.555 ( 0.000 0.015 0.000) 0.015 7.648 ( 0.000 -0.795 -0.000) 0.795 7.774 ( 0.000 -0.806 0.000) 0.806 7.873 ( 0.000 -0.503 0.000) 0.503 7.948 ( 0.000 -2.049 0.000) 2.049 7.957 ( -0.000 1.912 -0.000) 1.912 8.013 ( 0.000 -7.556 -0.000) 7.556 8.102 ( 0.000 0.753 0.000) 0.753 8.292 ( 0.000 4.711 0.000) 4.711 8.408 ( 0.000 1.761 0.000) 1.761 8.639 ( 0.000 3.829 0.000) 3.829 8.773 ( 0.000 2.687 0.000) 2.687 8.820 ( 0.000 0.243 0.000) 0.243 8.860 ( -0.000 4.446 0.000) 4.446 9.146 ( 0.000 1.973 0.000) 1.973 9.209 ( 0.000 9.625 -0.000) 9.625 9.289 ( 0.000 8.642 -0.000) 8.642 9.473 ( 0.000 -3.565 0.000) 3.565 ======================= Grid point 35 (21/70) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.000 0.753 0.000) 0.753 0.912 ( 0.000 -0.436 0.000) 0.436 1.189 ( 0.000 2.295 0.000) 2.295 1.211 ( 0.000 1.372 0.000) 1.372 1.289 ( 0.000 4.668 0.000) 4.668 1.321 ( 0.000 0.682 0.000) 0.682 1.445 ( 0.000 3.452 0.000) 3.452 1.464 ( 0.000 1.850 0.000) 1.850 1.567 ( 0.000 -1.694 0.000) 1.694 1.689 ( 0.000 -2.642 0.000) 2.642 1.735 ( 0.000 6.678 0.000) 6.678 1.775 ( 0.000 2.798 0.000) 2.798 1.797 ( 0.000 2.335 0.000) 2.335 1.941 ( 0.000 3.766 0.000) 3.766 1.971 ( 0.000 -0.013 0.000) 0.013 1.992 ( 0.000 8.845 0.000) 8.845 2.042 ( 0.000 3.061 0.000) 3.061 2.086 ( 0.000 -3.001 0.000) 3.001 2.091 ( 0.000 0.582 0.000) 0.582 2.199 ( 0.000 -0.467 0.000) 0.467 2.406 ( 0.000 -1.978 0.000) 1.978 2.493 ( 0.000 0.376 0.000) 0.376 2.502 ( 0.000 0.654 0.000) 0.654 2.699 ( 0.000 -13.209 0.000) 13.209 2.864 ( 0.000 5.903 0.000) 5.903 2.933 ( 0.000 3.449 0.000) 3.449 3.233 ( 0.000 7.865 0.000) 7.865 3.304 ( 0.000 6.933 0.000) 6.933 3.433 ( 0.000 3.679 0.000) 3.679 3.490 ( 0.000 3.495 0.000) 3.495 3.956 ( 0.000 8.195 0.000) 8.195 3.962 ( 0.000 3.227 0.000) 3.227 4.171 ( 0.000 5.024 0.000) 5.024 4.277 ( 0.000 4.932 0.000) 4.932 4.738 ( 0.000 10.082 0.000) 10.082 4.757 ( 0.000 5.957 0.000) 5.957 4.873 ( 0.000 5.745 0.000) 5.745 4.980 ( 0.000 5.601 0.000) 5.601 5.112 ( 0.000 2.171 0.000) 2.171 5.338 ( 0.000 -10.841 0.000) 10.841 5.400 ( 0.000 1.538 0.000) 1.538 5.710 ( 0.000 -6.925 0.000) 6.925 5.749 ( 0.000 13.990 0.000) 13.990 6.348 ( 0.000 -5.228 0.000) 5.228 6.497 ( 0.000 -0.016 0.000) 0.016 6.535 ( 0.000 0.069 0.000) 0.069 6.619 ( 0.000 3.920 0.000) 3.920 6.866 ( 0.000 -4.273 0.000) 4.273 6.874 ( 0.000 4.554 0.000) 4.554 7.054 ( 0.000 4.569 0.000) 4.569 7.250 ( 0.000 -2.948 0.000) 2.948 7.367 ( 0.000 3.945 0.000) 3.945 7.445 ( 0.000 1.427 0.000) 1.427 7.499 ( 0.000 5.096 0.000) 5.096 7.595 ( 0.000 -4.287 0.000) 4.287 7.669 ( 0.000 0.523 0.000) 0.523 7.808 ( 0.000 -1.035 0.000) 1.035 7.832 ( 0.000 -1.574 0.000) 1.574 7.924 ( 0.000 -1.640 0.000) 1.640 7.994 ( 0.000 -6.107 0.000) 6.107 8.070 ( 0.000 4.071 0.000) 4.071 8.112 ( 0.000 1.445 0.000) 1.445 8.284 ( 0.000 1.809 0.000) 1.809 8.411 ( 0.000 -1.082 0.000) 1.082 8.787 ( 0.000 4.981 0.000) 4.981 8.878 ( 0.000 2.097 0.000) 2.097 8.922 ( 0.000 3.280 0.000) 3.280 8.977 ( 0.000 1.695 0.000) 1.695 9.206 ( 0.000 0.770 0.000) 0.770 9.312 ( 0.000 -2.316 0.000) 2.316 9.357 ( 0.000 6.344 0.000) 6.344 9.448 ( 0.000 2.000 0.000) 2.000 ======================= Grid point 36 (22/70) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -0.582 1.331 0.177) 1.464 0.928 ( 1.168 -0.233 -0.132) 1.198 1.181 ( -0.574 2.536 -0.209) 2.608 1.218 ( 0.497 1.433 -0.010) 1.517 1.291 ( 0.220 4.201 0.695) 4.264 1.320 ( 0.009 0.690 -0.651) 0.949 1.444 ( -0.010 3.233 -0.425) 3.261 1.470 ( 0.495 1.861 0.313) 1.951 1.565 ( -0.257 -1.913 0.551) 2.008 1.687 ( -0.230 -2.444 -1.173) 2.720 1.728 ( -0.724 6.317 -0.408) 6.372 1.767 ( -0.427 3.858 0.051) 3.882 1.802 ( 0.289 1.733 1.712) 2.453 1.904 ( -2.610 2.077 0.253) 3.345 1.961 ( 0.911 2.566 -0.451) 2.760 2.021 ( -2.065 2.404 -0.216) 3.177 2.035 ( 0.184 3.468 0.214) 3.479 2.046 ( -2.923 -2.384 1.397) 4.023 2.079 ( -0.096 3.626 0.057) 3.628 2.195 ( -0.613 -0.282 -2.693) 2.776 2.431 ( 1.677 -5.025 1.308) 5.457 2.513 ( 2.524 1.383 -0.811) 2.990 2.543 ( 3.619 1.631 0.769) 4.043 2.699 ( -0.240 -10.910 -0.308) 10.917 2.857 ( -0.596 5.754 -0.309) 5.793 2.927 ( -0.972 3.128 0.331) 3.292 3.187 ( -3.950 7.280 -0.306) 8.289 3.306 ( 0.228 6.377 0.234) 6.385 3.407 ( -2.965 3.877 -0.325) 4.891 3.444 ( -3.078 2.676 0.114) 4.080 3.933 ( -1.215 5.953 2.178) 6.454 4.041 ( 5.314 6.154 -2.390) 8.475 4.200 ( 2.535 4.815 0.296) 5.450 4.300 ( 2.643 5.380 0.265) 6.000 4.704 ( -3.448 8.576 0.091) 9.244 4.748 ( -0.390 4.329 -0.034) 4.347 4.873 ( -0.063 7.910 -0.034) 7.910 4.950 ( -2.128 4.764 -0.174) 5.220 5.089 ( -2.498 1.669 -0.068) 3.006 5.354 ( 1.144 -7.631 -0.365) 7.725 5.387 ( -0.900 -0.484 0.475) 1.127 5.669 ( -3.573 -5.574 -0.101) 6.622 5.835 ( 7.313 12.679 0.044) 14.637 6.363 ( 1.054 -4.129 -0.140) 4.264 6.500 ( -0.304 1.200 0.268) 1.267 6.546 ( 1.815 -1.226 0.147) 2.195 6.639 ( 1.851 2.925 -0.068) 3.462 6.843 ( -1.886 -3.498 0.071) 3.974 6.880 ( 1.015 4.462 -0.532) 4.607 7.093 ( 3.870 4.712 0.378) 6.109 7.232 ( -1.912 -2.346 -0.133) 3.029 7.384 ( 1.374 3.544 0.485) 3.832 7.433 ( -0.972 1.215 -0.585) 1.662 7.480 ( -1.932 4.426 -0.087) 4.830 7.565 ( -1.804 -2.777 -0.204) 3.318 7.688 ( 0.613 -0.990 1.001) 1.535 7.809 ( -0.324 -1.192 0.422) 1.305 7.833 ( 0.268 -1.617 0.135) 1.644 7.910 ( -0.854 -1.870 -2.376) 3.142 7.973 ( -2.382 -4.532 1.649) 5.379 8.059 ( -1.213 3.845 -0.162) 4.035 8.110 ( 0.227 1.352 -0.221) 1.388 8.310 ( 2.174 1.783 0.180) 2.817 8.411 ( 0.191 -0.515 -0.422) 0.693 8.768 ( -2.016 4.122 0.394) 4.605 8.850 ( -2.277 3.013 2.567) 4.566 8.886 ( -2.597 1.326 -3.213) 4.339 8.968 ( -1.456 1.185 0.597) 1.969 9.197 ( 0.023 2.226 -0.441) 2.269 9.351 ( 2.011 -0.616 0.129) 2.107 9.364 ( 1.184 4.473 0.525) 4.657 9.442 ( -0.594 2.603 -0.302) 2.687 ======================= Grid point 37 (23/70) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.445 2.536 0.090) 2.577 0.947 ( 0.727 0.061 -0.047) 0.731 1.174 ( -0.037 2.759 -0.137) 2.763 1.224 ( 0.043 2.349 -0.105) 2.352 1.300 ( 0.435 1.926 1.036) 2.230 1.320 ( 0.160 1.191 -0.967) 1.542 1.444 ( 0.084 2.799 -0.364) 2.823 1.480 ( 0.382 1.773 0.275) 1.834 1.561 ( -0.139 -2.173 0.354) 2.206 1.668 ( -1.561 -0.466 -0.734) 1.787 1.714 ( -0.370 3.349 -0.569) 3.417 1.774 ( 1.161 3.692 -0.714) 3.935 1.805 ( -0.261 2.763 1.534) 3.171 1.875 ( -1.451 0.836 1.283) 2.110 1.952 ( -1.602 0.614 0.379) 1.756 1.978 ( -1.047 0.304 -0.131) 1.098 2.010 ( -1.310 -1.105 0.203) 1.726 2.041 ( 1.586 2.468 0.877) 3.062 2.086 ( 0.075 6.257 0.123) 6.259 2.160 ( -2.338 0.585 -3.476) 4.230 2.465 ( 1.921 -7.257 1.045) 7.579 2.571 ( 2.810 1.133 1.591) 3.422 2.617 ( 3.184 1.377 -0.735) 3.546 2.676 ( -2.123 -6.761 -0.611) 7.113 2.845 ( -0.378 4.620 -1.018) 4.746 2.894 ( -2.198 2.767 0.679) 3.598 3.113 ( -3.109 6.493 -0.249) 7.204 3.310 ( -0.176 3.442 0.384) 3.468 3.354 ( -1.109 5.713 -0.492) 5.841 3.402 ( -1.542 4.046 0.271) 4.338 3.898 ( -2.453 6.867 1.428) 7.431 4.118 ( 2.342 2.241 -1.411) 3.535 4.261 ( 3.922 8.118 -1.004) 9.072 4.367 ( 3.220 4.711 1.380) 5.871 4.635 ( -3.166 5.288 0.056) 6.164 4.743 ( -0.195 3.593 -0.065) 3.599 4.870 ( -0.362 10.281 0.019) 10.287 4.926 ( -0.138 3.430 -0.331) 3.448 5.025 ( -3.517 0.717 0.000) 3.589 5.342 ( -1.622 2.424 -0.132) 2.920 5.400 ( 1.359 -8.331 0.221) 8.444 5.605 ( -2.565 -4.484 -0.107) 5.167 5.950 ( 3.585 11.225 0.074) 11.784 6.378 ( 0.535 -2.850 0.303) 2.916 6.492 ( -0.262 1.314 -0.405) 1.399 6.592 ( 2.024 -0.555 0.292) 2.119 6.682 ( 2.477 1.087 -0.195) 2.712 6.812 ( -1.275 -2.235 0.442) 2.611 6.930 ( 4.638 4.644 -0.677) 6.598 7.159 ( -3.179 3.023 0.265) 4.395 7.202 ( 4.119 0.332 0.307) 4.144 7.385 ( -1.773 4.657 -0.033) 4.983 7.418 ( -0.174 1.107 -0.326) 1.168 7.461 ( 0.493 0.860 -0.646) 1.183 7.543 ( -0.211 -0.971 0.395) 1.069 7.669 ( -3.031 -2.028 0.910) 3.759 7.790 ( -1.480 -0.339 -0.461) 1.587 7.839 ( 0.098 -2.556 0.180) 2.564 7.898 ( 0.200 -2.012 -2.000) 2.844 7.926 ( -2.229 -2.328 2.397) 4.016 8.030 ( -1.328 3.680 -0.613) 3.960 8.117 ( 0.345 1.169 -0.098) 1.223 8.349 ( 1.557 2.199 0.265) 2.708 8.420 ( 0.647 0.070 -0.518) 0.832 8.726 ( -1.884 3.181 0.445) 3.724 8.819 ( -1.870 0.857 1.897) 2.799 8.839 ( -0.809 1.630 -1.990) 2.696 8.934 ( -1.852 0.841 -0.033) 2.035 9.201 ( 0.157 3.281 -0.185) 3.290 9.364 ( 0.243 5.046 -0.231) 5.057 9.399 ( 1.192 -1.268 0.881) 1.951 9.429 ( -0.540 3.745 -0.501) 3.817 ======================= Grid point 38 (24/70) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.000 3.050 0.000) 3.050 0.954 ( 0.000 0.245 0.000) 0.245 1.176 ( 0.000 2.606 0.000) 2.606 1.223 ( 0.000 3.135 0.000) 3.135 1.307 ( 0.000 0.056 0.000) 0.056 1.321 ( 0.000 1.804 -0.000) 1.804 1.445 ( 0.000 2.555 0.000) 2.555 1.483 ( 0.000 1.844 0.000) 1.844 1.562 ( 0.000 -2.670 -0.000) 2.670 1.645 ( 0.000 0.948 0.000) 0.948 1.711 ( 0.000 1.756 0.000) 1.756 1.784 ( 0.000 3.432 -0.000) 3.432 1.824 ( 0.000 0.891 0.000) 0.891 1.837 ( -0.000 3.445 0.000) 3.445 1.937 ( 0.000 1.541 0.000) 1.541 1.978 ( 0.000 -1.782 0.000) 1.782 1.996 ( 0.000 -0.644 -0.000) 0.644 2.071 ( 0.000 3.591 0.000) 3.591 2.091 ( -0.000 1.702 -0.000) 1.702 2.112 ( 0.000 4.238 0.000) 4.238 2.497 ( 0.000 -8.445 0.000) 8.445 2.603 ( 0.000 0.195 0.000) 0.195 2.633 ( 0.000 -2.951 -0.000) 2.951 2.654 ( 0.000 0.129 0.000) 0.129 2.842 ( 0.000 3.613 0.000) 3.613 2.869 ( 0.000 2.198 0.000) 2.198 3.082 ( 0.000 6.579 0.000) 6.579 3.304 ( 0.000 1.926 0.000) 1.926 3.353 ( 0.000 7.481 -0.000) 7.481 3.386 ( 0.000 4.716 0.000) 4.716 3.871 ( 0.000 7.581 0.000) 7.581 4.134 ( 0.000 -0.010 0.000) 0.010 4.308 ( 0.000 9.612 0.000) 9.612 4.402 ( 0.000 3.934 0.000) 3.934 4.602 ( 0.000 4.094 -0.000) 4.094 4.741 ( 0.000 3.013 0.000) 3.013 4.865 ( 0.000 11.294 0.000) 11.294 4.929 ( 0.000 2.636 0.000) 2.636 4.985 ( 0.000 0.917 0.000) 0.917 5.323 ( 0.000 3.053 0.000) 3.053 5.415 ( 0.000 -7.938 0.000) 7.938 5.580 ( 0.000 -4.462 -0.000) 4.462 5.979 ( 0.000 10.599 0.000) 10.599 6.384 ( 0.000 -2.474 0.000) 2.474 6.490 ( 0.000 0.965 0.000) 0.965 6.610 ( 0.000 1.270 0.000) 1.270 6.713 ( 0.000 -0.719 0.000) 0.719 6.798 ( 0.000 -1.248 -0.000) 1.248 7.033 ( 0.000 5.180 -0.000) 5.180 7.064 ( -0.000 0.811 0.000) 0.811 7.266 ( 0.000 1.873 -0.000) 1.873 7.361 ( 0.000 5.229 -0.000) 5.229 7.425 ( 0.000 1.173 -0.000) 1.173 7.461 ( 0.000 -0.311 0.000) 0.311 7.558 ( 0.000 0.283 0.000) 0.283 7.614 ( -0.000 -3.005 -0.000) 3.005 7.770 ( 0.000 0.694 0.000) 0.694 7.839 ( 0.000 -2.386 -0.000) 2.386 7.900 ( 0.000 -2.901 -0.000) 2.901 7.908 ( 0.000 -1.728 0.000) 1.728 8.016 ( 0.000 3.803 -0.000) 3.803 8.120 ( 0.000 0.996 0.000) 0.996 8.365 ( 0.000 2.619 0.000) 2.619 8.426 ( 0.000 0.089 0.000) 0.089 8.709 ( 0.000 2.942 0.000) 2.942 8.799 ( 0.000 -0.302 0.000) 0.302 8.835 ( 0.000 1.710 0.000) 1.710 8.912 ( -0.000 0.959 0.000) 0.959 9.202 ( 0.000 3.446 0.000) 3.446 9.365 ( 0.000 5.168 0.000) 5.168 9.410 ( 0.000 -1.939 0.000) 1.939 9.422 ( 0.000 4.840 0.000) 4.840 ======================= Grid point 42 (25/70) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 0.068 0.000) 0.068 0.912 ( 0.000 -0.211 0.000) 0.211 1.211 ( 0.000 0.482 0.000) 0.482 1.219 ( 0.000 -0.296 0.000) 0.296 1.351 ( 0.000 2.292 0.000) 2.292 1.373 ( 0.000 2.476 0.000) 2.476 1.440 ( 0.000 -1.355 0.000) 1.355 1.467 ( 0.000 -1.583 0.000) 1.583 1.577 ( 0.000 2.131 0.000) 2.131 1.627 ( 0.000 -3.014 0.000) 3.014 1.801 ( 0.000 1.822 0.000) 1.822 1.816 ( 0.000 0.780 0.000) 0.780 1.897 ( 0.000 5.584 0.000) 5.584 1.966 ( 0.000 1.198 0.000) 1.198 1.977 ( 0.000 -2.063 0.000) 2.063 2.014 ( 0.000 -3.299 0.000) 3.299 2.093 ( 0.000 2.311 0.000) 2.311 2.124 ( 0.000 0.344 0.000) 0.344 2.164 ( 0.000 7.598 0.000) 7.598 2.213 ( 0.000 4.618 0.000) 4.618 2.315 ( 0.000 -5.358 0.000) 5.358 2.410 ( 0.000 -10.816 0.000) 10.816 2.514 ( 0.000 0.830 0.000) 0.830 2.532 ( 0.000 -1.674 0.000) 1.674 2.951 ( 0.000 2.732 0.000) 2.732 2.972 ( 0.000 0.484 0.000) 0.484 3.370 ( 0.000 5.595 0.000) 5.595 3.403 ( 0.000 2.846 0.000) 2.846 3.467 ( 0.000 0.230 0.000) 0.230 3.488 ( 0.000 -2.261 0.000) 2.261 4.026 ( 0.000 2.624 0.000) 2.624 4.045 ( 0.000 1.167 0.000) 1.167 4.279 ( 0.000 4.984 0.000) 4.984 4.332 ( 0.000 0.066 0.000) 0.066 4.872 ( 0.000 6.285 0.000) 6.285 4.931 ( 0.000 8.452 0.000) 8.452 4.938 ( 0.000 0.236 0.000) 0.236 5.078 ( 0.000 1.860 0.000) 1.860 5.126 ( 0.000 -8.231 0.000) 8.231 5.133 ( 0.000 -0.285 0.000) 0.285 5.462 ( 0.000 4.500 0.000) 4.500 5.574 ( 0.000 -6.628 0.000) 6.628 6.009 ( 0.000 12.054 0.000) 12.054 6.213 ( 0.000 -8.581 0.000) 8.581 6.503 ( 0.000 0.681 0.000) 0.681 6.523 ( 0.000 -1.144 0.000) 1.144 6.701 ( 0.000 4.110 0.000) 4.110 6.779 ( 0.000 -4.037 0.000) 4.037 6.974 ( 0.000 5.246 0.000) 5.246 7.067 ( 0.000 -3.592 0.000) 3.592 7.287 ( 0.000 6.256 0.000) 6.256 7.399 ( 0.000 -2.337 0.000) 2.337 7.468 ( 0.000 0.901 0.000) 0.901 7.498 ( 0.000 -3.668 0.000) 3.668 7.586 ( 0.000 3.803 0.000) 3.803 7.649 ( 0.000 -2.416 0.000) 2.416 7.803 ( 0.000 0.339 0.000) 0.339 7.813 ( 0.000 -0.585 0.000) 0.585 7.904 ( 0.000 -0.340 0.000) 0.340 7.916 ( 0.000 -1.906 0.000) 1.906 8.122 ( 0.000 1.338 0.000) 1.338 8.130 ( 0.000 0.379 0.000) 0.379 8.326 ( 0.000 2.416 0.000) 2.416 8.375 ( 0.000 -2.384 0.000) 2.384 8.867 ( 0.000 2.999 0.000) 2.999 8.899 ( 0.000 -0.196 0.000) 0.196 8.967 ( 0.000 1.506 0.000) 1.506 8.986 ( 0.000 -0.455 0.000) 0.455 9.231 ( 0.000 1.699 0.000) 1.699 9.269 ( 0.000 -2.078 0.000) 2.078 9.446 ( 0.000 2.802 0.000) 2.802 9.471 ( 0.000 0.108 0.000) 0.108 ======================= Grid point 43 (26/70) ======================= q-point: ( 0.17 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 0.583 0.450 0.021) 0.737 0.923 ( 1.080 -0.278 -0.078) 1.118 1.210 ( 0.053 0.892 -0.015) 0.893 1.224 ( 0.492 -0.471 -0.021) 0.681 1.353 ( 0.270 2.634 -0.057) 2.648 1.375 ( 0.011 3.034 0.114) 3.037 1.440 ( -0.052 -2.131 0.280) 2.150 1.464 ( -0.413 -1.890 0.079) 1.936 1.570 ( -0.640 1.976 0.462) 2.127 1.620 ( -0.673 -3.214 -0.751) 3.369 1.801 ( 0.131 2.042 -0.854) 2.218 1.822 ( 0.483 0.396 1.311) 1.452 1.872 ( -2.158 4.923 0.244) 5.381 1.939 ( -1.809 2.349 -0.052) 2.965 1.956 ( -2.302 -3.121 0.437) 3.903 1.991 ( -1.580 -2.473 0.213) 2.942 2.064 ( -2.429 2.291 -0.932) 3.466 2.098 ( -1.909 0.397 -1.185) 2.281 2.166 ( -0.256 4.295 0.440) 4.325 2.234 ( 1.042 3.707 -0.277) 3.860 2.323 ( 1.277 -2.738 0.928) 3.160 2.451 ( 3.182 -9.365 0.234) 9.894 2.551 ( 3.231 0.196 0.341) 3.255 2.563 ( 2.798 -0.998 -0.823) 3.083 2.941 ( -1.072 2.621 -0.182) 2.837 2.962 ( -1.218 0.402 0.155) 1.292 3.315 ( -4.630 5.296 -0.466) 7.050 3.375 ( -3.301 -0.027 -0.198) 3.307 3.449 ( -1.412 1.309 -0.109) 1.928 3.466 ( -0.844 0.013 0.700) 1.097 4.031 ( 0.091 3.898 0.593) 3.944 4.081 ( 2.234 -0.914 -0.197) 2.421 4.313 ( 3.408 5.050 -0.206) 6.096 4.363 ( 3.030 0.360 -0.141) 3.054 4.827 ( -4.962 4.220 0.112) 6.514 4.842 ( -3.535 3.128 0.051) 4.720 5.010 ( 3.142 6.239 -0.110) 6.987 5.042 ( -3.169 4.134 -0.158) 5.211 5.099 ( -3.260 -0.912 -0.037) 3.385 5.164 ( 3.462 -8.991 0.159) 9.636 5.448 ( -1.338 4.427 0.087) 4.626 5.552 ( -2.015 -5.929 -0.026) 6.262 6.074 ( 5.360 10.889 0.075) 12.137 6.253 ( 3.097 -7.234 0.055) 7.869 6.512 ( 0.506 0.263 0.028) 0.571 6.522 ( 0.812 -0.980 -0.194) 1.287 6.706 ( 0.559 3.557 -0.062) 3.601 6.773 ( -0.483 -3.305 0.016) 3.340 6.986 ( 1.481 5.612 -0.243) 5.809 7.088 ( 2.164 -4.351 0.181) 4.862 7.281 ( -0.612 6.387 0.257) 6.421 7.398 ( -0.162 -3.457 0.362) 3.480 7.457 ( -0.901 1.175 -0.300) 1.510 7.483 ( -1.358 -2.345 -1.054) 2.908 7.574 ( -1.013 3.581 0.480) 3.752 7.643 ( -0.896 -3.231 0.761) 3.438 7.801 ( -0.203 0.414 -0.255) 0.527 7.813 ( -0.028 -0.612 -0.175) 0.637 7.894 ( -0.595 0.127 -1.024) 1.191 7.912 ( -0.730 -1.777 1.122) 2.225 8.116 ( -0.760 1.730 0.030) 1.889 8.129 ( 0.075 0.332 -0.019) 0.341 8.346 ( 1.819 1.951 -0.035) 2.667 8.385 ( 1.017 -1.900 -0.121) 2.159 8.836 ( -3.025 2.640 0.290) 4.025 8.869 ( -3.025 -0.691 0.674) 3.175 8.925 ( -2.750 2.350 -0.912) 3.731 8.964 ( -2.107 -1.375 -0.029) 2.516 9.248 ( 1.442 2.737 -0.100) 3.095 9.301 ( 2.278 -2.673 0.076) 3.512 9.451 ( 0.454 2.767 0.069) 2.805 9.474 ( 0.215 0.378 0.020) 0.435 ======================= Grid point 44 (27/70) ======================= q-point: ( 0.33 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.435 1.267 0.002) 1.339 0.943 ( 0.841 -0.497 -0.073) 0.979 1.215 ( 0.338 1.492 0.007) 1.530 1.235 ( 0.586 -0.583 -0.053) 0.828 1.358 ( 0.183 3.503 -0.515) 3.546 1.370 ( -0.555 3.756 0.558) 3.837 1.440 ( -0.038 -3.797 0.505) 3.831 1.451 ( -0.701 -2.670 -0.065) 2.761 1.559 ( -0.453 1.447 0.293) 1.544 1.599 ( -1.124 -3.090 -0.715) 3.365 1.804 ( 0.273 3.143 -0.671) 3.226 1.834 ( 0.150 -0.017 0.936) 0.948 1.842 ( -0.604 3.164 0.592) 3.275 1.910 ( -1.687 -3.102 0.932) 3.652 1.917 ( -0.642 3.269 -0.042) 3.332 1.974 ( -0.401 -1.846 0.364) 1.924 2.014 ( -2.227 1.790 -0.745) 2.953 2.057 ( -1.925 -1.772 -1.801) 3.176 2.159 ( -0.299 4.368 0.002) 4.378 2.243 ( 0.276 0.775 0.227) 0.854 2.354 ( 1.346 0.994 0.296) 1.700 2.495 ( 0.818 -8.503 0.151) 8.544 2.606 ( 2.355 0.484 -0.071) 2.405 2.621 ( 2.694 -0.760 0.197) 2.806 2.909 ( -1.893 1.948 -0.791) 2.829 2.924 ( -2.458 0.361 0.257) 2.497 3.236 ( -2.819 5.455 -0.272) 6.146 3.313 ( -2.095 -2.173 -0.064) 3.019 3.443 ( 0.354 2.653 0.141) 2.680 3.456 ( -0.328 1.188 0.550) 1.349 4.020 ( -1.159 5.273 0.474) 5.419 4.101 ( 0.067 -2.855 -0.474) 2.895 4.388 ( 3.731 4.235 -0.295) 5.652 4.425 ( 2.651 0.639 0.113) 2.730 4.736 ( -3.867 4.528 0.233) 5.959 4.786 ( -2.358 -0.051 0.146) 2.363 4.995 ( -1.292 3.101 -0.228) 3.367 5.031 ( -2.303 0.013 -0.796) 2.436 5.060 ( 1.237 8.352 0.622) 8.466 5.227 ( 2.609 -8.512 0.073) 8.903 5.417 ( -1.718 4.339 0.064) 4.667 5.510 ( -2.069 -4.987 -0.015) 5.399 6.153 ( 2.165 8.896 0.037) 9.156 6.295 ( 1.101 -5.619 0.169) 5.728 6.520 ( 0.838 1.954 -0.259) 2.141 6.565 ( 2.675 -2.152 0.094) 3.435 6.720 ( 0.746 2.473 -0.055) 2.584 6.768 ( -0.018 -2.282 0.051) 2.282 7.035 ( 3.543 5.431 -0.406) 6.498 7.131 ( 1.084 -4.036 0.329) 4.192 7.275 ( 0.509 5.782 0.472) 5.824 7.388 ( -0.803 -4.114 -0.145) 4.194 7.444 ( -0.358 0.720 -0.664) 1.042 7.459 ( -0.523 -0.675 -0.670) 1.085 7.555 ( -0.935 2.393 0.722) 2.668 7.611 ( -2.628 -3.110 0.472) 4.099 7.796 ( -0.213 0.888 -0.208) 0.937 7.812 ( 0.062 -0.673 -0.163) 0.695 7.882 ( -0.523 0.090 -0.548) 0.763 7.894 ( -1.070 -1.045 0.990) 1.794 8.099 ( -0.805 2.775 -0.127) 2.892 8.129 ( -0.053 -0.271 -0.059) 0.283 8.382 ( 1.667 1.379 -0.041) 2.163 8.407 ( 1.046 -1.130 -0.078) 1.542 8.777 ( -2.504 2.049 0.326) 3.252 8.808 ( -2.692 -1.149 0.069) 2.928 8.885 ( -1.297 2.312 -0.171) 2.657 8.924 ( -1.709 -1.491 -0.153) 2.273 9.268 ( 0.522 3.372 -0.071) 3.413 9.332 ( 0.805 -3.092 -0.028) 3.196 9.461 ( 0.412 2.669 0.098) 2.703 9.478 ( 0.197 0.860 0.018) 0.883 ======================= Grid point 45 (28/70) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 1.586 0.000) 1.586 0.951 ( 0.000 -0.542 0.000) 0.542 1.219 ( 0.000 1.722 0.000) 1.722 1.242 ( 0.000 -0.563 0.000) 0.563 1.356 ( 0.000 4.467 0.000) 4.467 1.365 ( 0.000 2.955 0.000) 2.955 1.440 ( -0.000 -4.398 0.000) 4.398 1.444 ( 0.000 -3.064 0.000) 3.064 1.555 ( 0.000 1.081 0.000) 1.081 1.586 ( 0.000 -2.658 0.000) 2.658 1.807 ( 0.000 4.616 0.000) 4.616 1.832 ( 0.000 1.169 -0.000) 1.169 1.841 ( 0.000 0.943 0.000) 0.943 1.897 ( 0.000 -3.434 0.000) 3.434 1.913 ( 0.000 3.693 -0.000) 3.693 1.972 ( 0.000 -1.892 0.000) 1.892 1.989 ( 0.000 1.449 -0.000) 1.449 2.031 ( 0.000 -2.949 0.000) 2.949 2.157 ( 0.000 5.145 0.000) 5.145 2.247 ( 0.000 0.977 0.000) 0.977 2.369 ( 0.000 0.222 0.000) 0.222 2.494 ( 0.000 -7.664 -0.000) 7.664 2.635 ( 0.000 0.599 -0.000) 0.599 2.647 ( 0.000 -0.616 0.000) 0.616 2.887 ( 0.000 1.152 0.000) 1.152 2.893 ( 0.000 0.442 0.000) 0.442 3.211 ( 0.000 5.875 0.000) 5.875 3.296 ( 0.000 -2.554 0.000) 2.554 3.449 ( -0.000 2.412 -0.000) 2.412 3.453 ( 0.000 1.830 -0.000) 1.830 4.005 ( 0.000 5.891 0.000) 5.891 4.098 ( 0.000 -3.432 0.000) 3.432 4.429 ( 0.000 3.118 0.000) 3.118 4.449 ( 0.000 0.815 0.000) 0.815 4.697 ( 0.000 4.797 -0.000) 4.797 4.762 ( 0.000 -1.269 0.000) 1.269 4.986 ( 0.000 2.498 0.000) 2.498 5.006 ( 0.000 0.491 -0.000) 0.491 5.075 ( 0.000 9.821 0.000) 9.821 5.254 ( 0.000 -8.529 0.000) 8.529 5.397 ( 0.000 4.264 0.000) 4.264 5.487 ( 0.000 -4.812 0.000) 4.812 6.169 ( 0.000 8.338 0.000) 8.338 6.304 ( 0.000 -5.482 0.000) 5.482 6.531 ( 0.000 3.079 0.000) 3.079 6.595 ( 0.000 -2.759 0.000) 2.759 6.728 ( 0.000 2.044 0.000) 2.044 6.769 ( 0.000 -1.816 -0.000) 1.816 7.095 ( -0.000 2.181 0.000) 2.181 7.116 ( 0.000 1.614 -0.000) 1.614 7.292 ( 0.000 2.929 -0.000) 2.929 7.380 ( 0.000 -3.433 -0.000) 3.433 7.439 ( 0.000 0.635 -0.000) 0.635 7.457 ( 0.000 -0.933 -0.000) 0.933 7.558 ( 0.000 -0.757 0.000) 0.757 7.562 ( -0.000 -0.115 -0.000) 0.115 7.794 ( 0.000 1.326 0.000) 1.326 7.813 ( 0.000 -0.703 0.000) 0.703 7.875 ( 0.000 -0.105 0.000) 0.105 7.884 ( 0.000 -0.795 0.000) 0.795 8.091 ( 0.000 3.208 -0.000) 3.208 8.128 ( 0.000 -0.553 0.000) 0.553 8.400 ( 0.000 1.140 0.000) 1.140 8.418 ( 0.000 -0.754 0.000) 0.754 8.753 ( 0.000 1.719 0.000) 1.719 8.781 ( 0.000 -1.217 0.000) 1.217 8.873 ( 0.000 1.928 0.000) 1.928 8.906 ( -0.000 -1.269 0.000) 1.269 9.272 ( 0.000 3.514 0.000) 3.514 9.338 ( 0.000 -3.201 0.000) 3.201 9.465 ( 0.000 2.619 0.000) 2.619 9.480 ( 0.000 1.070 0.000) 1.070 ======================= Grid point 91 (29/70) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( -4.952 0.000 13.106) 14.010 0.382 ( 0.586 0.000 18.440) 18.449 0.504 ( 4.245 0.000 1.722) 4.581 0.592 ( -0.353 0.000 15.681) 15.685 0.713 ( 0.131 0.000 -12.785) 12.785 0.861 ( 4.688 0.000 -0.214) 4.693 0.980 ( -1.497 0.000 -6.233) 6.410 1.043 ( 0.128 0.000 -0.347) 0.370 1.048 ( -1.118 0.000 -1.206) 1.645 1.105 ( -0.944 0.000 0.525) 1.081 1.298 ( 1.073 0.000 -8.599) 8.666 1.320 ( 0.805 0.000 5.310) 5.371 1.375 ( -1.613 0.000 0.097) 1.616 1.495 ( 0.326 0.000 -5.110) 5.121 1.504 ( -0.303 0.000 -2.948) 2.964 1.593 ( 0.170 0.000 0.863) 0.880 1.696 ( -0.015 0.000 -0.323) 0.323 1.726 ( -0.236 0.000 0.542) 0.592 1.898 ( 2.697 0.000 -0.984) 2.871 1.963 ( -0.134 0.000 0.287) 0.317 1.965 ( -2.555 0.000 -3.106) 4.022 2.085 ( 0.066 0.000 -0.108) 0.126 2.153 ( 3.626 0.000 3.901) 5.326 2.168 ( 0.608 0.000 0.500) 0.787 2.250 ( 0.006 0.000 0.028) 0.029 2.299 ( 0.074 0.000 5.156) 5.156 2.330 ( -0.005 0.000 -0.033) 0.034 2.413 ( -1.789 0.000 -0.113) 1.793 2.641 ( -2.163 0.000 3.757) 4.335 2.921 ( 3.351 0.000 -4.738) 5.803 3.838 ( 2.757 0.000 -0.338) 2.777 3.991 ( 0.080 0.000 0.469) 0.475 4.137 ( -0.413 0.000 -0.291) 0.505 4.400 ( 0.181 0.000 0.194) 0.265 4.463 ( 7.480 0.000 0.144) 7.482 4.713 ( 0.370 0.000 0.531) 0.647 4.860 ( 2.751 0.000 -1.366) 3.071 5.005 ( -1.706 0.000 1.548) 2.303 5.025 ( 0.011 0.000 0.027) 0.029 5.027 ( 9.658 0.000 -0.686) 9.682 5.313 ( -1.277 0.000 -0.221) 1.296 5.615 ( -0.170 0.000 0.457) 0.487 6.048 ( 0.025 0.000 0.012) 0.028 6.082 ( 0.054 0.000 -0.200) 0.207 6.083 ( -0.029 0.000 -0.003) 0.029 6.348 ( 6.179 0.000 0.730) 6.222 6.596 ( -2.063 0.000 -1.001) 2.293 6.675 ( 0.631 0.000 -1.056) 1.230 6.832 ( -0.062 0.000 -0.380) 0.385 7.128 ( 0.118 0.000 0.295) 0.317 7.181 ( -0.600 0.000 0.299) 0.670 7.207 ( -0.068 0.000 1.423) 1.425 7.300 ( 0.162 0.000 -1.223) 1.234 7.442 ( -0.051 0.000 -0.119) 0.130 7.451 ( 0.049 0.000 0.135) 0.143 7.484 ( 2.013 0.000 5.471) 5.830 7.620 ( -0.035 0.000 0.138) 0.143 7.626 ( -7.850 0.000 -5.547) 9.612 7.764 ( 2.725 0.000 -0.527) 2.775 7.931 ( -10.460 0.000 4.267) 11.297 8.044 ( 4.226 0.000 -4.518) 6.187 8.047 ( 0.000 0.000 -0.003) 0.003 8.157 ( 0.003 0.000 0.011) 0.011 8.342 ( -0.006 0.000 -0.022) 0.023 8.352 ( -2.574 0.000 2.886) 3.867 8.458 ( 1.460 0.000 -2.018) 2.491 8.632 ( -6.440 0.000 1.059) 6.526 8.723 ( 5.483 0.000 -0.978) 5.569 8.770 ( 2.128 0.000 0.619) 2.216 8.917 ( -1.056 0.000 -0.129) 1.064 9.511 ( 6.186 0.000 0.015) 6.186 9.608 ( -0.039 0.000 -0.010) 0.040 ======================= Grid point 92 (30/70) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 11.315 0.000 7.901) 13.801 0.549 ( 10.426 0.000 11.654) 15.637 0.657 ( 3.369 0.000 -8.400) 9.051 0.696 ( 7.986 0.000 4.187) 9.017 0.740 ( 4.652 0.000 -10.616) 11.590 0.938 ( 5.091 0.000 7.294) 8.895 1.039 ( 0.964 0.000 -1.121) 1.479 1.069 ( 2.142 0.000 0.848) 2.304 1.090 ( 15.095 0.000 -0.651) 15.109 1.107 ( 0.914 0.000 0.285) 0.957 1.265 ( -1.099 0.000 -0.490) 1.204 1.338 ( 1.258 0.000 -7.412) 7.518 1.350 ( 1.579 0.000 3.200) 3.569 1.494 ( -0.244 0.000 -2.210) 2.224 1.564 ( 7.688 0.000 -2.386) 8.050 1.596 ( -0.036 0.000 0.425) 0.426 1.696 ( 0.039 0.000 -0.236) 0.239 1.701 ( -3.176 0.000 0.165) 3.181 1.901 ( 0.510 0.000 -4.239) 4.269 1.905 ( -5.268 0.000 0.281) 5.276 1.976 ( 1.908 0.000 1.418) 2.377 2.066 ( -1.908 0.000 -0.049) 1.909 2.181 ( -0.758 0.000 -3.787) 3.863 2.255 ( 3.473 0.000 -3.954) 5.263 2.273 ( 1.871 0.000 0.080) 1.872 2.323 ( -0.033 0.000 5.211) 5.211 2.335 ( 0.497 0.000 -0.078) 0.503 2.384 ( -0.794 0.000 1.441) 1.645 2.608 ( -0.300 0.000 6.907) 6.913 2.909 ( -2.135 0.000 -4.011) 4.544 3.691 ( -11.892 0.000 -0.691) 11.912 3.905 ( -5.428 0.000 -1.663) 5.677 4.174 ( -15.487 0.000 -0.953) 15.516 4.249 ( 2.395 0.000 1.096) 2.634 4.442 ( -2.371 0.000 -3.222) 4.001 4.706 ( -5.071 0.000 1.017) 5.172 4.903 ( 9.027 0.000 -2.151) 9.280 4.972 ( -4.962 0.000 0.000) 4.962 4.977 ( 0.686 0.000 0.051) 0.688 5.168 ( 7.120 0.000 0.286) 7.126 5.454 ( -1.026 0.000 -3.101) 3.266 5.845 ( 17.416 0.000 -0.188) 17.417 5.976 ( -2.412 0.000 -0.002) 2.412 6.066 ( -1.421 0.000 -0.317) 1.456 6.229 ( 9.452 0.000 0.023) 9.452 6.425 ( -10.264 0.000 -0.758) 10.292 6.724 ( 15.998 0.000 -12.644) 20.392 6.805 ( 13.373 0.000 -9.784) 16.570 6.809 ( -2.281 0.000 -0.170) 2.288 7.042 ( -6.575 0.000 0.251) 6.580 7.209 ( 0.283 0.000 2.722) 2.737 7.210 ( 0.101 0.000 1.289) 1.293 7.297 ( -0.226 0.000 -1.333) 1.352 7.433 ( -9.141 0.000 5.087) 10.461 7.446 ( 0.431 0.000 0.033) 0.432 7.453 ( 0.083 0.000 -0.016) 0.084 7.534 ( 2.083 0.000 5.562) 5.939 7.609 ( -0.983 0.000 0.182) 0.999 7.699 ( -8.149 0.000 8.899) 12.066 7.816 ( 1.026 0.000 -5.329) 5.427 8.060 ( 1.265 0.000 -0.004) 1.265 8.127 ( 4.234 0.000 0.133) 4.236 8.159 ( 0.210 0.000 0.004) 0.210 8.298 ( -4.300 0.000 0.690) 4.355 8.337 ( -0.482 0.000 -0.007) 0.482 8.390 ( -5.119 0.000 2.711) 5.792 8.600 ( 0.305 0.000 3.939) 3.951 8.707 ( -0.451 0.000 -3.382) 3.412 8.864 ( 2.662 0.000 -1.594) 3.103 8.921 ( 0.621 0.000 1.016) 1.191 9.416 ( -5.197 0.000 -3.317) 6.166 9.698 ( 2.076 0.000 -0.246) 2.091 ======================= Grid point 93 (31/70) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 1.623 0.000 1.329) 2.098 0.658 ( 1.898 0.000 -4.218) 4.625 0.733 ( 6.245 0.000 4.447) 7.666 0.811 ( 3.063 0.000 -4.152) 5.159 0.887 ( 4.407 0.000 -2.080) 4.873 0.984 ( 2.262 0.000 2.538) 3.399 1.079 ( 3.282 0.000 -1.902) 3.793 1.088 ( -1.351 0.000 -0.570) 1.466 1.130 ( 3.351 0.000 1.930) 3.867 1.253 ( 3.044 0.000 5.841) 6.587 1.281 ( -0.034 0.000 -5.443) 5.444 1.397 ( 3.065 0.000 0.498) 3.105 1.484 ( -0.428 0.000 -0.828) 0.932 1.590 ( -0.902 0.000 0.225) 0.930 1.616 ( 18.849 0.000 9.451) 21.086 1.631 ( -0.029 0.000 -6.555) 6.555 1.691 ( -0.725 0.000 -0.121) 0.735 1.756 ( 9.910 0.000 0.756) 9.939 1.794 ( -5.258 0.000 0.134) 5.260 1.941 ( 1.688 0.000 -0.994) 1.959 2.016 ( 4.577 0.000 -1.329) 4.766 2.024 ( -2.012 0.000 0.002) 2.012 2.123 ( -3.144 0.000 -5.734) 6.539 2.242 ( -4.130 0.000 -1.577) 4.421 2.305 ( 1.212 0.000 0.328) 1.255 2.308 ( -1.414 0.000 -3.647) 3.911 2.346 ( 0.559 0.000 -0.283) 0.627 2.387 ( 1.213 0.000 3.162) 3.386 2.634 ( 0.489 0.000 5.123) 5.147 2.877 ( -1.198 0.000 0.364) 1.253 3.492 ( -8.300 0.000 3.794) 9.126 3.774 ( -9.525 0.000 -4.575) 10.567 3.855 ( -10.992 0.000 0.891) 11.028 4.294 ( 1.175 0.000 -0.658) 1.347 4.429 ( 0.109 0.000 0.498) 0.510 4.672 ( 0.739 0.000 -0.212) 0.769 4.870 ( -4.717 0.000 -0.018) 4.717 4.998 ( 0.776 0.000 -0.978) 1.249 5.003 ( 1.637 0.000 -0.197) 1.648 5.292 ( 5.125 0.000 0.245) 5.131 5.412 ( -1.384 0.000 0.019) 1.384 5.957 ( -0.068 0.000 -0.002) 0.068 6.035 ( -0.861 0.000 1.039) 1.350 6.115 ( 5.593 0.000 -0.278) 5.600 6.288 ( 1.510 0.000 -1.195) 1.925 6.406 ( 8.491 0.000 -0.019) 8.491 6.748 ( -3.931 0.000 0.092) 3.932 6.759 ( -10.811 0.000 -2.733) 11.151 6.860 ( 1.190 0.000 3.202) 3.416 7.081 ( 5.030 0.000 -9.214) 10.498 7.215 ( 0.151 0.000 1.180) 1.190 7.240 ( 3.856 0.000 0.055) 3.857 7.288 ( -0.341 0.000 -1.436) 1.476 7.335 ( -3.063 0.000 2.221) 3.784 7.452 ( -0.050 0.000 -0.270) 0.275 7.457 ( 0.531 0.000 0.259) 0.590 7.580 ( -0.306 0.000 -0.380) 0.488 7.590 ( -0.875 0.000 0.212) 0.900 7.593 ( -2.366 0.000 7.530) 7.892 7.857 ( 3.858 0.000 -3.551) 5.243 8.086 ( 1.142 0.000 0.003) 1.142 8.137 ( -4.619 0.000 0.466) 4.642 8.164 ( 0.341 0.000 -0.008) 0.342 8.256 ( 2.089 0.000 -2.302) 3.109 8.326 ( -0.576 0.000 0.011) 0.576 8.334 ( -1.636 0.000 3.548) 3.907 8.583 ( -1.661 0.000 0.497) 1.734 8.741 ( 3.167 0.000 -1.351) 3.443 8.869 ( -0.865 0.000 0.258) 0.902 8.924 ( -0.802 0.000 0.729) 1.084 9.368 ( -0.175 0.000 -1.291) 1.303 9.706 ( -0.508 0.000 0.256) 0.569 ======================= Grid point 94 (32/70) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.027 0.000 -0.076) 0.081 0.762 ( 1.645 0.000 -0.473) 1.711 0.778 ( -3.407 0.000 -5.331) 6.327 0.804 ( 0.574 0.000 0.839) 1.017 0.822 ( -1.111 0.000 -0.146) 1.120 1.060 ( 0.585 0.000 1.503) 1.613 1.103 ( 1.127 0.000 2.133) 2.413 1.127 ( 0.130 0.000 -0.865) 0.875 1.166 ( 0.763 0.000 0.218) 0.794 1.224 ( -4.578 0.000 0.427) 4.598 1.310 ( 4.108 0.000 -0.120) 4.110 1.441 ( -1.384 0.000 -0.357) 1.429 1.485 ( 1.425 0.000 -0.187) 1.437 1.563 ( -0.686 0.000 0.732) 1.003 1.631 ( -2.423 0.000 -3.145) 3.970 1.672 ( -0.046 0.000 0.134) 0.141 1.748 ( 0.267 0.000 -0.336) 0.429 1.846 ( 4.903 0.000 0.572) 4.936 1.887 ( -2.052 0.000 5.830) 6.181 1.963 ( 6.131 0.000 5.086) 7.966 2.003 ( 0.003 0.000 -0.002) 0.003 2.053 ( -1.343 0.000 -0.912) 1.623 2.127 ( -1.828 0.000 -7.373) 7.596 2.143 ( -0.494 0.000 -2.070) 2.128 2.234 ( -5.057 0.000 -4.571) 6.817 2.317 ( -0.094 0.000 0.533) 0.542 2.352 ( 0.076 0.000 -0.458) 0.464 2.434 ( 1.427 0.000 1.542) 2.101 2.737 ( -2.414 0.000 0.015) 2.414 2.762 ( 2.730 0.000 2.240) 3.531 3.467 ( 5.380 0.000 6.994) 8.824 3.600 ( -4.042 0.000 -4.320) 5.916 3.770 ( -0.696 0.000 -0.096) 0.702 4.301 ( -0.188 0.000 -0.730) 0.754 4.433 ( 0.336 0.000 0.564) 0.657 4.687 ( -0.330 0.000 0.180) 0.375 4.821 ( -0.006 0.000 -0.017) 0.018 4.983 ( -0.360 0.000 0.515) 0.628 5.029 ( 0.736 0.000 -1.681) 1.835 5.342 ( -0.283 0.000 0.543) 0.613 5.402 ( -0.024 0.000 0.033) 0.040 5.958 ( -0.000 0.000 -0.002) 0.002 6.030 ( 0.310 0.000 -0.232) 0.387 6.098 ( -0.274 0.000 -0.895) 0.936 6.476 ( 6.946 0.000 -0.333) 6.954 6.507 ( -0.088 0.000 -0.084) 0.122 6.513 ( -8.039 0.000 0.879) 8.087 6.693 ( 0.177 0.000 0.167) 0.243 6.887 ( -0.227 0.000 2.857) 2.866 7.078 ( -3.186 0.000 -1.582) 3.557 7.217 ( -0.244 0.000 1.218) 1.242 7.270 ( -0.352 0.000 2.539) 2.563 7.283 ( 0.183 0.000 -1.473) 1.484 7.356 ( 4.156 0.000 -6.147) 7.420 7.450 ( -0.105 0.000 -0.181) 0.210 7.464 ( 0.089 0.000 0.166) 0.188 7.522 ( -2.019 0.000 4.060) 4.535 7.582 ( -0.009 0.000 0.203) 0.203 7.642 ( 3.624 0.000 -1.920) 4.101 7.919 ( 1.668 0.000 -3.018) 3.448 8.049 ( -2.838 0.000 1.582) 3.249 8.097 ( 0.005 0.000 0.005) 0.007 8.168 ( -0.007 0.000 -0.010) 0.013 8.272 ( -1.528 0.000 -0.103) 1.531 8.320 ( 0.008 0.000 0.012) 0.014 8.335 ( 1.032 0.000 1.660) 1.955 8.567 ( 0.283 0.000 -0.208) 0.352 8.775 ( -0.138 0.000 -0.942) 0.952 8.864 ( 0.196 0.000 1.008) 1.027 8.906 ( -0.246 0.000 0.161) 0.294 9.371 ( 0.155 0.000 -0.635) 0.653 9.698 ( -0.168 0.000 0.300) 0.344 ======================= Grid point 95 (33/70) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -9.389 0.000 3.005) 9.858 0.642 ( 2.801 0.000 -2.615) 3.832 0.712 ( -9.612 0.000 4.564) 10.641 0.812 ( -0.962 0.000 -2.974) 3.126 0.851 ( -2.693 0.000 1.305) 2.992 1.014 ( -5.819 0.000 -0.223) 5.823 1.077 ( -2.847 0.000 -0.991) 3.014 1.088 ( 2.049 0.000 -0.670) 2.155 1.181 ( -0.582 0.000 -2.655) 2.718 1.189 ( -1.811 0.000 2.846) 3.373 1.343 ( -5.960 0.000 3.892) 7.118 1.378 ( -3.111 0.000 -5.717) 6.508 1.476 ( -7.522 0.000 6.656) 10.044 1.516 ( 1.106 0.000 -2.566) 2.794 1.576 ( 0.669 0.000 1.455) 1.602 1.690 ( 0.839 0.000 -0.049) 0.841 1.784 ( -9.305 0.000 1.902) 9.497 1.799 ( 5.207 0.000 -0.183) 5.211 1.862 ( -9.251 0.000 -8.773) 12.750 1.926 ( -5.663 0.000 -7.234) 9.187 2.017 ( -0.526 0.000 3.346) 3.387 2.024 ( 1.985 0.000 0.010) 1.985 2.053 ( 4.030 0.000 -2.411) 4.696 2.155 ( -2.504 0.000 4.607) 5.244 2.269 ( 7.934 0.000 0.413) 7.944 2.304 ( -1.298 0.000 0.382) 1.352 2.346 ( -0.492 0.000 -0.319) 0.586 2.445 ( 0.094 0.000 -1.168) 1.172 2.626 ( -0.406 0.000 4.519) 4.538 2.900 ( 0.792 0.000 -0.763) 1.100 3.612 ( 4.761 0.000 -3.978) 6.204 3.662 ( 10.922 0.000 3.047) 11.339 3.852 ( 11.438 0.000 0.684) 11.458 4.284 ( -1.553 0.000 0.021) 1.553 4.446 ( 0.588 0.000 -0.625) 0.858 4.655 ( -2.092 0.000 0.910) 2.281 4.870 ( 4.706 0.000 -0.001) 4.706 4.985 ( -0.824 0.000 -0.254) 0.862 5.015 ( -2.126 0.000 -0.947) 2.327 5.288 ( -5.169 0.000 0.515) 5.195 5.408 ( 0.517 0.000 0.322) 0.609 5.957 ( 0.068 0.000 -0.001) 0.068 6.030 ( -0.506 0.000 1.081) 1.194 6.136 ( -1.517 0.000 -1.289) 1.991 6.280 ( -4.444 0.000 -0.743) 4.506 6.405 ( -8.444 0.000 0.046) 8.444 6.683 ( 4.900 0.000 2.544) 5.521 6.752 ( 3.991 0.000 -0.170) 3.995 6.850 ( -3.797 0.000 3.197) 4.963 6.997 ( -2.773 0.000 -2.209) 3.545 7.212 ( -0.460 0.000 1.331) 1.409 7.273 ( 0.121 0.000 -2.657) 2.659 7.288 ( 0.568 0.000 -1.401) 1.512 7.404 ( 1.750 0.000 -1.134) 2.085 7.449 ( -0.005 0.000 0.057) 0.057 7.460 ( -0.479 0.000 -0.037) 0.481 7.547 ( 4.021 0.000 1.796) 4.403 7.591 ( 0.861 0.000 0.180) 0.880 7.730 ( 6.497 0.000 -3.913) 7.584 7.867 ( -4.756 0.000 -4.874) 6.810 8.081 ( 4.208 0.000 5.432) 6.872 8.086 ( -1.143 0.000 -0.005) 1.143 8.164 ( -0.344 0.000 0.005) 0.344 8.212 ( -4.203 0.000 1.758) 4.556 8.327 ( 0.583 0.000 -0.006) 0.583 8.359 ( 1.258 0.000 0.834) 1.509 8.589 ( 1.540 0.000 0.164) 1.549 8.734 ( -3.289 0.000 -0.899) 3.409 8.870 ( 0.320 0.000 0.137) 0.348 8.927 ( 1.536 0.000 0.614) 1.654 9.366 ( -0.411 0.000 -1.176) 1.246 9.699 ( -0.156 0.000 0.747) 0.763 ======================= Grid point 96 (34/70) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -5.973 0.000 13.662) 14.911 0.495 ( -12.682 0.000 11.560) 17.161 0.634 ( -10.265 0.000 -5.316) 11.560 0.740 ( -0.436 0.000 -0.261) 0.508 0.766 ( -2.504 0.000 -8.229) 8.602 0.878 ( -21.946 0.000 11.293) 24.681 0.996 ( -1.845 0.000 -0.755) 1.993 1.044 ( -0.564 0.000 -0.791) 0.972 1.111 ( -4.413 0.000 -4.019) 5.969 1.121 ( 0.088 0.000 0.399) 0.408 1.275 ( 0.705 0.000 -0.783) 1.054 1.300 ( -0.311 0.000 6.872) 6.879 1.444 ( -4.110 0.000 -3.787) 5.589 1.516 ( -0.234 0.000 -3.168) 3.177 1.566 ( -8.312 0.000 -9.745) 12.809 1.587 ( 0.271 0.000 1.282) 1.311 1.697 ( 0.045 0.000 -0.281) 0.284 1.739 ( -0.745 0.000 -3.690) 3.765 1.869 ( -0.629 0.000 -0.280) 0.688 1.909 ( 5.124 0.000 0.084) 5.125 2.009 ( -0.720 0.000 -0.939) 1.183 2.065 ( 1.883 0.000 0.004) 1.883 2.129 ( -1.165 0.000 7.419) 7.510 2.158 ( 4.007 0.000 0.169) 4.011 2.273 ( -1.844 0.000 0.118) 1.848 2.335 ( -0.509 0.000 -0.103) 0.519 2.354 ( -0.732 0.000 -2.875) 2.967 2.433 ( -0.870 0.000 -1.057) 1.369 2.657 ( 0.005 0.000 4.615) 4.615 2.858 ( -0.730 0.000 -0.990) 1.230 3.700 ( 5.686 0.000 -1.987) 6.024 3.854 ( 8.835 0.000 2.852) 9.284 4.166 ( 15.287 0.000 -0.115) 15.287 4.252 ( -0.185 0.000 0.877) 0.896 4.412 ( -3.910 0.000 -1.350) 4.136 4.674 ( 4.885 0.000 3.861) 6.227 4.871 ( -10.568 0.000 0.265) 10.572 4.972 ( 4.966 0.000 0.023) 4.966 4.984 ( -0.695 0.000 -0.468) 0.838 5.152 ( -9.242 0.000 1.533) 9.368 5.416 ( -0.233 0.000 -0.279) 0.363 5.862 ( -17.672 0.000 -1.413) 17.728 5.976 ( 2.409 0.000 0.000) 2.409 6.069 ( 0.853 0.000 -0.604) 1.045 6.228 ( -9.424 0.000 0.029) 9.424 6.383 ( 5.322 0.000 2.336) 5.812 6.578 ( -9.270 0.000 -2.061) 9.496 6.785 ( -5.099 0.000 -1.657) 5.361 6.813 ( 2.211 0.000 -0.384) 2.245 7.042 ( 5.899 0.000 0.311) 5.907 7.207 ( -0.264 0.000 1.438) 1.462 7.245 ( -2.930 0.000 -2.039) 3.570 7.296 ( 0.463 0.000 -1.262) 1.344 7.438 ( 1.958 0.000 2.237) 2.973 7.448 ( -0.317 0.000 -0.100) 0.333 7.451 ( -0.179 0.000 0.127) 0.220 7.610 ( 0.935 0.000 0.141) 0.946 7.659 ( 6.740 0.000 -1.797) 6.975 7.757 ( -5.143 0.000 -4.004) 6.518 7.880 ( 9.189 0.000 -7.367) 11.778 8.060 ( -1.269 0.000 -0.006) 1.269 8.102 ( -5.017 0.000 1.093) 5.135 8.159 ( -0.205 0.000 0.013) 0.205 8.261 ( 11.107 0.000 7.979) 13.676 8.338 ( 0.476 0.000 -0.023) 0.476 8.393 ( 1.997 0.000 1.635) 2.581 8.600 ( -0.615 0.000 5.431) 5.466 8.690 ( 0.039 0.000 -3.658) 3.658 8.850 ( -3.384 0.000 -0.538) 3.426 8.944 ( -0.283 0.000 -0.821) 0.868 9.368 ( 2.007 0.000 0.449) 2.056 9.677 ( -2.791 0.000 1.591) 3.212 ======================= Grid point 97 (35/70) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 1.360 9.476 7.611) 12.230 0.426 ( 0.021 12.493 4.842) 13.398 0.618 ( -0.040 7.995 -5.366) 9.629 0.687 ( 1.250 1.313 -9.891) 10.055 0.864 ( -4.409 13.924 8.739) 17.020 0.882 ( 2.131 2.844 3.156) 4.753 1.034 ( 3.485 4.467 -1.771) 5.936 1.073 ( -0.671 5.920 1.813) 6.228 1.193 ( 0.925 13.789 2.829) 14.106 1.223 ( 0.400 4.926 -1.326) 5.117 1.351 ( -3.990 0.022 0.854) 4.081 1.366 ( 1.455 8.139 -3.067) 8.819 1.461 ( -0.211 12.427 1.353) 12.502 1.518 ( -0.445 5.556 -4.951) 7.456 1.599 ( -0.271 8.412 -2.415) 8.756 1.686 ( 0.918 4.976 -0.133) 5.062 1.703 ( -0.152 1.291 0.358) 1.348 1.792 ( -0.061 7.616 -2.304) 7.957 1.883 ( 2.131 0.172 -1.990) 2.920 1.947 ( -1.998 -0.937 -2.644) 3.444 2.030 ( -0.172 2.933 1.119) 3.143 2.093 ( 1.547 0.066 0.310) 1.579 2.098 ( -0.023 -0.763 0.292) 0.817 2.200 ( 1.191 6.064 4.280) 7.517 2.361 ( 2.028 9.125 3.325) 9.922 2.416 ( -3.607 7.861 0.766) 8.683 2.439 ( 0.381 8.953 0.401) 8.970 2.497 ( 0.386 8.478 -3.105) 9.037 2.630 ( -2.045 3.081 2.930) 4.718 2.894 ( 1.727 0.391 -0.663) 1.891 3.769 ( 1.242 -5.241 1.433) 5.574 3.975 ( 0.011 -1.450 0.561) 1.555 4.140 ( -0.160 0.410 -0.099) 0.451 4.315 ( -0.699 -7.849 0.614) 7.904 4.360 ( 3.412 -5.295 1.387) 6.450 4.665 ( -1.001 -4.017 1.591) 4.435 4.680 ( 1.018 -2.594 0.270) 2.799 4.910 ( -0.935 -2.757 -1.090) 3.108 4.977 ( 0.990 -2.816 0.486) 3.024 5.279 ( 0.196 -2.392 -0.141) 2.404 5.358 ( 0.829 7.571 -1.663) 7.796 5.663 ( -0.074 7.671 0.323) 7.678 6.038 ( 0.077 -4.242 -0.178) 4.246 6.163 ( 0.978 3.477 0.419) 3.636 6.317 ( -4.910 2.661 1.044) 5.682 6.388 ( 6.646 12.175 -6.298) 15.234 6.548 ( -1.850 -1.608 -0.270) 2.466 6.715 ( 0.756 4.656 -1.159) 4.858 6.807 ( 1.222 -2.917 0.170) 3.167 7.093 ( -0.532 -4.843 0.784) 4.935 7.154 ( -0.373 2.903 0.152) 2.930 7.239 ( 0.715 1.154 -0.332) 1.397 7.379 ( -0.824 3.948 -0.322) 4.046 7.438 ( -1.511 3.515 2.961) 4.838 7.472 ( 1.254 2.357 0.672) 2.753 7.549 ( 0.127 4.567 2.167) 5.057 7.625 ( -2.123 2.962 -1.905) 4.112 7.715 ( -0.917 3.192 1.862) 3.808 7.777 ( 2.070 1.361 -4.584) 5.210 7.879 ( -1.914 -2.063 -2.935) 4.066 7.986 ( 0.401 0.326 -0.279) 0.588 8.171 ( 0.631 4.361 1.778) 4.751 8.277 ( 1.962 6.942 -0.423) 7.226 8.337 ( -3.354 0.017 1.840) 3.826 8.407 ( -1.072 3.696 -1.124) 4.009 8.474 ( 2.165 4.310 0.589) 4.859 8.719 ( 5.284 0.857 -0.182) 5.356 8.732 ( -6.753 0.558 -0.933) 6.840 8.869 ( 2.427 -0.525 -0.417) 2.517 8.914 ( -2.816 9.451 -9.249) 13.520 9.463 ( 4.486 -3.920 1.772) 6.215 9.586 ( -0.851 -2.179 -0.117) 2.342 ======================= Grid point 98 (36/70) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 5.718 0.696 7.718) 9.631 0.589 ( 10.066 5.187 -1.432) 11.415 0.690 ( 2.149 6.340 -3.588) 7.595 0.712 ( 9.036 4.433 -5.774) 11.604 0.857 ( 2.473 5.928 -0.833) 6.477 0.938 ( 1.641 1.594 4.364) 4.928 1.064 ( -0.413 3.623 1.348) 3.888 1.110 ( 3.658 4.053 -1.844) 5.762 1.208 ( -1.741 4.155 -1.121) 4.643 1.260 ( 1.490 7.382 1.808) 7.744 1.336 ( 7.522 12.876 9.558) 17.712 1.409 ( 3.277 11.961 -8.509) 15.040 1.476 ( 1.966 8.746 2.574) 9.326 1.563 ( 5.224 2.755 -1.272) 6.041 1.588 ( -0.327 8.364 -1.971) 8.600 1.690 ( -1.705 0.322 1.723) 2.445 1.729 ( 2.749 10.173 -1.705) 10.675 1.796 ( 1.147 7.724 -2.859) 8.316 1.867 ( -1.502 -0.079 -3.077) 3.425 1.927 ( -1.090 -1.519 -0.904) 2.077 1.985 ( -0.546 2.785 1.311) 3.126 2.084 ( -1.289 0.362 -0.657) 1.491 2.188 ( 5.094 0.058 -1.652) 5.356 2.258 ( 2.509 4.834 -1.038) 5.544 2.313 ( -4.665 6.298 0.007) 7.838 2.395 ( -0.387 6.975 6.288) 9.399 2.478 ( 0.573 9.699 -3.239) 10.241 2.515 ( 2.186 9.682 -0.672) 9.948 2.617 ( 0.408 4.570 6.595) 8.034 2.909 ( 0.158 1.301 -2.405) 2.738 3.651 ( -11.015 -3.872 -0.483) 11.686 3.867 ( -6.489 -2.721 0.128) 7.038 4.146 ( -15.196 -2.423 -0.103) 15.388 4.216 ( 3.080 -2.476 -0.020) 3.952 4.394 ( 1.761 -2.750 -1.497) 3.592 4.633 ( -1.406 -4.756 0.205) 4.964 4.811 ( 8.477 -5.435 0.923) 10.112 4.908 ( 2.039 -3.043 -0.863) 3.763 5.104 ( 7.309 -2.498 0.164) 7.726 5.252 ( -4.486 11.492 -0.277) 12.340 5.383 ( 1.672 -3.842 -0.879) 4.282 5.762 ( 9.978 -1.002 0.274) 10.032 6.019 ( -1.712 -4.386 -0.077) 4.709 6.107 ( -4.289 9.267 -0.549) 10.227 6.299 ( 3.678 -1.927 1.048) 4.283 6.438 ( -4.212 4.202 -0.589) 5.979 6.619 ( 4.263 -3.484 -3.902) 6.748 6.717 ( 2.861 -3.078 -1.219) 4.375 6.898 ( 7.466 2.078 -2.747) 8.223 7.092 ( -0.749 -1.689 0.811) 2.018 7.120 ( -1.514 2.998 0.228) 3.366 7.245 ( -0.352 0.457 -0.888) 1.059 7.355 ( -1.860 2.347 0.272) 3.008 7.408 ( -2.496 2.943 3.787) 5.407 7.502 ( 1.380 3.693 -0.814) 4.025 7.516 ( -2.407 0.534 1.641) 2.962 7.617 ( 1.108 6.903 1.473) 7.145 7.687 ( -1.929 6.540 1.466) 6.975 7.775 ( -5.694 4.282 -1.584) 7.298 7.789 ( 0.162 -0.241 -3.638) 3.649 8.064 ( 5.680 -1.065 -0.460) 5.797 8.161 ( -2.601 1.784 0.569) 3.205 8.266 ( -1.180 9.088 0.908) 9.210 8.302 ( -0.481 0.316 0.164) 0.599 8.384 ( -1.375 3.033 -0.058) 3.331 8.473 ( -1.782 7.356 0.030) 7.569 8.633 ( -3.356 1.629 1.129) 3.898 8.756 ( -2.388 5.154 0.180) 5.683 8.867 ( 1.280 -0.194 -1.856) 2.263 8.896 ( 0.336 -0.041 -0.216) 0.401 9.380 ( -5.515 -3.256 -2.670) 6.939 9.657 ( 2.766 -3.533 0.609) 4.527 ======================= Grid point 99 (37/70) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 2.361 -0.372 0.373) 2.419 0.669 ( 2.955 2.572 -3.816) 5.469 0.814 ( 6.873 4.791 2.214) 8.666 0.861 ( 4.392 5.246 -2.899) 7.430 0.909 ( 0.396 1.908 -3.116) 3.675 0.982 ( 4.837 2.555 3.155) 6.315 1.052 ( -1.111 1.196 -0.396) 1.680 1.122 ( -1.613 0.335 0.054) 1.649 1.219 ( 4.250 6.686 0.734) 7.956 1.279 ( 1.034 2.322 0.868) 2.686 1.434 ( -0.854 12.542 0.177) 12.572 1.498 ( 1.797 8.793 -0.106) 8.976 1.550 ( 4.768 2.880 1.421) 5.749 1.569 ( -1.522 5.368 -0.028) 5.580 1.658 ( 5.630 4.622 -1.565) 7.451 1.690 ( 0.948 4.528 2.496) 5.257 1.783 ( 0.237 3.985 1.296) 4.198 1.810 ( 1.420 2.623 1.235) 3.228 1.844 ( 4.126 9.718 -1.043) 10.609 1.986 ( 1.614 3.906 -1.004) 4.344 2.002 ( 4.641 -1.971 -0.681) 5.088 2.070 ( 1.270 1.819 -3.595) 4.225 2.204 ( -4.618 7.698 -2.666) 9.365 2.257 ( 1.369 3.853 -1.517) 4.361 2.294 ( 0.164 4.949 -1.677) 5.228 2.346 ( -2.834 5.053 1.979) 6.122 2.508 ( -0.807 11.270 -1.269) 11.370 2.522 ( 1.440 10.438 0.771) 10.565 2.661 ( 3.023 4.066 4.915) 7.059 2.911 ( -0.328 3.965 0.047) 3.979 3.453 ( -8.094 -3.499 3.098) 9.346 3.743 ( -7.300 -2.743 -3.884) 8.712 3.851 ( -12.020 0.600 1.741) 12.160 4.251 ( 1.173 -3.445 -1.156) 3.819 4.412 ( -0.183 -0.997 1.049) 1.459 4.643 ( 2.279 -2.289 -0.802) 3.328 4.914 ( 1.877 -6.489 -0.064) 6.755 4.949 ( 1.807 -0.943 -0.209) 2.049 5.109 ( -4.666 13.527 -0.355) 14.313 5.259 ( 4.326 -2.569 0.257) 5.037 5.393 ( 0.043 -1.201 0.050) 1.202 5.966 ( 6.623 -6.110 1.174) 9.087 5.994 ( 1.274 -5.046 -0.758) 5.259 6.076 ( 0.904 8.338 -0.118) 8.388 6.240 ( -4.058 -2.406 -1.011) 4.824 6.508 ( -3.970 -9.581 0.157) 10.372 6.541 ( 4.337 5.957 0.406) 7.380 6.806 ( 1.627 -1.051 -1.628) 2.530 6.958 ( -2.340 2.932 1.844) 4.180 7.073 ( 1.901 -1.965 -0.384) 2.761 7.165 ( 2.546 2.609 -3.756) 5.235 7.217 ( -0.744 -2.085 0.296) 2.233 7.317 ( -1.234 0.177 -1.263) 1.775 7.356 ( -3.239 2.177 1.907) 4.344 7.485 ( -0.453 2.570 2.217) 3.424 7.545 ( 2.221 4.459 -0.532) 5.010 7.647 ( 1.117 6.803 0.849) 6.947 7.653 ( -1.483 8.152 2.146) 8.559 7.689 ( -2.914 6.978 -1.336) 7.680 7.795 ( 1.215 -3.506 -2.682) 4.578 8.086 ( -4.039 -1.035 0.263) 4.178 8.169 ( 4.668 0.274 -0.151) 4.678 8.273 ( -0.012 6.029 1.522) 6.219 8.288 ( -0.062 3.772 -1.815) 4.187 8.366 ( -0.636 4.180 0.235) 4.234 8.427 ( -2.299 10.903 1.420) 11.233 8.584 ( -2.045 0.222 0.047) 2.057 8.733 ( 0.397 -0.159 -0.926) 1.020 8.866 ( -0.856 -0.115 -0.291) 0.912 8.902 ( -0.327 -1.586 1.120) 1.969 9.321 ( -0.810 -4.305 -1.241) 4.553 9.679 ( 0.036 -2.546 0.376) 2.573 ======================= Grid point 100 (38/70) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.529 -0.112 -1.287) 1.396 0.764 ( 3.340 1.197 -4.543) 5.764 0.798 ( -4.799 3.988 -0.329) 6.249 0.877 ( -1.205 4.818 0.471) 4.988 0.912 ( 0.340 7.538 -0.135) 7.547 1.032 ( -0.077 -1.116 0.279) 1.153 1.079 ( -0.540 -1.601 -0.278) 1.712 1.101 ( 1.074 1.691 2.147) 2.936 1.305 ( 1.921 7.688 0.462) 7.938 1.325 ( 4.587 4.149 1.272) 6.314 1.344 ( -5.725 8.436 -0.031) 10.195 1.502 ( -1.004 4.730 -0.579) 4.870 1.551 ( 0.587 1.939 -0.171) 2.033 1.626 ( 2.326 8.117 -0.661) 8.469 1.648 ( -2.728 4.764 -0.165) 5.492 1.735 ( -1.008 4.370 2.271) 5.027 1.780 ( 3.026 5.167 -2.132) 6.356 1.902 ( 2.108 -1.951 1.872) 3.429 1.945 ( 3.043 7.314 4.246) 8.988 1.959 ( -1.617 4.720 1.417) 5.186 2.045 ( 1.116 -2.636 -3.262) 4.340 2.070 ( -4.049 0.954 -3.915) 5.712 2.135 ( -2.611 6.995 0.106) 7.467 2.228 ( 0.914 10.066 -1.296) 10.190 2.283 ( -0.966 6.553 -1.179) 6.728 2.369 ( 1.135 1.524 -1.528) 2.439 2.471 ( -0.585 12.212 -0.687) 12.245 2.541 ( -0.147 9.560 1.178) 9.634 2.790 ( -0.614 2.982 1.786) 3.530 2.823 ( 0.851 8.718 0.025) 8.760 3.438 ( 5.789 -2.375 7.020) 9.404 3.575 ( -5.345 -1.924 -6.363) 8.530 3.766 ( 0.299 0.348 1.972) 2.025 4.261 ( 0.004 -3.293 -1.224) 3.513 4.409 ( 0.159 -1.761 1.024) 2.043 4.672 ( -0.312 -0.967 -0.315) 1.064 4.917 ( -0.075 -6.411 -0.074) 6.411 4.969 ( 0.237 3.222 -0.243) 3.240 5.061 ( 0.112 11.256 -0.631) 11.274 5.304 ( -0.225 -3.675 0.530) 3.720 5.394 ( -0.023 -0.314 0.047) 0.318 5.978 ( 0.132 -4.846 0.000) 4.847 6.050 ( 0.352 -3.482 -0.293) 3.512 6.073 ( -0.209 10.359 -0.069) 10.362 6.300 ( -1.074 -13.004 -0.153) 13.049 6.344 ( 0.746 -4.328 -0.554) 4.427 6.693 ( 1.617 5.780 1.256) 6.132 6.737 ( -2.188 2.280 -0.528) 3.204 6.941 ( -0.163 2.560 2.370) 3.493 7.099 ( -4.865 -1.893 1.482) 5.427 7.132 ( 3.599 -1.640 -0.651) 4.008 7.245 ( -1.238 -1.805 -1.622) 2.724 7.287 ( -0.760 -0.048 0.607) 0.974 7.357 ( 3.771 1.706 -4.672) 6.242 7.488 ( 0.016 3.657 3.863) 5.319 7.571 ( 0.020 7.123 -1.683) 7.319 7.623 ( -1.370 7.522 1.409) 7.774 7.647 ( -0.495 6.074 -0.267) 6.100 7.691 ( 2.520 5.153 -0.689) 5.777 7.817 ( 1.129 -4.394 -2.838) 5.351 8.029 ( -1.576 -1.097 1.996) 2.769 8.236 ( 1.794 0.323 0.272) 1.843 8.245 ( -2.185 2.499 -0.562) 3.367 8.293 ( -0.088 9.029 -0.069) 9.030 8.360 ( 0.020 4.736 0.147) 4.738 8.408 ( 0.071 9.736 1.135) 9.802 8.563 ( 0.128 -0.185 -0.544) 0.588 8.741 ( 0.140 -2.580 -0.937) 2.749 8.857 ( -0.135 -0.634 0.790) 1.021 8.894 ( -0.017 -0.804 0.325) 0.867 9.317 ( 0.074 -4.954 -0.574) 4.988 9.677 ( -0.111 -2.055 0.291) 2.078 ======================= Grid point 101 (39/70) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -6.128 4.644 1.046) 7.760 0.622 ( -0.179 1.001 -4.549) 4.661 0.754 ( -9.943 3.515 4.347) 11.407 0.863 ( -1.906 1.749 1.369) 2.926 0.901 ( -0.189 6.064 -2.906) 6.727 1.011 ( -3.840 2.420 -0.036) 4.539 1.048 ( 1.066 -0.848 0.479) 1.444 1.118 ( -0.730 2.312 -0.218) 2.434 1.226 ( -4.128 5.080 -0.021) 6.545 1.325 ( 0.401 5.324 -2.141) 5.752 1.432 ( 2.953 8.573 0.431) 9.078 1.467 ( -5.442 10.028 1.607) 11.522 1.498 ( -6.109 4.923 2.862) 8.351 1.594 ( 1.492 5.114 -1.619) 5.567 1.660 ( -0.082 6.562 1.528) 6.738 1.750 ( 0.892 3.861 -2.315) 4.589 1.815 ( -6.771 3.541 1.726) 7.834 1.818 ( 1.172 4.610 -1.739) 5.065 1.912 ( -6.130 2.984 -1.101) 6.906 1.940 ( -5.948 1.329 -3.093) 6.835 1.986 ( 0.626 1.660 -0.534) 1.853 2.046 ( -0.176 0.143 -1.957) 1.970 2.130 ( 2.466 4.862 2.937) 6.193 2.254 ( -0.996 10.557 0.526) 10.617 2.273 ( 0.224 5.594 -0.404) 5.613 2.377 ( 2.643 4.804 -1.250) 5.623 2.499 ( 2.123 11.369 -0.148) 11.566 2.530 ( -1.073 8.959 0.556) 9.040 2.669 ( -2.801 4.919 3.451) 6.629 2.922 ( 0.062 2.956 -0.521) 3.002 3.551 ( 4.670 -5.133 -3.467) 7.757 3.644 ( 10.555 -1.495 3.252) 11.146 3.864 ( 10.897 1.521 0.432) 11.011 4.245 ( -1.419 -3.202 -0.710) 3.574 4.426 ( 0.944 -1.367 0.158) 1.668 4.626 ( -3.462 -2.127 0.260) 4.071 4.910 ( -2.136 -6.771 0.134) 7.101 4.955 ( -1.702 -0.265 -0.508) 1.796 5.108 ( 4.666 13.223 -0.361) 14.026 5.255 ( -4.493 -2.401 0.515) 5.121 5.391 ( -0.395 -1.060 0.187) 1.147 5.969 ( -6.719 -5.528 1.022) 8.760 5.995 ( -1.262 -5.525 -0.844) 5.730 6.081 ( -1.075 7.713 -0.465) 7.802 6.224 ( 3.950 -1.977 0.071) 4.418 6.501 ( 3.115 -8.229 0.588) 8.818 6.552 ( -3.866 5.472 -0.199) 6.703 6.794 ( -0.705 -0.475 -1.208) 1.478 6.920 ( -3.668 3.766 4.264) 6.769 7.043 ( 0.715 2.907 0.338) 3.012 7.179 ( -1.301 -2.010 -2.895) 3.757 7.210 ( 1.040 -1.321 0.688) 1.817 7.306 ( 2.615 -0.554 -0.260) 2.686 7.420 ( 2.701 2.473 -2.627) 4.507 7.502 ( 0.869 4.122 1.951) 4.643 7.535 ( -2.703 3.685 -0.544) 4.602 7.620 ( 1.148 5.795 2.060) 6.257 7.657 ( 0.823 7.953 0.432) 8.007 7.749 ( 3.991 2.103 -3.673) 5.817 7.809 ( -1.118 -2.234 -4.310) 4.981 8.048 ( 2.840 -0.060 3.632) 4.611 8.169 ( -4.838 -0.512 -0.347) 4.877 8.255 ( -0.637 5.982 1.515) 6.204 8.298 ( 1.580 6.708 -1.051) 6.972 8.365 ( 0.362 4.052 0.298) 4.080 8.430 ( 1.862 10.084 1.076) 10.311 8.582 ( 1.526 -0.463 0.161) 1.603 8.734 ( -0.013 0.654 -1.050) 1.237 8.857 ( -0.133 -1.244 0.367) 1.304 8.914 ( 1.698 -0.566 0.325) 1.819 9.316 ( 0.078 -4.555 -0.934) 4.651 9.675 ( -0.400 -2.277 0.632) 2.397 ======================= Grid point 102 (40/70) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -8.316 7.902 4.421) 12.294 0.561 ( -9.652 7.259 8.357) 14.686 0.669 ( 2.325 -0.257 -7.014) 7.394 0.732 ( -8.719 4.790 -3.400) 10.513 0.874 ( -2.068 5.614 -1.719) 6.225 0.984 ( 1.296 1.295 -0.571) 1.919 1.008 ( -7.906 3.949 6.258) 10.829 1.092 ( -1.303 5.580 -0.462) 5.749 1.193 ( -1.065 8.951 0.632) 9.037 1.245 ( -6.194 11.866 1.080) 13.429 1.330 ( 0.658 5.252 -1.319) 5.455 1.443 ( -1.791 10.084 5.113) 11.447 1.479 ( -3.301 5.473 0.820) 6.444 1.595 ( -1.656 6.380 -3.716) 7.567 1.625 ( -6.178 8.682 -5.072) 11.802 1.675 ( 1.024 6.738 0.386) 6.826 1.744 ( -4.076 1.071 -3.843) 5.704 1.794 ( 0.696 7.325 -1.870) 7.592 1.853 ( -0.503 0.155 -2.140) 2.204 1.927 ( 4.326 0.708 -0.344) 4.397 2.010 ( -0.139 1.594 -1.267) 2.042 2.056 ( 2.036 0.864 1.927) 2.933 2.150 ( -1.844 -1.128 2.911) 3.626 2.227 ( -3.380 5.731 0.238) 6.658 2.287 ( 3.373 9.924 2.491) 10.774 2.425 ( 1.156 7.311 0.746) 7.439 2.496 ( -1.286 7.163 -1.014) 7.347 2.519 ( -1.876 10.892 -1.432) 11.145 2.659 ( -0.976 1.658 3.311) 3.830 2.880 ( -1.479 3.174 -0.837) 3.601 3.660 ( 6.891 -3.818 -1.343) 7.991 3.838 ( 9.235 -1.387 2.417) 9.646 4.146 ( 14.812 -1.614 0.003) 14.900 4.211 ( -1.452 -3.013 0.239) 3.353 4.387 ( -5.630 -1.967 -1.123) 6.068 4.608 ( 2.316 -3.857 2.024) 4.934 4.803 ( -8.287 -4.795 1.241) 9.654 4.917 ( -1.610 -2.713 -1.316) 3.418 5.100 ( -7.989 -2.791 0.506) 8.478 5.246 ( 4.645 12.585 0.119) 13.415 5.371 ( -1.916 -2.777 -0.041) 3.374 5.764 ( -10.135 -1.394 0.132) 10.231 6.018 ( 1.689 -4.344 -0.021) 4.660 6.104 ( 3.632 8.623 -0.368) 9.364 6.293 ( -1.368 -2.185 1.480) 2.973 6.435 ( 1.897 5.884 -0.464) 6.200 6.607 ( -3.170 1.973 -3.362) 5.024 6.716 ( -2.128 -4.495 -1.209) 5.118 6.838 ( -4.244 3.189 2.281) 5.779 7.093 ( 1.852 0.739 0.566) 2.073 7.145 ( -0.332 -1.708 -1.159) 2.090 7.229 ( 0.485 1.034 0.075) 1.144 7.367 ( 2.621 3.384 -0.707) 4.338 7.448 ( 0.749 2.416 1.547) 2.965 7.476 ( -2.533 2.414 0.415) 3.524 7.530 ( 1.120 4.035 0.140) 4.190 7.660 ( -0.683 5.439 0.260) 5.488 7.679 ( 3.733 2.225 1.275) 4.529 7.770 ( -1.002 1.601 -3.504) 3.981 7.835 ( 4.908 -1.106 -5.871) 7.732 8.058 ( -5.192 -1.821 -0.192) 5.505 8.133 ( 3.014 3.371 3.141) 5.506 8.246 ( 0.248 7.911 1.296) 8.021 8.350 ( 2.523 1.145 -2.359) 3.639 8.381 ( 2.541 3.031 0.480) 3.984 8.458 ( -0.394 7.669 1.040) 7.749 8.625 ( 3.621 1.324 1.548) 4.154 8.775 ( 4.646 6.410 -0.355) 7.925 8.837 ( -2.416 -1.448 -0.571) 2.874 8.943 ( 1.191 2.233 -3.642) 4.436 9.334 ( 3.036 -3.153 0.961) 4.481 9.650 ( -2.757 -2.548 1.132) 3.921 ======================= Grid point 103 (41/70) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -0.477 9.925 -0.881) 9.975 0.661 ( -0.688 14.708 -2.298) 14.902 0.796 ( 1.972 9.067 -1.583) 9.413 0.852 ( 1.036 12.047 -1.459) 12.179 0.961 ( -3.242 4.653 1.920) 5.987 0.976 ( 1.017 5.447 1.429) 5.722 1.129 ( 2.883 4.274 -2.756) 5.846 1.221 ( -0.399 6.227 0.032) 6.239 1.299 ( 0.245 4.576 -1.068) 4.705 1.369 ( -1.685 2.855 1.216) 3.531 1.492 ( 1.191 7.021 0.938) 7.183 1.603 ( 1.056 16.668 6.089) 17.777 1.654 ( -0.645 4.380 1.669) 4.731 1.716 ( -2.098 8.137 8.469) 11.931 1.741 ( -0.456 9.534 -0.617) 9.565 1.775 ( 0.505 7.650 -1.209) 7.762 1.859 ( -1.028 7.713 -3.643) 8.592 1.925 ( -0.645 3.377 -3.314) 4.775 1.947 ( 0.144 4.699 -3.748) 6.013 1.955 ( 2.521 10.070 -6.124) 12.053 2.047 ( -0.229 -1.602 -0.933) 1.868 2.076 ( -0.474 1.670 1.332) 2.188 2.238 ( 1.148 12.284 0.139) 12.338 2.393 ( -0.414 11.745 3.531) 12.271 2.552 ( 0.343 7.108 -0.273) 7.122 2.596 ( -1.341 13.360 1.875) 13.557 2.604 ( 0.794 7.336 0.986) 7.444 2.684 ( -0.788 10.699 -3.476) 11.277 2.827 ( 0.416 14.167 2.288) 14.357 3.001 ( 0.032 10.636 -1.101) 10.693 3.649 ( 0.278 -6.880 0.391) 6.897 3.944 ( -0.094 -1.298 0.793) 1.524 4.144 ( -0.128 -2.283 -0.141) 2.291 4.203 ( -0.903 -1.288 -0.776) 1.754 4.261 ( 1.594 -3.864 1.067) 4.314 4.631 ( -0.070 -0.307 0.260) 0.408 4.644 ( -0.137 -0.726 0.271) 0.787 4.858 ( -0.313 -2.167 -0.573) 2.263 4.945 ( 0.231 0.269 -0.018) 0.354 5.252 ( 0.059 0.120 0.011) 0.134 5.396 ( 0.041 -0.942 -0.296) 0.989 5.924 ( -0.057 -6.763 -0.030) 6.763 5.932 ( 0.191 16.504 0.093) 16.505 6.104 ( 0.196 -6.270 0.350) 6.283 6.403 ( -0.243 3.123 -0.141) 3.135 6.497 ( -0.352 1.519 -1.702) 2.308 6.602 ( -0.004 5.846 -0.007) 5.846 6.738 ( 0.062 -2.710 1.122) 2.934 6.800 ( 0.768 2.075 -0.489) 2.266 7.045 ( -0.022 0.626 0.033) 0.628 7.200 ( 0.107 -0.594 0.918) 1.099 7.258 ( 0.598 1.769 -2.086) 2.800 7.409 ( -1.548 0.749 2.589) 3.108 7.495 ( -0.014 1.304 -0.099) 1.308 7.581 ( -2.940 -4.089 0.110) 5.037 7.590 ( 2.339 5.594 0.306) 6.071 7.637 ( 0.421 5.876 -1.138) 6.000 7.775 ( 0.335 3.318 -1.157) 3.530 7.897 ( -0.010 8.792 -0.269) 8.796 7.944 ( -0.216 4.999 -0.247) 5.010 7.957 ( 0.927 -1.541 -0.509) 1.869 8.208 ( -1.147 -4.489 3.659) 5.904 8.351 ( 1.079 0.415 -1.981) 2.294 8.353 ( -0.418 7.498 -1.302) 7.621 8.493 ( -0.066 3.584 -0.353) 3.601 8.595 ( 0.043 3.477 0.839) 3.577 8.742 ( -3.899 0.900 0.759) 4.072 8.753 ( 4.333 3.701 2.538) 6.238 8.849 ( -0.193 3.398 0.303) 3.417 9.080 ( -1.530 5.580 -8.181) 10.020 9.388 ( 2.693 -3.208 2.581) 4.920 9.529 ( -1.063 -3.421 -0.382) 3.603 ======================= Grid point 104 (42/70) ======================= q-point: ( 0.17 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -0.419 11.410 1.364) 11.499 0.704 ( 3.256 6.600 -2.483) 7.767 0.848 ( 5.395 8.285 -4.099) 10.703 0.891 ( 0.611 10.783 0.337) 10.806 0.929 ( 1.726 2.790 -0.926) 3.409 1.019 ( 2.787 7.541 3.141) 8.632 1.157 ( 0.136 4.477 -3.136) 5.468 1.206 ( -0.892 5.314 -0.929) 5.467 1.296 ( -0.310 6.233 -1.080) 6.334 1.328 ( -1.411 2.843 2.658) 4.140 1.559 ( 4.032 3.967 -0.545) 5.683 1.655 ( 0.410 2.992 1.822) 3.527 1.703 ( -0.185 5.185 0.167) 5.191 1.718 ( 4.143 19.508 7.130) 21.180 1.748 ( 2.497 11.371 3.598) 12.185 1.776 ( 1.174 9.861 -4.136) 10.757 1.850 ( 0.603 3.280 2.555) 4.201 1.902 ( -1.526 1.057 -0.447) 1.909 1.915 ( -1.836 4.744 -3.558) 6.208 2.002 ( 2.200 8.785 -4.737) 10.220 2.056 ( 1.218 2.548 -2.483) 3.760 2.073 ( 1.634 1.630 1.100) 2.557 2.289 ( 3.937 10.899 -2.228) 11.801 2.413 ( 1.701 10.036 3.443) 10.745 2.467 ( -4.858 8.149 -0.645) 9.509 2.605 ( 0.776 12.737 2.224) 12.953 2.662 ( -0.402 10.659 -3.258) 11.153 2.701 ( 4.885 9.468 1.997) 10.839 2.826 ( -0.873 13.748 1.319) 13.838 3.019 ( 1.780 10.063 -0.837) 10.253 3.554 ( -9.004 -5.175 -0.474) 10.396 3.831 ( -7.688 -0.633 1.065) 7.787 4.092 ( -8.072 -2.794 0.292) 8.547 4.183 ( -0.530 -0.496 -1.010) 1.244 4.364 ( 7.363 -0.333 -0.592) 7.394 4.557 ( -2.844 -2.102 0.600) 3.587 4.730 ( 4.447 -2.569 0.697) 5.183 4.851 ( 1.678 -2.378 -0.402) 2.938 5.045 ( 6.876 -2.327 -0.146) 7.260 5.318 ( 5.063 0.199 0.020) 5.067 5.392 ( -0.704 0.266 -0.114) 0.761 5.887 ( -1.951 7.481 -0.104) 7.732 5.908 ( -1.654 -4.225 0.021) 4.537 6.145 ( 1.761 -2.157 -0.135) 2.788 6.333 ( -1.923 4.753 0.252) 5.134 6.565 ( -4.095 7.412 -0.264) 8.472 6.600 ( 1.339 1.055 0.432) 1.758 6.660 ( 2.020 -1.911 -1.257) 3.052 6.884 ( 3.646 -2.681 0.359) 4.540 7.072 ( 2.067 0.931 -0.128) 2.271 7.171 ( -2.743 -1.602 0.604) 3.233 7.281 ( 2.187 3.359 -3.082) 5.056 7.380 ( -3.415 0.281 2.565) 4.280 7.442 ( -6.168 -1.567 0.614) 6.394 7.511 ( 1.207 2.226 1.113) 2.765 7.609 ( -0.877 6.549 -0.266) 6.613 7.710 ( 4.683 1.937 0.256) 5.074 7.766 ( -0.605 3.089 -1.902) 3.678 7.882 ( -1.556 9.107 -0.245) 9.243 7.914 ( -2.455 7.430 -0.252) 7.829 8.014 ( 4.338 -3.202 -1.627) 5.632 8.168 ( -3.395 -2.768 3.552) 5.639 8.315 ( -2.569 1.104 -1.661) 3.253 8.372 ( 1.506 3.680 -0.011) 3.977 8.508 ( 1.054 6.808 -0.249) 6.894 8.590 ( -0.129 3.535 -0.015) 3.538 8.653 ( -4.107 1.619 0.520) 4.446 8.826 ( 0.173 3.125 0.248) 3.139 8.853 ( 1.301 2.218 2.186) 3.375 9.009 ( -4.122 7.424 -3.200) 9.075 9.312 ( -6.234 -2.965 -1.652) 7.098 9.579 ( 3.051 -4.144 0.909) 5.225 ======================= Grid point 105 (43/70) ======================= q-point: ( 0.33 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -0.174 5.244 -0.853) 5.316 0.773 ( 3.955 7.259 -0.121) 8.268 0.899 ( 3.136 3.694 -0.314) 4.856 0.952 ( 0.682 4.469 -2.880) 5.360 0.997 ( 6.512 6.685 -2.171) 9.582 1.079 ( 1.564 6.150 2.389) 6.780 1.127 ( -2.302 5.562 -1.589) 6.226 1.173 ( -1.533 5.586 1.288) 5.934 1.327 ( 1.095 2.211 0.759) 2.581 1.337 ( 4.904 6.445 0.651) 8.125 1.606 ( -2.340 3.693 -2.282) 4.932 1.616 ( -2.019 3.800 2.304) 4.881 1.680 ( -2.734 7.300 0.502) 7.812 1.726 ( -0.033 7.406 0.109) 7.407 1.792 ( 2.949 11.422 2.209) 12.002 1.847 ( -0.581 3.579 -0.419) 3.650 1.855 ( -0.192 4.230 -0.379) 4.251 1.920 ( 3.743 0.334 -2.088) 4.299 1.929 ( 2.825 8.880 1.388) 9.422 2.010 ( 1.090 3.400 1.790) 3.994 2.058 ( 0.352 3.884 0.079) 3.900 2.163 ( 5.170 8.657 -2.632) 10.421 2.351 ( 1.072 9.117 -4.778) 10.349 2.404 ( 0.043 9.388 0.920) 9.433 2.449 ( 0.875 9.146 2.336) 9.480 2.569 ( -3.740 15.298 -0.304) 15.752 2.700 ( 3.107 6.747 -0.542) 7.447 2.755 ( -0.112 13.455 -0.382) 13.461 2.826 ( 1.921 11.424 2.430) 11.836 3.050 ( 0.812 9.387 -0.105) 9.423 3.394 ( -5.036 -0.567 1.668) 5.335 3.702 ( -6.127 -0.535 -2.181) 6.526 3.896 ( -9.830 4.031 2.033) 10.818 4.190 ( 0.942 -2.057 -1.606) 2.775 4.414 ( -1.504 1.717 0.876) 2.445 4.588 ( 5.179 -3.202 -0.614) 6.119 4.782 ( 0.365 -5.642 0.345) 5.665 4.907 ( 3.289 -2.576 -0.163) 4.180 5.157 ( 4.553 -4.550 0.019) 6.437 5.345 ( -3.163 4.016 -0.055) 5.113 5.396 ( 1.961 2.036 0.116) 2.829 5.869 ( -1.189 -6.637 0.052) 6.743 5.934 ( 5.807 0.867 -0.061) 5.872 6.141 ( -1.790 0.957 -0.168) 2.036 6.308 ( -1.795 6.491 0.324) 6.742 6.433 ( -7.707 3.103 -0.466) 8.322 6.639 ( 5.893 4.291 0.337) 7.298 6.776 ( 5.176 -0.683 -0.748) 5.274 6.927 ( 1.060 -3.612 0.831) 3.855 7.044 ( -4.611 -1.087 0.587) 4.774 7.164 ( 1.405 -2.516 -0.006) 2.882 7.246 ( -6.733 -0.408 -0.027) 6.746 7.335 ( 2.211 2.678 -2.972) 4.571 7.390 ( -1.150 1.835 0.278) 2.183 7.540 ( 1.062 3.102 3.368) 4.700 7.610 ( 1.610 2.743 0.119) 3.182 7.751 ( -0.506 2.369 -2.992) 3.849 7.779 ( 1.160 3.470 1.077) 3.814 7.836 ( -1.643 7.832 -1.050) 8.071 7.878 ( -1.096 11.298 0.383) 11.358 8.049 ( -1.973 -3.594 -1.119) 4.250 8.146 ( 2.229 -1.013 1.607) 2.928 8.267 ( -2.135 -1.033 0.060) 2.373 8.407 ( 1.829 1.147 0.378) 2.191 8.519 ( 0.175 9.869 -0.238) 9.874 8.582 ( -2.212 3.296 0.656) 4.023 8.603 ( 0.090 2.581 -1.044) 2.785 8.800 ( -1.718 6.074 -0.304) 6.319 8.867 ( -0.472 1.557 1.472) 2.194 8.931 ( -3.136 6.015 -0.531) 6.804 9.228 ( -2.048 -4.277 -1.154) 4.881 9.615 ( 0.778 -3.738 0.450) 3.845 ======================= Grid point 106 (44/70) ======================= q-point: (-0.50 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.572 3.573 -1.604) 3.958 0.834 ( 2.122 4.715 -2.690) 5.829 0.909 ( -3.210 6.551 1.214) 7.395 0.975 ( 0.185 5.207 -1.281) 5.366 1.039 ( -0.149 4.202 0.771) 4.275 1.065 ( -1.198 5.205 -1.139) 5.461 1.118 ( 0.501 5.748 -0.476) 5.789 1.180 ( 1.347 6.059 2.260) 6.605 1.354 ( 1.738 2.127 0.483) 2.789 1.453 ( -1.901 4.600 -0.366) 4.991 1.500 ( 1.181 6.648 0.279) 6.758 1.609 ( 0.211 4.564 1.784) 4.905 1.633 ( -0.745 6.601 -0.640) 6.673 1.742 ( 0.474 4.604 -0.867) 4.709 1.802 ( -1.624 5.085 1.428) 5.525 1.841 ( -1.465 6.127 1.959) 6.598 1.878 ( 2.694 4.176 -1.438) 5.173 1.922 ( -0.278 3.995 0.279) 4.015 1.974 ( -1.019 -0.874 -2.719) 3.033 2.012 ( 1.230 0.240 0.511) 1.354 2.116 ( 2.769 8.973 -0.570) 9.407 2.198 ( -2.731 11.643 1.707) 12.080 2.312 ( -2.188 10.732 -2.301) 11.192 2.440 ( 0.274 7.760 -0.238) 7.768 2.462 ( 0.954 9.756 0.605) 9.821 2.520 ( 0.430 16.563 -1.153) 16.609 2.722 ( -0.819 9.591 0.993) 9.677 2.742 ( 0.115 12.100 -1.068) 12.147 2.872 ( 0.292 4.781 0.854) 4.866 3.041 ( -0.211 10.811 0.784) 10.842 3.428 ( 6.254 3.672 5.331) 9.001 3.557 ( -6.672 0.944 -7.005) 9.720 3.817 ( 1.333 5.532 3.312) 6.584 4.200 ( 0.067 -2.389 -1.663) 2.912 4.392 ( -0.056 0.786 0.986) 1.262 4.654 ( -0.334 -0.823 -0.434) 0.989 4.770 ( 0.064 -7.587 0.157) 7.588 4.946 ( 0.287 -2.201 -0.421) 2.259 5.207 ( -0.317 -5.865 0.458) 5.891 5.300 ( 0.191 6.252 -0.239) 6.260 5.414 ( -0.022 2.788 0.111) 2.790 5.857 ( 0.030 -6.928 0.022) 6.928 6.053 ( 0.128 -11.402 0.004) 11.402 6.078 ( -0.294 8.903 0.037) 8.908 6.306 ( 1.378 10.856 0.183) 10.944 6.323 ( -1.227 1.838 -0.691) 2.315 6.745 ( -0.577 0.535 0.506) 0.935 6.800 ( 0.238 5.161 0.112) 5.168 6.933 ( -0.265 -2.494 1.013) 2.705 6.996 ( 0.093 -4.562 0.296) 4.573 7.147 ( 0.160 -0.822 -0.192) 0.859 7.197 ( -0.032 -3.581 -0.409) 3.604 7.324 ( -2.366 2.975 1.656) 4.147 7.416 ( 3.354 3.145 -5.862) 7.450 7.562 ( 0.595 3.939 3.835) 5.530 7.637 ( -1.435 -0.759 1.176) 2.004 7.743 ( 1.551 4.384 -0.462) 4.673 7.748 ( -1.444 4.593 -2.134) 5.266 7.846 ( -0.028 6.844 -0.300) 6.850 7.874 ( 0.670 10.418 -0.458) 10.449 8.010 ( -0.470 -1.279 0.699) 1.531 8.184 ( -0.457 -2.564 0.300) 2.621 8.242 ( 0.240 -1.485 0.503) 1.587 8.429 ( 0.069 -0.319 0.313) 0.452 8.518 ( -0.152 10.641 0.039) 10.643 8.555 ( -0.061 2.045 0.565) 2.122 8.607 ( 0.094 5.295 -1.200) 5.430 8.784 ( 0.526 7.498 -1.048) 7.589 8.856 ( -0.580 3.199 1.388) 3.535 8.902 ( 0.262 2.417 -0.128) 2.434 9.210 ( -0.099 -4.960 -0.419) 4.979 9.621 ( -0.013 -3.414 0.245) 3.422 ======================= Grid point 107 (45/70) ======================= q-point: (-0.33 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 2.476 3.410 -2.439) 4.869 0.797 ( -3.960 11.037 -2.865) 12.071 0.854 ( -6.441 6.591 2.345) 9.509 0.905 ( -1.751 3.453 1.577) 4.180 1.016 ( -3.212 5.509 -2.742) 6.942 1.074 ( 1.417 3.780 1.062) 4.174 1.121 ( -1.480 6.779 0.542) 6.960 1.201 ( 0.432 5.990 -0.525) 6.028 1.320 ( -4.777 4.942 0.079) 6.874 1.382 ( 0.469 2.700 -2.133) 3.473 1.569 ( 0.693 4.586 0.977) 4.740 1.650 ( 2.479 6.485 -0.255) 6.947 1.656 ( 1.795 5.668 3.213) 6.758 1.721 ( -1.633 5.827 -1.393) 6.210 1.773 ( -1.573 7.164 2.415) 7.722 1.835 ( 1.591 3.541 0.312) 3.895 1.878 ( -2.781 1.975 0.624) 3.468 1.928 ( 0.280 3.749 -2.224) 4.368 1.947 ( 0.304 6.301 -1.094) 6.402 2.048 ( 0.796 0.641 -0.115) 1.028 2.068 ( -8.152 11.136 1.530) 13.886 2.117 ( -2.289 8.825 -2.262) 9.394 2.282 ( -1.284 11.127 0.993) 11.244 2.415 ( -1.635 8.094 -0.211) 8.260 2.475 ( 0.491 10.168 -0.224) 10.182 2.575 ( 3.636 14.782 -0.647) 15.236 2.691 ( -2.603 6.540 0.168) 7.041 2.755 ( 1.040 13.235 -0.232) 13.278 2.837 ( -2.896 11.313 1.510) 11.775 3.045 ( -0.788 8.939 0.233) 8.977 3.466 ( 2.094 -1.664 -3.446) 4.363 3.625 ( 9.672 0.295 3.433) 10.267 3.926 ( 8.938 5.013 0.091) 10.249 4.183 ( -1.312 -2.563 -1.212) 3.124 4.421 ( 2.062 1.442 0.494) 2.564 4.574 ( -5.944 -3.080 0.220) 6.698 4.781 ( -0.583 -5.322 0.343) 5.365 4.916 ( -2.869 -2.604 -0.670) 3.932 5.152 ( -4.598 -4.511 0.342) 6.450 5.347 ( 3.110 4.070 -0.199) 5.126 5.395 ( -1.998 2.085 0.149) 2.892 5.870 ( 1.295 -6.931 -0.029) 7.051 5.931 ( -6.056 0.941 0.125) 6.130 6.139 ( 1.778 1.368 -0.054) 2.244 6.314 ( 1.669 6.807 -0.060) 7.009 6.428 ( 7.910 2.714 -0.186) 8.364 6.633 ( -5.924 3.396 0.732) 6.867 6.780 ( -4.813 0.254 -1.061) 4.935 6.917 ( -1.755 -2.667 1.525) 3.539 7.045 ( 4.129 -1.297 0.557) 4.364 7.161 ( -1.713 -1.672 0.112) 2.396 7.252 ( 7.634 -0.554 -0.349) 7.662 7.287 ( -1.421 3.102 0.088) 3.413 7.458 ( 1.872 0.577 -4.959) 5.332 7.568 ( -3.962 -0.168 2.977) 4.958 7.584 ( 0.772 4.795 1.934) 5.228 7.720 ( -0.980 4.251 -1.627) 4.656 7.797 ( 0.423 2.174 -0.325) 2.239 7.837 ( 1.563 8.743 -0.740) 8.912 7.885 ( 0.894 8.780 -0.449) 8.837 8.035 ( 1.021 -2.519 0.019) 2.719 8.147 ( -1.288 -0.468 1.456) 2.000 8.270 ( 2.004 -1.081 -0.096) 2.279 8.407 ( -2.212 1.245 0.389) 2.568 8.517 ( 0.114 9.298 -0.178) 9.301 8.583 ( 2.068 2.029 0.763) 2.996 8.601 ( 0.023 4.667 -1.053) 4.784 8.807 ( 1.333 3.885 -0.857) 4.195 8.853 ( -0.124 4.412 1.984) 4.839 8.949 ( 5.079 5.340 -1.205) 7.468 9.217 ( 0.928 -4.704 -0.444) 4.816 9.616 ( -0.753 -3.555 0.385) 3.654 ======================= Grid point 108 (46/70) ======================= q-point: (-0.17 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -1.776 6.211 -1.787) 6.703 0.713 ( -1.923 12.657 -5.623) 13.983 0.763 ( -1.669 11.012 4.419) 11.982 0.876 ( -2.072 7.082 1.065) 7.455 0.967 ( -0.591 4.698 -3.214) 5.723 1.041 ( -4.984 6.739 1.029) 8.445 1.094 ( 0.510 4.424 1.430) 4.678 1.211 ( 1.006 5.800 -0.623) 5.920 1.293 ( 0.555 5.584 -1.188) 5.736 1.379 ( -0.237 2.785 -1.673) 3.257 1.528 ( -3.691 3.702 1.922) 5.570 1.637 ( -3.917 13.971 3.343) 14.890 1.671 ( -0.891 4.526 1.871) 4.978 1.716 ( 1.628 7.286 1.102) 7.547 1.773 ( -0.441 6.247 1.735) 6.498 1.817 ( -5.922 7.025 4.432) 10.201 1.872 ( -1.496 9.047 0.111) 9.170 1.903 ( 2.987 5.226 -1.255) 6.149 1.933 ( 0.870 6.248 -4.706) 7.871 1.967 ( -1.888 7.207 -7.196) 10.358 2.053 ( -0.178 3.058 -0.218) 3.071 2.090 ( -0.707 1.361 -0.750) 1.708 2.247 ( -2.025 11.946 1.520) 12.212 2.400 ( -0.525 9.926 2.157) 10.171 2.493 ( 2.095 9.078 -0.961) 9.366 2.611 ( -0.647 12.002 1.591) 12.125 2.646 ( -1.188 7.532 -1.033) 7.695 2.732 ( -3.319 11.228 -1.205) 11.770 2.813 ( 0.180 13.677 2.328) 13.875 3.018 ( -1.365 10.394 -0.773) 10.512 3.564 ( 6.850 -5.183 -1.231) 8.678 3.816 ( 9.459 -0.334 2.061) 9.687 4.117 ( 9.265 -1.284 -1.283) 9.441 4.158 ( -0.562 -1.806 0.545) 1.968 4.360 ( -8.708 -0.417 -0.311) 8.724 4.550 ( 3.719 -1.433 1.010) 4.112 4.731 ( -4.337 -2.291 0.617) 4.944 4.861 ( -1.847 -2.580 -0.933) 3.307 5.041 ( -6.783 -2.255 0.096) 7.149 5.316 ( -5.053 0.293 0.127) 5.064 5.393 ( 0.607 0.468 -0.168) 0.785 5.887 ( 1.857 8.693 -0.057) 8.889 5.905 ( 1.754 -5.548 0.185) 5.822 6.140 ( -1.872 -1.434 0.182) 2.365 6.340 ( 1.956 4.533 -0.187) 4.941 6.565 ( 4.246 7.835 -0.219) 8.915 6.612 ( 2.165 -0.863 -0.055) 2.332 6.650 ( -5.182 -1.105 -0.918) 5.377 6.869 ( -3.645 -0.975 1.257) 3.977 7.070 ( -1.811 0.673 -0.005) 1.932 7.167 ( 2.591 -1.184 0.826) 2.966 7.265 ( -0.801 2.403 -1.271) 2.834 7.402 ( 5.437 0.867 0.258) 5.512 7.475 ( 2.287 -1.707 -1.791) 3.370 7.510 ( -1.935 1.268 1.639) 2.835 7.610 ( 1.194 5.978 -0.107) 6.097 7.692 ( -2.827 1.726 0.666) 3.379 7.770 ( -0.621 3.815 -1.760) 4.247 7.883 ( 1.647 8.950 -0.239) 9.103 7.917 ( 2.271 6.785 -0.452) 7.169 7.994 ( -3.562 -3.967 -0.061) 5.332 8.186 ( 2.847 -0.898 2.377) 3.815 8.316 ( 2.952 -0.621 -2.087) 3.668 8.364 ( -1.784 4.749 0.624) 5.111 8.511 ( -0.977 5.996 -0.473) 6.093 8.587 ( 0.138 4.054 0.258) 4.065 8.655 ( 4.162 3.035 0.417) 5.168 8.809 ( -1.668 0.133 1.676) 2.368 8.852 ( -0.315 4.660 1.021) 4.781 9.064 ( 5.490 7.029 -6.627) 11.111 9.265 ( 5.075 -3.231 2.191) 6.403 9.586 ( -2.694 -3.747 0.427) 4.634 ======================= Grid point 109 (47/70) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.990 5.774 0.552) 5.884 0.896 ( -1.196 5.429 -1.777) 5.836 0.959 ( -1.963 6.581 1.339) 6.997 1.000 ( 2.346 8.984 -2.799) 9.698 1.114 ( -1.648 8.712 0.898) 8.912 1.143 ( 1.308 8.585 2.243) 8.969 1.219 ( 1.448 4.986 -4.146) 6.644 1.313 ( -0.541 3.932 -0.689) 4.028 1.424 ( -0.371 7.307 2.087) 7.609 1.463 ( -0.200 6.611 0.108) 6.615 1.606 ( 1.552 4.836 -0.246) 5.085 1.672 ( 0.103 1.948 0.045) 1.951 1.743 ( -1.275 1.992 2.578) 3.498 1.828 ( -1.682 1.312 1.119) 2.409 1.848 ( 2.248 2.634 2.099) 4.049 1.928 ( -0.202 1.757 -0.510) 1.841 1.988 ( -0.020 0.570 0.348) 0.668 2.036 ( 2.068 6.411 -0.624) 6.765 2.056 ( -0.310 6.821 0.842) 6.880 2.083 ( -3.310 11.479 -1.170) 12.004 2.135 ( -0.344 3.672 0.767) 3.767 2.217 ( 0.438 12.475 -5.469) 13.628 2.479 ( 0.956 9.479 -0.781) 9.559 2.600 ( 0.388 8.361 3.607) 9.114 2.670 ( -0.552 6.039 -1.453) 6.235 2.761 ( 0.419 9.395 0.699) 9.430 2.899 ( 0.451 14.335 1.190) 14.392 2.951 ( -1.139 17.858 -2.127) 18.020 3.105 ( 0.096 13.165 1.109) 13.212 3.195 ( 0.201 3.452 -0.454) 3.488 3.553 ( 0.146 1.148 -0.507) 1.263 3.938 ( -0.624 0.808 1.670) 1.957 4.063 ( -0.025 -3.725 -2.430) 4.448 4.187 ( 0.696 -0.865 1.306) 1.715 4.308 ( 0.051 7.738 -0.058) 7.738 4.643 ( 0.224 1.427 0.205) 1.459 4.663 ( -0.445 2.812 0.398) 2.875 4.838 ( -0.085 0.426 -0.450) 0.625 4.990 ( 0.114 3.722 -0.035) 3.724 5.302 ( -0.079 5.574 0.072) 5.575 5.374 ( -0.004 -0.792 -0.186) 0.814 5.762 ( 0.021 -9.270 0.045) 9.270 5.974 ( 0.008 -6.693 0.063) 6.693 6.243 ( -0.075 12.991 -0.200) 12.993 6.449 ( 0.038 2.351 -0.018) 2.352 6.515 ( -0.235 0.782 -0.406) 0.912 6.616 ( 0.437 -2.795 0.981) 2.995 6.760 ( 0.172 2.601 -0.067) 2.608 6.809 ( -0.248 0.059 -0.135) 0.288 7.133 ( -0.075 5.394 0.406) 5.410 7.147 ( -0.102 -1.836 -0.650) 1.950 7.283 ( 0.661 1.115 -1.610) 2.067 7.425 ( -1.154 0.798 1.987) 2.432 7.445 ( -0.303 -5.341 0.118) 5.351 7.575 ( 0.611 3.163 0.131) 3.224 7.641 ( 0.361 0.914 -1.033) 1.426 7.790 ( -0.128 7.498 -0.358) 7.508 7.863 ( -0.355 3.893 0.834) 3.997 7.899 ( 0.857 -1.762 -0.983) 2.192 8.014 ( 0.361 1.630 -0.853) 1.874 8.043 ( 0.437 0.285 0.165) 0.547 8.125 ( -1.775 0.990 2.715) 3.392 8.326 ( 1.278 -3.009 -2.533) 4.135 8.450 ( -1.575 -3.687 1.796) 4.393 8.537 ( 0.828 8.292 -0.839) 8.376 8.677 ( 0.723 5.352 -1.773) 5.684 8.777 ( -1.435 2.744 0.316) 3.113 8.859 ( 0.927 5.818 3.975) 7.107 8.999 ( -0.143 10.017 0.117) 10.019 9.151 ( -0.916 1.981 -4.641) 5.128 9.356 ( 2.162 0.172 2.449) 3.271 9.457 ( -1.243 -3.674 -0.694) 3.940 ======================= Grid point 110 (48/70) ======================= q-point: ( 0.17 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -2.336 4.978 -1.110) 5.610 0.880 ( 0.594 8.321 1.068) 8.410 0.942 ( 0.051 4.069 0.522) 4.103 1.040 ( 2.344 7.415 -2.689) 8.228 1.094 ( 0.201 9.467 -0.219) 9.472 1.187 ( 1.737 7.423 1.891) 7.855 1.240 ( 1.773 4.099 -4.536) 6.366 1.304 ( -0.279 4.775 0.248) 4.790 1.409 ( -2.512 5.766 2.707) 6.847 1.448 ( 0.699 8.606 -0.519) 8.650 1.637 ( 1.406 3.496 -1.114) 3.929 1.689 ( 1.200 1.199 -0.199) 1.708 1.747 ( 0.722 1.242 3.963) 4.215 1.812 ( -0.474 1.873 -0.041) 1.932 1.886 ( 0.145 2.361 0.446) 2.407 1.916 ( -0.085 1.936 0.846) 2.115 1.992 ( -0.228 0.277 0.534) 0.643 2.014 ( -2.902 5.703 -3.849) 7.467 2.029 ( -1.120 5.532 -0.460) 5.663 2.103 ( -1.520 1.792 1.692) 2.896 2.146 ( 5.897 16.073 3.983) 17.577 2.249 ( 4.307 11.050 -4.183) 12.576 2.506 ( 1.881 8.597 -1.919) 9.007 2.608 ( -0.306 8.186 4.298) 9.251 2.638 ( -1.771 9.440 -2.464) 9.916 2.754 ( -0.135 5.266 -0.219) 5.272 2.905 ( -0.478 13.361 -0.041) 13.370 2.994 ( 3.254 16.184 0.013) 16.508 3.088 ( -2.146 11.733 0.780) 11.953 3.187 ( -0.296 3.440 -0.096) 3.454 3.531 ( -1.699 6.297 -1.363) 6.663 3.845 ( -6.566 2.029 2.141) 7.198 4.052 ( -1.799 -0.888 -1.146) 2.311 4.198 ( 0.128 1.730 -0.507) 1.807 4.390 ( 7.179 3.647 -0.085) 8.053 4.573 ( -4.434 3.714 0.537) 5.809 4.704 ( 1.533 -0.200 0.639) 1.673 4.828 ( 0.348 0.225 -0.438) 0.603 5.028 ( 2.824 0.543 -0.138) 2.879 5.353 ( 1.622 0.915 0.079) 1.864 5.396 ( 4.236 4.067 0.014) 5.872 5.748 ( -1.214 -8.688 0.011) 8.773 5.914 ( -4.411 -5.260 0.016) 6.865 6.275 ( 2.275 10.734 0.017) 10.972 6.402 ( -1.759 2.978 -0.046) 3.459 6.586 ( -0.430 -0.358 0.664) 0.868 6.607 ( 2.917 -1.176 -0.664) 3.215 6.757 ( 0.973 5.372 -0.045) 5.460 6.840 ( 2.630 -0.523 0.273) 2.696 7.103 ( -3.899 -3.954 -0.406) 5.568 7.135 ( 0.069 5.459 0.181) 5.463 7.315 ( 2.865 0.761 -2.226) 3.707 7.349 ( -6.930 -2.936 0.925) 7.583 7.425 ( -0.613 0.862 1.683) 1.988 7.577 ( -0.041 2.938 -0.097) 2.940 7.697 ( 2.895 0.530 -0.270) 2.956 7.767 ( -1.256 6.137 -0.471) 6.282 7.851 ( -0.321 3.270 0.497) 3.323 7.923 ( 1.081 -2.450 -0.969) 2.848 8.003 ( -1.198 1.733 -1.649) 2.675 8.048 ( -0.387 -0.066 -0.042) 0.395 8.117 ( 0.505 2.590 3.657) 4.510 8.308 ( -1.851 -2.020 -3.423) 4.384 8.399 ( -3.020 -1.631 2.470) 4.229 8.595 ( 4.013 5.455 -0.317) 6.780 8.660 ( -2.159 3.680 -1.594) 4.555 8.743 ( -1.118 5.903 0.874) 6.071 8.878 ( -0.601 3.155 1.905) 3.734 8.998 ( 0.024 9.986 0.251) 9.989 9.116 ( -1.494 3.192 -1.368) 3.780 9.295 ( -5.856 1.763 -1.221) 6.237 9.499 ( 2.989 -3.987 0.789) 5.045 ======================= Grid point 111 (49/70) ======================= q-point: ( 0.33 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -2.323 5.622 -0.847) 6.142 0.900 ( 0.627 3.759 0.043) 3.811 0.973 ( 3.343 5.627 2.171) 6.896 1.061 ( 0.215 5.525 -1.652) 5.770 1.144 ( 4.136 7.705 -1.274) 8.837 1.187 ( -1.027 5.215 -2.807) 6.011 1.260 ( -0.078 6.557 -0.825) 6.609 1.309 ( 0.579 6.876 1.553) 7.073 1.377 ( -0.389 4.061 2.009) 4.547 1.484 ( 2.889 7.781 0.416) 8.311 1.661 ( 1.051 2.330 0.537) 2.612 1.688 ( -1.812 3.628 -0.403) 4.075 1.769 ( 0.675 0.732 2.193) 2.408 1.798 ( -1.248 2.088 -1.932) 3.106 1.865 ( -0.481 1.435 0.991) 1.810 1.902 ( -3.326 1.371 0.645) 3.655 1.950 ( -1.632 3.395 -2.896) 4.752 1.991 ( 0.564 3.126 0.129) 3.179 2.023 ( 0.072 5.118 0.126) 5.120 2.071 ( -1.704 0.631 0.545) 1.898 2.262 ( 4.570 13.581 1.288) 14.387 2.371 ( 7.278 11.176 0.049) 13.337 2.534 ( 0.985 8.016 -2.061) 8.335 2.593 ( -0.791 8.954 0.080) 8.990 2.629 ( 0.566 8.543 0.860) 8.604 2.771 ( 1.740 2.026 -0.239) 2.681 2.884 ( -1.505 14.878 -0.120) 14.954 2.985 ( -3.485 5.682 -0.344) 6.674 3.037 ( -2.531 11.238 0.271) 11.522 3.190 ( -0.412 5.334 1.623) 5.591 3.526 ( 1.735 12.716 -1.888) 12.972 3.750 ( -2.917 6.357 0.096) 6.995 3.998 ( -3.342 5.587 2.188) 6.868 4.194 ( -0.105 2.734 -2.130) 3.467 4.493 ( -2.927 6.255 0.644) 6.936 4.535 ( 6.601 -1.328 -0.122) 6.735 4.706 ( -1.683 -2.161 0.498) 2.784 4.866 ( 3.160 -1.306 -0.225) 3.426 5.073 ( 1.695 -3.431 -0.024) 3.826 5.339 ( -2.016 -2.237 -0.038) 3.012 5.485 ( 3.117 7.047 0.138) 7.707 5.726 ( -0.896 -7.634 0.015) 7.686 5.863 ( -0.615 -5.909 0.043) 5.941 6.309 ( 1.323 10.436 0.156) 10.521 6.379 ( -0.784 2.965 -0.053) 3.068 6.530 ( -4.026 4.064 0.081) 5.721 6.680 ( 4.421 -0.453 -0.517) 4.474 6.826 ( 4.942 2.397 0.261) 5.499 6.892 ( 2.557 2.264 0.373) 3.435 7.014 ( -4.500 -1.111 -0.090) 4.636 7.139 ( 0.270 1.013 -0.386) 1.118 7.205 ( -7.620 -1.684 0.882) 7.854 7.365 ( 1.851 0.419 -2.009) 2.764 7.424 ( 0.654 1.762 0.569) 1.963 7.584 ( 0.784 0.902 0.500) 1.296 7.683 ( -2.326 3.939 1.320) 4.761 7.776 ( 0.325 0.647 -0.865) 1.128 7.865 ( 1.050 3.488 0.198) 3.648 7.923 ( -1.068 -1.300 0.529) 1.764 7.973 ( -0.679 -0.050 -5.194) 5.239 8.029 ( -1.173 0.698 2.211) 2.599 8.152 ( 2.131 1.783 2.741) 3.903 8.267 ( -2.109 2.049 -2.027) 3.572 8.362 ( -0.722 -3.514 1.239) 3.795 8.606 ( -2.678 2.484 -0.480) 3.684 8.668 ( 3.282 5.102 0.113) 6.068 8.739 ( 0.210 7.553 -0.559) 7.577 8.843 ( -2.548 1.033 0.941) 2.906 9.003 ( 0.413 9.685 0.345) 9.700 9.092 ( -1.350 7.014 0.386) 7.153 9.188 ( -4.078 1.815 -1.466) 4.698 9.539 ( 1.099 -3.918 0.394) 4.088 ======================= Grid point 112 (50/70) ======================= q-point: (-0.50 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.024 5.340 -0.625) 5.376 0.905 ( 0.196 2.379 -0.612) 2.464 1.034 ( -1.153 6.074 2.013) 6.502 1.064 ( 2.922 3.565 0.007) 4.609 1.135 ( -2.311 5.709 -2.380) 6.603 1.210 ( -0.235 7.885 -2.066) 8.154 1.244 ( 0.318 6.271 -0.236) 6.283 1.324 ( 0.850 7.929 1.163) 8.059 1.398 ( 1.188 2.906 2.090) 3.772 1.533 ( -0.363 3.599 -0.384) 3.638 1.641 ( -0.402 7.328 0.453) 7.353 1.683 ( 1.284 4.019 2.185) 4.752 1.742 ( -3.006 3.849 -1.985) 5.272 1.788 ( 1.037 0.565 -0.673) 1.359 1.848 ( -1.314 0.973 0.850) 1.843 1.874 ( -0.349 -0.952 1.702) 1.981 1.934 ( 0.480 1.324 -2.426) 2.805 2.005 ( -0.653 2.876 -0.218) 2.957 2.022 ( 1.430 3.364 -0.804) 3.742 2.055 ( 0.072 4.064 0.600) 4.109 2.323 ( 1.471 11.387 0.549) 11.495 2.442 ( -1.255 11.671 0.459) 11.747 2.523 ( -1.170 9.765 -0.452) 9.845 2.600 ( 0.428 6.949 -1.008) 7.035 2.643 ( 0.586 7.902 0.589) 7.945 2.789 ( -0.371 2.387 -0.440) 2.456 2.872 ( 0.444 14.019 0.524) 14.036 2.932 ( -0.192 3.783 -0.472) 3.817 3.010 ( -0.039 11.381 0.279) 11.385 3.188 ( 0.389 5.474 1.909) 5.811 3.556 ( 1.844 5.639 -1.610) 6.148 3.705 ( -3.349 15.673 -1.733) 16.121 3.982 ( 2.231 10.374 3.659) 11.225 4.184 ( -0.622 1.075 -2.443) 2.741 4.459 ( -0.143 6.075 0.848) 6.135 4.641 ( -4.632 -3.033 0.414) 5.552 4.649 ( 4.509 -1.324 -0.252) 4.706 4.908 ( 0.271 -1.436 -0.400) 1.515 5.088 ( -0.233 -5.721 0.342) 5.736 5.311 ( 0.131 -2.231 -0.208) 2.244 5.512 ( -0.019 6.973 0.148) 6.975 5.717 ( -0.007 -7.193 0.003) 7.193 5.864 ( -0.052 -7.470 0.072) 7.471 6.313 ( -0.027 8.460 0.018) 8.460 6.399 ( 0.444 8.643 -0.246) 8.658 6.463 ( -0.456 4.053 0.404) 4.098 6.739 ( -0.230 -0.920 -0.258) 0.983 6.880 ( -0.147 -1.613 0.251) 1.639 6.918 ( -0.001 0.382 0.139) 0.406 6.982 ( 0.287 8.308 0.214) 8.315 7.106 ( 0.080 -2.693 0.527) 2.745 7.144 ( 0.348 -0.505 -0.815) 1.020 7.367 ( -0.828 1.429 0.674) 1.783 7.448 ( 1.330 0.855 -3.023) 3.411 7.591 ( -1.012 -0.671 1.786) 2.160 7.662 ( -0.017 2.377 1.398) 2.757 7.777 ( 1.059 0.220 -0.437) 1.167 7.853 ( -1.390 4.262 0.690) 4.536 7.905 ( -0.846 -1.188 -0.478) 1.535 7.976 ( 1.479 -0.611 -4.994) 5.244 8.026 ( 0.350 1.713 1.979) 2.641 8.192 ( 0.687 1.440 2.975) 3.376 8.220 ( -1.830 1.532 -0.241) 2.398 8.370 ( 0.999 -2.538 -0.903) 2.873 8.574 ( -0.279 2.255 -0.081) 2.274 8.705 ( -0.229 6.182 0.543) 6.210 8.737 ( -0.029 7.189 -0.499) 7.207 8.817 ( 0.178 -0.102 0.244) 0.319 9.013 ( 0.372 8.841 -0.182) 8.850 9.071 ( 0.147 12.101 0.222) 12.104 9.147 ( -0.488 -1.046 -0.356) 1.208 9.549 ( 0.045 -3.838 0.169) 3.842 ======================= Grid point 113 (51/70) ======================= q-point: (-0.33 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 2.026 4.989 -0.548) 5.413 0.908 ( 0.267 1.889 -0.733) 2.043 0.993 ( -2.526 7.165 2.403) 7.968 1.059 ( -2.748 8.120 -3.759) 9.360 1.124 ( -0.278 5.332 1.967) 5.690 1.169 ( -0.956 6.647 -2.702) 7.238 1.254 ( -0.736 6.040 0.337) 6.094 1.338 ( 0.002 7.078 -0.538) 7.099 1.407 ( 0.082 4.319 -0.949) 4.423 1.476 ( -2.869 6.496 1.329) 7.225 1.647 ( -2.410 3.377 1.273) 4.340 1.697 ( 0.989 1.712 -0.660) 2.084 1.734 ( 1.564 2.504 3.002) 4.211 1.807 ( -0.371 1.884 -1.343) 2.343 1.860 ( 2.483 2.729 1.345) 3.927 1.869 ( 1.284 2.201 1.436) 2.925 1.950 ( 0.664 1.401 -1.521) 2.172 1.990 ( 0.438 2.758 -0.293) 2.808 2.063 ( 0.510 3.446 0.581) 3.532 2.068 ( 2.580 3.068 -1.683) 4.347 2.308 ( -3.240 11.108 -2.947) 11.940 2.345 ( -7.398 13.069 2.909) 15.297 2.495 ( -1.664 8.904 0.925) 9.106 2.586 ( -0.958 8.405 -0.170) 8.461 2.656 ( 0.774 8.244 -0.700) 8.310 2.768 ( -1.482 2.333 -0.039) 2.764 2.884 ( 0.929 15.092 -0.095) 15.121 2.982 ( 3.562 6.360 -0.077) 7.290 3.040 ( 2.799 9.835 0.092) 10.226 3.199 ( -0.383 6.570 1.060) 6.665 3.550 ( -2.551 8.742 -4.329) 10.083 3.699 ( 5.048 8.976 4.195) 11.120 4.058 ( 3.847 7.877 -1.058) 8.830 4.161 ( -1.152 0.469 -0.544) 1.358 4.494 ( 3.268 5.505 0.760) 6.447 4.526 ( -6.972 -0.439 0.268) 6.991 4.710 ( 1.502 -2.070 0.216) 2.567 4.872 ( -2.911 -1.399 -0.632) 3.292 5.068 ( -1.782 -3.424 0.281) 3.870 5.342 ( 2.126 -2.250 -0.231) 3.104 5.484 ( -3.165 7.071 0.157) 7.749 5.726 ( 0.904 -7.641 0.015) 7.694 5.862 ( 0.595 -5.817 0.108) 5.848 6.311 ( -1.060 10.494 0.008) 10.547 6.382 ( 0.604 2.931 -0.241) 3.003 6.523 ( 3.645 3.868 0.548) 5.343 6.674 ( -4.265 0.231 -0.150) 4.274 6.827 ( -4.825 1.636 0.173) 5.098 6.895 ( -2.606 2.146 0.222) 3.383 7.014 ( 4.291 -0.620 -0.068) 4.336 7.146 ( 0.065 1.184 -0.872) 1.472 7.209 ( 7.200 -1.306 0.717) 7.353 7.349 ( -0.903 1.571 -0.836) 1.996 7.453 ( -0.255 -0.148 -1.744) 1.769 7.563 ( -1.317 -0.123 1.951) 2.357 7.681 ( 1.217 3.834 1.850) 4.428 7.790 ( -0.374 2.695 -2.917) 3.989 7.852 ( 0.265 2.444 2.032) 3.190 7.900 ( 0.823 -2.604 0.869) 2.866 7.986 ( 0.588 0.229 -4.766) 4.808 8.037 ( 0.183 2.616 1.370) 2.959 8.168 ( -1.499 4.189 2.490) 5.098 8.235 ( 1.890 -3.496 -0.536) 4.010 8.390 ( 1.342 -0.749 -0.660) 1.673 8.595 ( 2.042 2.587 0.229) 3.304 8.664 ( -3.278 4.550 0.339) 5.618 8.745 ( 0.844 7.361 -0.959) 7.471 8.838 ( 1.291 1.698 1.227) 2.461 9.011 ( -0.325 9.537 -0.085) 9.543 9.120 ( 4.311 9.766 -1.445) 10.773 9.154 ( 1.384 -1.207 0.742) 1.981 9.542 ( -0.896 -3.856 0.180) 3.962 ======================= Grid point 114 (52/70) ======================= q-point: (-0.17 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 1.714 5.005 0.148) 5.293 0.911 ( -0.029 2.469 -1.172) 2.733 0.968 ( 0.203 9.597 0.177) 9.601 1.004 ( -2.300 8.724 -1.587) 9.160 1.111 ( 0.208 9.108 -0.623) 9.131 1.166 ( -1.186 4.098 1.707) 4.595 1.216 ( -1.633 7.902 -1.626) 8.231 1.326 ( -0.606 5.610 -1.112) 5.751 1.429 ( 2.122 7.121 -0.915) 7.487 1.441 ( -1.332 4.884 1.774) 5.364 1.604 ( -1.479 3.826 1.595) 4.401 1.687 ( -1.359 1.071 -0.061) 1.732 1.772 ( -0.978 2.509 2.347) 3.572 1.798 ( 2.082 2.664 0.846) 3.485 1.867 ( -1.728 1.726 0.248) 2.455 1.917 ( 1.469 2.361 0.899) 2.922 1.978 ( 2.644 2.392 -0.513) 3.602 2.006 ( 0.509 2.622 -0.956) 2.837 2.061 ( -0.675 5.452 -0.014) 5.493 2.111 ( 2.159 3.731 -0.690) 4.365 2.182 ( -6.775 12.577 2.051) 14.432 2.252 ( -2.967 12.145 -5.299) 13.579 2.475 ( -0.456 8.717 0.718) 8.759 2.584 ( 0.365 9.052 2.556) 9.413 2.668 ( 0.697 8.239 -1.564) 8.415 2.748 ( -0.181 6.064 0.154) 6.068 2.897 ( 0.225 13.717 0.402) 13.725 3.009 ( -1.840 14.608 -0.902) 14.751 3.088 ( 1.426 12.617 0.881) 12.728 3.182 ( 0.136 3.466 0.162) 3.473 3.533 ( 1.320 5.079 -1.536) 5.468 3.841 ( 7.659 3.179 2.284) 8.601 4.087 ( -0.389 -1.582 -4.264) 4.564 4.163 ( 1.190 2.101 2.742) 3.653 4.387 ( -6.944 3.817 0.112) 7.925 4.572 ( 4.353 3.708 0.566) 5.747 4.708 ( -1.613 -0.097 0.363) 1.656 4.833 ( -0.498 0.066 -0.758) 0.910 5.024 ( -2.674 0.519 0.106) 2.726 5.357 ( -1.705 1.132 -0.144) 2.052 5.395 ( -4.227 3.963 0.060) 5.795 5.748 ( 1.181 -8.666 0.033) 8.746 5.914 ( 4.439 -5.089 0.051) 6.753 6.278 ( -2.396 11.098 -0.206) 11.355 6.404 ( 1.734 2.718 -0.147) 3.227 6.578 ( 2.487 -1.417 1.101) 3.067 6.603 ( -4.633 -0.535 -0.402) 4.681 6.756 ( -1.153 5.243 -0.002) 5.368 6.843 ( -2.585 -0.258 0.073) 2.599 7.101 ( 3.957 -2.675 -0.251) 4.782 7.143 ( -0.220 4.861 -0.324) 4.877 7.289 ( -0.199 0.955 -0.125) 0.984 7.379 ( 5.335 -3.568 -1.526) 6.597 7.440 ( -0.839 0.074 0.861) 1.204 7.561 ( 0.527 2.737 0.838) 2.910 7.683 ( -2.157 0.713 0.634) 2.358 7.779 ( 0.563 6.776 -1.340) 6.931 7.854 ( 0.302 3.613 0.674) 3.687 7.907 ( -0.657 -3.776 -0.125) 3.835 7.998 ( 1.275 1.674 -1.385) 2.519 8.039 ( -0.083 2.778 1.124) 2.998 8.153 ( -1.066 1.269 1.265) 2.085 8.280 ( 3.081 -3.429 -1.532) 4.858 8.425 ( 2.336 -0.457 0.260) 2.395 8.586 ( -3.937 4.917 0.208) 6.303 8.647 ( 2.283 3.864 -0.464) 4.512 8.767 ( 1.632 5.663 -1.388) 6.055 8.854 ( -0.282 3.999 3.581) 5.376 9.004 ( -0.357 9.848 0.027) 9.855 9.157 ( 1.050 1.467 -4.875) 5.198 9.248 ( 6.441 2.876 2.858) 7.611 9.510 ( -2.555 -3.807 0.020) 4.585 ======================= Grid point 115 (53/70) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.391 2.546 0.485) 2.621 0.919 ( -0.184 -0.196 -0.237) 0.358 1.108 ( -1.270 6.391 0.893) 6.577 1.137 ( 1.060 4.802 -1.655) 5.189 1.240 ( 0.310 3.892 2.348) 4.556 1.294 ( -0.783 2.036 -1.891) 2.887 1.308 ( 0.558 8.640 -0.459) 8.671 1.396 ( -0.286 4.387 -0.451) 4.419 1.562 ( 0.589 2.792 -0.302) 2.869 1.576 ( -0.417 7.043 0.374) 7.066 1.675 ( 0.660 1.958 -1.930) 2.827 1.712 ( 0.165 1.708 0.651) 1.835 1.822 ( -0.598 7.049 0.286) 7.080 1.852 ( -1.189 1.828 2.322) 3.186 1.888 ( 1.404 1.628 2.313) 3.158 1.971 ( -0.065 1.946 -0.761) 2.090 1.979 ( -0.169 0.477 -0.142) 0.526 2.085 ( 0.257 0.940 0.356) 1.037 2.113 ( 1.059 0.198 -1.885) 2.171 2.177 ( -1.642 0.950 -0.550) 1.975 2.332 ( -0.308 9.100 1.870) 9.295 2.399 ( -0.011 5.431 -3.285) 6.347 2.553 ( 0.664 -0.455 0.778) 1.120 2.749 ( -0.503 7.476 3.117) 8.115 2.810 ( 0.318 6.922 -2.312) 7.305 2.899 ( 0.029 -0.745 -0.145) 0.759 3.120 ( 0.253 1.398 -0.065) 1.422 3.141 ( -0.234 7.412 0.457) 7.430 3.299 ( 0.312 13.214 -0.389) 13.223 3.330 ( -0.458 10.427 0.772) 10.466 3.725 ( 0.862 11.820 -1.132) 11.906 3.960 ( -3.047 0.829 3.352) 4.605 4.043 ( 2.592 2.650 -4.251) 5.641 4.210 ( -0.204 3.205 1.345) 3.482 4.506 ( 0.062 11.707 -0.210) 11.709 4.683 ( 0.059 2.657 0.166) 2.663 4.754 ( -0.166 6.076 0.407) 6.092 4.880 ( -0.027 3.846 -0.330) 3.860 5.063 ( 0.041 3.293 0.286) 3.306 5.371 ( -0.096 0.474 -0.113) 0.497 5.478 ( -0.015 11.139 -0.265) 11.142 5.566 ( 0.033 -9.730 0.251) 9.733 5.843 ( -0.061 -6.665 -0.013) 6.665 6.387 ( -0.310 1.497 -0.632) 1.655 6.496 ( 0.606 1.799 0.311) 1.924 6.529 ( -0.471 0.525 0.090) 0.711 6.576 ( 0.449 -0.313 0.519) 0.754 6.804 ( -0.229 2.518 -0.058) 2.529 6.855 ( 0.121 4.345 -0.020) 4.347 7.054 ( -0.181 -3.992 0.017) 3.996 7.281 ( -0.459 4.701 1.068) 4.843 7.314 ( 0.392 0.197 -2.208) 2.251 7.353 ( 0.119 -0.157 -0.557) 0.591 7.466 ( -0.280 2.909 2.009) 3.546 7.631 ( -1.979 0.855 -0.089) 2.158 7.640 ( 2.643 0.133 -0.747) 2.750 7.836 ( 0.348 -1.192 -0.143) 1.250 7.889 ( -0.076 -1.531 1.780) 2.349 7.931 ( -0.406 0.030 -2.291) 2.327 7.983 ( -0.379 1.586 0.361) 1.670 8.049 ( 0.681 1.823 -0.974) 2.176 8.167 ( -1.112 -4.401 3.089) 5.490 8.246 ( 0.863 0.795 -2.254) 2.541 8.426 ( -0.549 -0.225 0.929) 1.102 8.676 ( 0.323 6.126 -0.081) 6.135 8.783 ( 1.136 4.864 -1.906) 5.346 8.846 ( -1.429 4.090 0.299) 4.342 8.954 ( 0.414 3.618 2.313) 4.314 9.175 ( -0.810 1.216 -1.714) 2.252 9.199 ( 0.173 9.310 -0.111) 9.312 9.368 ( 2.426 -1.364 1.880) 3.359 9.407 ( -1.912 0.601 -1.095) 2.284 ======================= Grid point 116 (54/70) ======================= q-point: ( 0.17 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -1.530 2.651 0.059) 3.061 0.926 ( 0.587 0.322 -0.122) 0.680 1.090 ( -0.597 6.881 1.109) 6.995 1.152 ( 0.627 4.107 -1.330) 4.362 1.249 ( 0.480 5.419 1.605) 5.672 1.280 ( -0.093 1.893 -2.434) 3.085 1.329 ( 1.369 6.008 0.211) 6.166 1.399 ( 0.409 4.618 0.128) 4.638 1.541 ( -1.998 5.133 -0.388) 5.522 1.586 ( 1.189 5.512 -0.053) 5.639 1.685 ( 0.717 1.236 -1.467) 2.048 1.711 ( 0.068 1.648 0.591) 1.752 1.797 ( -1.395 3.889 1.972) 4.578 1.861 ( 0.315 3.452 0.921) 3.587 1.918 ( 1.251 1.154 -0.310) 1.730 1.954 ( -1.185 2.294 0.582) 2.647 1.993 ( 0.999 0.742 -0.023) 1.244 2.072 ( -1.037 0.318 1.440) 1.802 2.097 ( -3.071 2.266 -4.154) 5.641 2.118 ( -2.838 -0.201 1.721) 3.326 2.399 ( 5.336 8.464 1.068) 10.062 2.425 ( 3.809 5.857 -1.926) 7.247 2.575 ( 1.382 -0.879 -0.192) 1.649 2.745 ( -0.578 6.794 2.883) 7.403 2.809 ( 0.048 7.025 -1.959) 7.293 2.848 ( -4.532 0.358 -0.160) 4.549 3.090 ( -3.110 -0.208 0.081) 3.118 3.143 ( 0.403 10.469 0.182) 10.479 3.293 ( -1.766 9.321 -0.347) 9.493 3.323 ( -0.719 8.571 0.804) 8.639 3.763 ( 3.047 13.375 -3.302) 14.110 3.909 ( -2.162 4.666 5.307) 7.390 4.070 ( 1.479 2.866 -3.766) 4.958 4.246 ( 2.775 3.343 0.866) 4.430 4.519 ( 1.239 8.939 -0.118) 9.025 4.674 ( -0.859 4.736 0.040) 4.813 4.736 ( -1.669 4.703 0.620) 5.029 4.862 ( -0.931 3.155 -0.313) 3.304 5.056 ( -0.849 1.966 0.185) 2.149 5.351 ( -1.606 0.262 -0.075) 1.629 5.558 ( 3.559 -1.631 -0.363) 3.932 5.578 ( 3.258 3.505 0.470) 4.809 5.799 ( -3.178 -5.863 0.055) 6.669 6.399 ( 1.110 1.266 0.174) 1.693 6.458 ( -1.813 2.574 -0.252) 3.158 6.576 ( 1.229 -0.620 0.015) 1.377 6.602 ( 3.303 0.570 -0.130) 3.354 6.803 ( 0.693 2.184 0.242) 2.304 6.884 ( 1.998 1.909 -0.063) 2.764 7.037 ( -0.508 -0.607 0.314) 0.852 7.267 ( -1.656 4.008 0.349) 4.351 7.292 ( -3.406 0.039 -0.144) 3.410 7.347 ( 1.030 2.217 -2.117) 3.234 7.462 ( -0.439 2.579 2.186) 3.409 7.600 ( -1.333 -0.710 -0.340) 1.548 7.694 ( 2.906 -0.259 -0.804) 3.026 7.850 ( 0.018 -1.348 -0.406) 1.408 7.858 ( -2.406 1.375 1.826) 3.318 7.903 ( -1.333 -1.892 -2.483) 3.394 7.993 ( 0.376 0.993 1.229) 1.624 8.045 ( -0.934 0.905 -1.800) 2.221 8.139 ( -1.854 -3.939 3.024) 5.301 8.274 ( 2.667 1.586 -2.192) 3.799 8.401 ( -2.296 0.906 1.503) 2.890 8.695 ( 1.031 4.462 0.463) 4.603 8.748 ( -2.617 4.597 -2.598) 5.893 8.839 ( -0.206 3.875 1.111) 4.037 8.943 ( -2.157 2.897 0.992) 3.746 9.148 ( -0.889 2.334 -0.034) 2.497 9.205 ( 0.365 8.938 -0.089) 8.946 9.361 ( -2.667 3.802 -1.465) 4.870 9.427 ( 2.779 -3.064 1.177) 4.300 ======================= Grid point 117 (55/70) ======================= q-point: ( 0.33 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.625 3.967 0.215) 4.292 0.935 ( 0.394 0.846 -0.396) 1.014 1.097 ( 1.171 5.549 1.232) 5.804 1.152 ( -0.431 3.958 -0.254) 3.990 1.253 ( -0.405 3.218 -2.119) 3.874 1.293 ( 1.768 3.941 -0.551) 4.354 1.355 ( 1.064 4.483 0.139) 4.609 1.408 ( 0.559 4.308 1.056) 4.471 1.516 ( -0.420 7.187 0.779) 7.242 1.596 ( -0.309 3.124 -0.465) 3.174 1.704 ( 1.310 1.898 -0.025) 2.307 1.729 ( 1.662 0.599 0.712) 1.905 1.783 ( -0.338 1.285 1.009) 1.668 1.851 ( -1.138 4.025 -1.666) 4.503 1.910 ( -1.383 2.199 1.062) 2.807 1.924 ( -2.656 2.767 0.604) 3.883 1.998 ( -3.110 1.360 -2.377) 4.144 2.034 ( 0.226 1.047 -0.962) 1.440 2.066 ( 0.662 -0.367 0.832) 1.125 2.087 ( -0.947 1.336 1.393) 2.150 2.473 ( 3.549 6.675 -1.127) 7.644 2.543 ( 5.564 5.290 0.364) 7.686 2.605 ( 2.212 -0.994 -0.643) 2.509 2.723 ( -3.322 3.795 0.705) 5.092 2.772 ( -1.444 4.031 1.211) 4.450 2.809 ( -0.038 4.182 -0.644) 4.232 3.021 ( -3.469 2.090 0.048) 4.050 3.152 ( 0.389 11.605 0.179) 11.612 3.246 ( -2.485 8.816 0.271) 9.164 3.294 ( -1.779 4.491 0.282) 4.838 3.741 ( -3.728 8.557 -3.166) 9.856 3.977 ( 6.594 14.583 2.704) 16.231 4.091 ( 1.174 3.761 0.398) 3.960 4.282 ( 0.605 5.308 -1.508) 5.551 4.548 ( 1.574 3.317 0.424) 3.696 4.658 ( -0.644 8.722 0.049) 8.746 4.699 ( -2.021 2.358 0.377) 3.128 4.867 ( 1.491 1.509 -0.128) 2.126 5.031 ( -1.756 -0.896 0.151) 1.977 5.310 ( -2.332 -0.112 -0.171) 2.341 5.570 ( 0.124 -8.041 0.262) 8.047 5.637 ( 0.231 4.691 -0.122) 4.698 5.785 ( 1.456 1.105 0.074) 1.829 6.405 ( -0.915 0.937 0.097) 1.313 6.451 ( 1.855 2.733 0.211) 3.310 6.587 ( -0.909 1.426 -0.356) 1.728 6.666 ( 3.821 -0.320 -0.318) 3.848 6.845 ( 2.733 1.459 0.696) 3.175 6.896 ( 0.333 -2.281 -0.332) 2.329 7.077 ( 3.468 5.876 0.665) 6.855 7.194 ( -5.154 0.552 0.580) 5.216 7.228 ( -2.431 6.626 -1.124) 7.147 7.377 ( 1.703 1.110 -1.574) 2.572 7.463 ( 0.248 1.960 1.580) 2.530 7.580 ( -0.383 -1.188 -0.205) 1.265 7.711 ( -2.386 -0.994 1.140) 2.825 7.785 ( -2.736 0.258 -0.009) 2.749 7.872 ( 0.233 -1.642 -0.505) 1.733 7.889 ( 1.065 -1.275 -3.040) 3.465 7.984 ( -1.977 0.057 -1.430) 2.441 8.011 ( -0.949 -0.718 2.081) 2.397 8.132 ( 0.263 -2.369 2.085) 3.167 8.331 ( 3.041 1.698 -1.594) 3.830 8.355 ( -2.284 3.278 1.098) 4.143 8.667 ( -2.656 3.581 0.217) 4.464 8.755 ( 2.664 3.210 -1.507) 4.435 8.829 ( -1.054 2.080 1.097) 2.577 8.889 ( -2.857 3.367 0.189) 4.419 9.144 ( 0.117 2.733 0.489) 2.779 9.210 ( 0.118 9.039 -0.071) 9.040 9.308 ( -2.229 7.028 -0.843) 7.421 9.465 ( 1.085 -3.419 0.406) 3.610 ======================= Grid point 118 (56/70) ======================= q-point: (-0.50 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.121 4.657 0.327) 4.670 0.937 ( -0.074 1.086 -0.282) 1.124 1.124 ( 0.066 3.011 0.374) 3.035 1.146 ( 0.858 4.769 1.078) 4.964 1.231 ( -1.221 3.599 -2.581) 4.594 1.321 ( 0.756 3.177 -0.412) 3.292 1.360 ( -0.443 5.498 -0.485) 5.537 1.425 ( 0.630 3.151 1.399) 3.505 1.528 ( 1.105 8.706 1.641) 8.928 1.578 ( -0.976 0.481 -0.910) 1.418 1.732 ( 1.442 2.959 2.239) 3.980 1.759 ( 0.141 -0.929 0.384) 1.015 1.786 ( -1.089 1.343 -2.117) 2.734 1.798 ( -1.793 1.623 -0.225) 2.429 1.879 ( -0.040 4.073 0.362) 4.089 1.911 ( 0.208 6.032 1.058) 6.128 1.953 ( -0.187 0.402 -2.295) 2.337 2.028 ( -0.227 -0.171 0.042) 0.288 2.061 ( -0.945 0.489 -0.193) 1.081 2.117 ( 2.260 1.873 0.457) 2.970 2.513 ( -0.075 7.069 -0.420) 7.082 2.602 ( 0.698 3.053 0.760) 3.222 2.632 ( -3.105 -2.632 -1.495) 4.336 2.667 ( 2.122 2.828 0.055) 3.536 2.775 ( 0.471 5.535 1.906) 5.873 2.805 ( -0.426 3.085 -0.468) 3.150 2.983 ( -0.025 3.287 0.072) 3.288 3.156 ( 0.057 12.656 0.036) 12.656 3.217 ( -0.359 8.757 0.667) 8.790 3.282 ( 0.652 3.926 0.082) 3.981 3.685 ( -0.553 7.751 -2.273) 8.097 4.031 ( -1.672 14.712 -0.581) 14.818 4.159 ( 4.498 5.918 5.145) 9.041 4.256 ( -2.591 6.751 -4.017) 8.272 4.566 ( -0.238 1.244 0.984) 1.603 4.653 ( -0.009 8.764 0.015) 8.764 4.676 ( 0.153 2.789 -0.056) 2.794 4.895 ( 0.299 0.260 -0.341) 0.522 5.003 ( -0.209 -2.431 0.370) 2.468 5.284 ( 0.085 0.132 -0.296) 0.336 5.571 ( -0.048 -7.227 0.482) 7.244 5.633 ( 0.041 1.151 -0.277) 1.185 5.801 ( -0.043 3.981 -0.002) 3.982 6.391 ( -0.112 1.628 0.009) 1.632 6.492 ( 0.299 0.033 0.434) 0.528 6.558 ( -0.223 4.429 -0.284) 4.443 6.717 ( 0.325 -1.074 -0.802) 1.379 6.845 ( -0.672 -1.789 1.094) 2.202 6.947 ( -0.082 3.551 -0.074) 3.553 7.075 ( 0.417 -0.828 0.853) 1.260 7.171 ( 0.094 8.262 0.219) 8.266 7.197 ( 0.378 6.019 -1.776) 6.287 7.391 ( -0.106 1.317 -0.666) 1.480 7.470 ( 0.115 1.140 0.355) 1.199 7.578 ( -0.920 -0.591 1.103) 1.553 7.662 ( -0.197 -1.969 1.094) 2.261 7.766 ( 0.996 -0.801 -0.758) 1.486 7.866 ( -0.239 -2.031 -1.055) 2.301 7.895 ( -1.209 0.169 -0.581) 1.352 7.959 ( 0.831 -1.436 -2.987) 3.416 8.017 ( 0.572 -0.776 1.985) 2.207 8.140 ( 0.077 -2.613 1.632) 3.082 8.316 ( -1.870 4.288 2.403) 5.259 8.377 ( 1.779 1.971 -2.740) 3.815 8.638 ( -0.087 3.880 -0.082) 3.882 8.788 ( -2.137 2.574 1.162) 3.542 8.813 ( 1.980 0.032 -0.712) 2.104 8.859 ( -0.054 4.720 -0.042) 4.720 9.148 ( 0.234 2.166 0.162) 2.184 9.210 ( -0.096 9.407 0.094) 9.407 9.283 ( -0.163 8.664 -0.372) 8.674 9.475 ( 0.055 -3.511 0.143) 3.514 ======================= Grid point 119 (57/70) ======================= q-point: (-0.33 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 1.190 4.189 0.508) 4.384 0.934 ( -0.138 0.906 -0.320) 0.971 1.111 ( -0.596 4.664 0.625) 4.744 1.163 ( -0.257 3.623 -1.342) 3.872 1.212 ( -0.092 3.918 0.716) 3.984 1.317 ( -0.533 5.051 -2.221) 5.544 1.346 ( -1.026 4.748 0.549) 4.889 1.427 ( -0.507 2.902 0.099) 2.947 1.539 ( 0.104 6.283 -1.128) 6.384 1.572 ( -0.009 3.692 1.378) 3.941 1.708 ( -3.064 3.044 0.490) 4.347 1.734 ( -1.796 0.322 -0.677) 1.946 1.780 ( 2.538 2.559 2.473) 4.370 1.824 ( 0.925 1.166 -0.747) 1.666 1.915 ( 2.763 2.806 1.440) 4.193 1.924 ( 1.025 4.266 -0.003) 4.388 1.972 ( 2.034 0.981 -0.796) 2.394 2.020 ( -0.856 0.811 -0.024) 1.180 2.058 ( 0.879 -1.237 0.822) 1.726 2.153 ( 1.761 2.609 -2.313) 3.906 2.474 ( -3.105 4.981 -1.459) 6.048 2.545 ( -5.680 5.530 0.309) 7.934 2.574 ( -2.613 0.053 1.511) 3.019 2.734 ( 2.743 5.408 0.152) 6.066 2.791 ( 1.603 3.647 0.804) 4.064 2.799 ( 0.254 2.838 -0.922) 2.995 3.020 ( 3.435 2.237 0.069) 4.100 3.153 ( -0.489 11.538 0.143) 11.549 3.237 ( 2.114 8.774 0.660) 9.049 3.310 ( 2.033 4.190 -0.545) 4.688 3.713 ( 2.671 8.148 -1.143) 8.650 3.968 ( -3.802 15.082 2.257) 15.717 4.169 ( -4.147 1.875 -5.005) 6.765 4.229 ( 0.674 7.097 3.106) 7.776 4.546 ( -1.598 3.680 0.533) 4.047 4.658 ( 0.572 8.651 0.089) 8.671 4.703 ( 2.032 2.187 0.150) 2.989 4.873 ( -1.367 1.533 -0.506) 2.116 5.027 ( 1.693 -0.735 0.367) 1.882 5.312 ( 2.457 -0.209 -0.290) 2.483 5.569 ( -0.303 -8.066 0.319) 8.078 5.638 ( -0.114 4.773 -0.179) 4.778 5.785 ( -1.389 1.034 0.095) 1.734 6.403 ( 1.086 0.784 0.219) 1.357 6.458 ( -1.943 2.688 -0.152) 3.320 6.580 ( 0.469 1.574 0.062) 1.643 6.669 ( -3.849 -0.125 -0.502) 3.883 6.843 ( -1.755 1.185 0.879) 2.292 6.890 ( -1.029 -1.634 -0.039) 1.931 7.080 ( -3.701 5.310 0.426) 6.486 7.204 ( 5.362 0.237 0.131) 5.369 7.235 ( 3.075 6.690 -1.682) 7.552 7.372 ( -1.748 1.380 -1.203) 2.532 7.469 ( -0.375 1.537 1.265) 2.025 7.558 ( 0.030 -0.443 1.046) 1.137 7.703 ( 1.439 -1.249 1.491) 2.419 7.812 ( 3.582 -1.089 -1.629) 4.083 7.864 ( 0.118 -1.309 -0.436) 1.385 7.867 ( -0.674 1.075 -0.560) 1.386 7.983 ( 1.667 -1.095 -1.569) 2.537 8.031 ( 0.555 -1.058 0.499) 1.294 8.142 ( 0.116 -3.626 1.485) 3.920 8.282 ( -2.070 5.140 1.247) 5.680 8.401 ( 1.367 0.984 -1.715) 2.404 8.661 ( 2.101 3.738 0.677) 4.341 8.737 ( -2.325 3.010 -0.237) 3.811 8.846 ( 1.289 2.424 -0.285) 2.760 8.885 ( 2.246 3.342 0.538) 4.062 9.156 ( 0.548 1.671 -0.156) 1.766 9.208 ( -0.209 9.567 0.073) 9.570 9.298 ( 1.520 7.435 -0.180) 7.591 9.470 ( -0.766 -3.352 0.126) 3.441 ======================= Grid point 120 (58/70) ======================= q-point: (-0.17 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 1.501 3.146 0.607) 3.539 0.929 ( -0.449 0.243 -0.276) 0.580 1.114 ( 0.599 5.367 0.671) 5.442 1.140 ( -1.223 5.164 -1.921) 5.644 1.224 ( 0.710 3.240 2.284) 4.027 1.305 ( -0.140 6.380 -3.002) 7.052 1.322 ( -1.456 4.643 0.539) 4.895 1.411 ( -1.000 3.460 -0.390) 3.622 1.551 ( 1.271 3.136 -1.287) 3.620 1.568 ( -0.232 7.750 1.253) 7.854 1.675 ( -0.552 3.396 0.059) 3.441 1.710 ( -0.504 0.843 -0.004) 0.983 1.822 ( 0.297 3.466 -0.807) 3.571 1.843 ( 2.266 1.727 3.799) 4.749 1.899 ( -2.673 2.471 0.273) 3.650 1.963 ( 1.303 2.581 0.013) 2.891 1.994 ( -0.833 0.642 -0.100) 1.057 2.046 ( 3.400 1.319 0.241) 3.655 2.083 ( 1.697 -1.349 0.254) 2.183 2.178 ( 1.272 2.284 -2.712) 3.767 2.395 ( -5.148 6.480 0.486) 8.291 2.438 ( -3.650 6.774 -2.215) 8.007 2.549 ( -0.506 -0.176 1.736) 1.817 2.752 ( -0.255 7.565 2.797) 8.070 2.804 ( 0.646 6.021 -2.074) 6.401 2.854 ( 3.789 0.332 -0.569) 3.846 3.087 ( 2.940 0.746 0.222) 3.041 3.143 ( -0.308 9.723 0.141) 9.729 3.283 ( 1.945 9.524 0.348) 9.727 3.337 ( 0.262 8.444 -0.114) 8.449 3.729 ( -0.779 11.343 -0.392) 11.377 3.953 ( 1.954 8.220 2.762) 8.889 4.070 ( -4.490 0.260 -5.191) 6.869 4.228 ( -1.145 4.360 2.421) 5.117 4.518 ( -1.200 8.977 -0.071) 9.057 4.673 ( 0.830 4.856 0.145) 4.928 4.739 ( 1.491 4.459 0.384) 4.718 4.866 ( 0.768 3.122 -0.537) 3.259 5.053 ( 0.894 2.144 0.339) 2.347 5.353 ( 1.603 0.176 -0.230) 1.629 5.555 ( -2.964 -1.873 -0.168) 3.510 5.579 ( -3.866 3.663 0.297) 5.334 5.800 ( 3.195 -5.824 -0.030) 6.643 6.408 ( -1.005 1.160 -0.398) 1.586 6.454 ( 1.562 2.376 -0.046) 2.844 6.564 ( -0.825 -0.325 0.761) 1.168 6.601 ( -3.598 0.659 -0.070) 3.658 6.809 ( -0.763 2.622 -0.067) 2.731 6.880 ( -1.726 1.651 0.161) 2.394 7.040 ( 0.490 -0.972 0.090) 1.092 7.275 ( 1.738 5.053 -0.038) 5.343 7.304 ( 2.787 -2.136 -0.782) 3.597 7.333 ( -0.551 3.255 -1.467) 3.612 7.466 ( -0.227 2.278 1.998) 3.038 7.589 ( 2.499 -0.043 0.283) 2.515 7.682 ( -2.808 -0.340 -0.100) 2.830 7.839 ( -0.377 -1.639 0.495) 1.753 7.873 ( 0.832 -1.551 0.828) 1.945 7.906 ( 3.464 3.176 -2.712) 5.426 7.999 ( -0.242 -0.750 0.616) 1.001 8.036 ( 0.212 0.475 -0.665) 0.845 8.161 ( 1.173 -5.552 1.714) 5.927 8.250 ( -1.067 4.019 -0.927) 4.261 8.421 ( 0.821 0.044 0.048) 0.824 8.684 ( -0.810 4.716 1.032) 4.895 8.734 ( 2.906 4.378 -1.308) 5.415 8.863 ( 0.295 4.228 -1.166) 4.395 8.929 ( 1.760 2.955 2.237) 4.103 9.169 ( 1.008 0.987 -1.360) 1.960 9.202 ( -0.310 9.466 0.133) 9.472 9.331 ( 1.667 3.835 0.707) 4.241 9.444 ( -1.811 -2.452 -0.158) 3.053 ======================= Grid point 121 (59/70) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.352 0.580 0.123) 0.689 0.913 ( -0.338 -0.254 0.030) 0.424 1.191 ( -0.238 2.065 0.154) 2.085 1.204 ( 0.182 2.142 -0.483) 2.203 1.300 ( 0.315 2.525 0.826) 2.675 1.323 ( -0.424 1.904 -0.018) 1.951 1.443 ( -0.234 4.266 -0.212) 4.278 1.463 ( 0.188 1.581 -0.027) 1.593 1.554 ( 0.511 -0.916 -0.582) 1.199 1.656 ( -0.448 -3.025 -2.074) 3.695 1.729 ( 0.083 6.810 0.104) 6.811 1.768 ( 0.106 4.382 0.123) 4.385 1.879 ( 0.298 0.469 4.777) 4.809 1.940 ( -0.993 3.316 -0.719) 3.536 1.971 ( -0.108 -0.206 0.007) 0.233 1.986 ( 0.914 7.993 -0.472) 8.059 2.033 ( -0.037 3.198 -0.565) 3.248 2.088 ( 1.309 -1.815 0.221) 2.249 2.094 ( 0.151 0.643 0.379) 0.761 2.176 ( -2.029 -0.999 -1.936) 2.977 2.395 ( 0.769 -2.487 -0.540) 2.658 2.464 ( -0.445 2.151 -0.993) 2.410 2.538 ( 0.234 -0.525 1.428) 1.539 2.706 ( -0.129 -13.035 0.372) 13.041 2.879 ( -0.258 5.251 1.297) 5.415 2.919 ( 0.333 4.100 -1.240) 4.297 3.232 ( -0.176 7.761 -0.059) 7.763 3.311 ( 0.065 7.325 0.454) 7.339 3.437 ( -0.076 3.608 0.254) 3.618 3.487 ( -0.087 3.060 -0.159) 3.065 3.921 ( 1.529 7.324 -1.210) 7.579 3.999 ( -1.911 3.162 1.375) 3.942 4.144 ( 1.027 6.792 -1.575) 7.048 4.293 ( -0.401 4.277 0.835) 4.376 4.736 ( 0.019 10.407 -0.135) 10.408 4.757 ( 0.077 5.701 0.007) 5.701 4.877 ( -0.099 5.567 0.205) 5.572 4.979 ( -0.027 5.794 -0.072) 5.794 5.116 ( -0.067 1.992 0.249) 2.009 5.340 ( -0.131 -11.199 0.145) 11.200 5.397 ( 0.190 2.002 -0.234) 2.025 5.710 ( -0.048 -6.904 -0.006) 6.904 5.750 ( 0.013 13.995 0.059) 13.995 6.343 ( -0.154 -4.810 -0.290) 4.822 6.504 ( 0.768 -0.224 0.486) 0.936 6.533 ( -0.508 -0.239 -0.180) 0.590 6.618 ( 0.029 3.689 -0.071) 3.690 6.868 ( 0.004 -3.616 0.109) 3.617 6.874 ( -0.307 4.577 -0.011) 4.587 7.059 ( 0.171 3.439 0.272) 3.454 7.245 ( -0.127 -1.688 -0.180) 1.702 7.379 ( 0.632 3.487 1.096) 3.709 7.412 ( -0.439 2.976 -2.040) 3.635 7.532 ( -0.161 3.439 1.616) 3.803 7.579 ( -0.344 -4.324 -0.950) 4.441 7.668 ( 0.738 0.870 -0.138) 1.149 7.825 ( 0.495 -0.016 1.306) 1.397 7.834 ( 0.214 -2.266 0.472) 2.325 7.887 ( -1.170 -2.635 -2.633) 3.905 8.013 ( 0.295 -4.844 0.912) 4.938 8.068 ( 0.095 4.007 -0.122) 4.010 8.116 ( -0.194 0.809 0.285) 0.879 8.287 ( 0.023 1.944 0.142) 1.949 8.411 ( -0.155 -1.419 0.007) 1.428 8.783 ( 0.149 4.692 -0.182) 4.698 8.857 ( 1.128 2.591 -1.297) 3.109 8.923 ( -1.548 3.404 0.231) 3.746 9.000 ( 0.491 1.084 1.178) 1.675 9.199 ( -0.375 1.425 -0.437) 1.537 9.318 ( 0.382 -2.627 0.314) 2.674 9.357 ( 0.039 6.316 0.008) 6.316 9.448 ( -0.127 2.077 -0.019) 2.081 ======================= Grid point 122 (60/70) ======================= q-point: ( 0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.361 1.145 0.106) 1.205 0.927 ( 0.989 -0.111 0.063) 0.997 1.181 ( -0.573 2.569 0.222) 2.641 1.212 ( 0.521 1.923 -0.441) 2.041 1.300 ( -0.443 1.410 -0.172) 1.488 1.324 ( 0.529 2.881 0.960) 3.082 1.439 ( -0.007 3.874 0.050) 3.874 1.469 ( 0.424 1.841 -0.294) 1.912 1.551 ( -0.493 -1.006 -1.398) 1.792 1.659 ( 0.838 -3.341 -0.685) 3.512 1.724 ( -0.735 6.612 0.108) 6.654 1.768 ( 0.009 4.064 0.117) 4.066 1.869 ( -2.469 2.652 2.887) 4.633 1.905 ( -1.082 0.247 -0.217) 1.131 1.954 ( 0.527 1.770 -0.246) 1.863 2.014 ( -1.606 2.873 -0.305) 3.306 2.043 ( 0.105 3.837 0.440) 3.864 2.063 ( -0.184 0.041 -0.771) 0.794 2.107 ( -0.856 0.274 3.712) 3.819 2.117 ( -2.712 0.356 -4.010) 4.854 2.428 ( 2.148 -3.831 -1.223) 4.559 2.510 ( 4.986 1.959 0.250) 5.363 2.554 ( 1.109 -0.099 0.200) 1.132 2.703 ( -0.419 -10.712 0.469) 10.730 2.866 ( -1.407 5.040 1.072) 5.341 2.919 ( -0.247 3.792 -1.047) 3.942 3.186 ( -3.829 7.196 0.288) 8.157 3.317 ( 0.598 7.110 0.510) 7.153 3.410 ( -3.569 2.601 0.647) 4.463 3.436 ( -3.018 3.373 -0.757) 4.589 3.946 ( -0.675 5.649 -1.958) 6.016 4.029 ( 4.750 5.172 2.406) 7.423 4.168 ( 2.400 7.231 -2.163) 7.920 4.326 ( 3.060 4.118 1.076) 5.242 4.704 ( -3.205 8.755 -0.120) 9.324 4.749 ( -0.433 4.286 0.053) 4.308 4.876 ( -0.160 7.669 0.212) 7.674 4.944 ( -2.428 4.947 -0.159) 5.513 5.093 ( -2.441 1.532 0.341) 2.902 5.354 ( 0.813 -6.904 0.356) 6.961 5.388 ( -0.461 -1.060 -0.460) 1.244 5.668 ( -3.654 -5.565 0.018) 6.657 5.837 ( 7.302 12.677 0.026) 14.630 6.363 ( 1.540 -3.911 0.140) 4.206 6.496 ( -0.905 1.114 -0.544) 1.534 6.553 ( 1.948 -1.559 0.272) 2.510 6.636 ( 1.749 2.849 -0.115) 3.345 6.849 ( -1.604 -3.524 0.213) 3.878 6.876 ( 0.871 4.773 0.285) 4.861 7.100 ( 4.018 3.740 0.054) 5.490 7.232 ( -1.506 -1.120 0.273) 1.897 7.385 ( -0.798 3.682 -0.904) 3.874 7.399 ( 0.014 2.778 -0.816) 2.896 7.509 ( -2.250 1.171 1.727) 3.069 7.561 ( -0.686 -2.008 -0.268) 2.139 7.691 ( 0.944 -0.447 -0.835) 1.338 7.831 ( -0.376 -1.185 0.081) 1.246 7.839 ( -1.131 -2.481 2.106) 3.445 7.853 ( -0.333 -0.805 -2.488) 2.636 7.997 ( -1.863 -4.194 0.237) 4.595 8.061 ( -1.179 3.740 0.261) 3.930 8.111 ( 0.175 1.083 0.318) 1.143 8.313 ( 2.384 1.713 0.003) 2.935 8.406 ( -0.408 -0.571 0.075) 0.705 8.777 ( -0.995 3.755 0.484) 3.915 8.819 ( -3.061 2.552 -2.958) 4.963 8.900 ( -1.633 2.446 2.161) 3.649 8.978 ( -2.436 0.544 0.057) 2.496 9.194 ( 0.353 2.646 0.219) 2.678 9.350 ( 1.314 0.552 -0.194) 1.439 9.369 ( 1.577 3.040 -0.269) 3.436 9.441 ( -0.523 2.739 0.287) 2.803 ======================= Grid point 123 (61/70) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.438 2.350 0.402) 2.424 0.944 ( 0.743 0.165 -0.179) 0.782 1.176 ( 0.027 2.732 0.282) 2.747 1.218 ( 0.185 2.280 -0.350) 2.314 1.290 ( -0.369 1.746 -0.684) 1.912 1.340 ( 0.780 1.808 1.376) 2.402 1.443 ( 0.353 3.127 0.336) 3.164 1.475 ( 0.192 1.966 -0.599) 2.064 1.542 ( -0.013 -2.068 -1.421) 2.509 1.670 ( -0.119 -3.849 0.465) 3.878 1.705 ( -0.762 6.170 0.124) 6.218 1.774 ( 0.658 3.468 0.258) 3.539 1.832 ( -1.266 3.458 1.023) 3.822 1.888 ( -1.381 -0.142 -0.420) 1.450 1.956 ( -0.720 2.030 0.418) 2.194 1.978 ( -1.894 -1.233 -0.461) 2.307 2.023 ( -1.067 1.857 0.157) 2.147 2.053 ( -1.114 -1.061 -2.748) 3.149 2.083 ( 1.223 4.177 0.785) 4.422 2.106 ( -0.532 3.534 1.799) 4.001 2.465 ( 1.976 -6.270 -0.915) 6.638 2.578 ( 1.620 0.922 -1.401) 2.332 2.613 ( 4.513 0.330 0.646) 4.571 2.677 ( -2.903 -6.227 0.738) 6.909 2.839 ( -0.876 3.732 0.493) 3.865 2.904 ( -1.076 3.268 0.130) 3.443 3.116 ( -3.032 6.625 0.411) 7.298 3.330 ( -0.961 3.090 1.604) 3.612 3.343 ( -0.651 5.136 -0.855) 5.247 3.394 ( -1.649 5.041 -0.843) 5.370 3.894 ( -3.375 7.131 -1.649) 8.059 4.119 ( 3.006 0.400 1.506) 3.386 4.246 ( 5.365 10.133 -0.216) 11.468 4.380 ( 1.912 4.273 -0.385) 4.697 4.639 ( -2.986 5.204 0.211) 6.004 4.743 ( -0.196 3.606 0.109) 3.613 4.868 ( -0.583 9.886 -0.126) 9.904 4.919 ( -0.110 3.569 -0.124) 3.573 5.033 ( -3.330 0.860 0.480) 3.473 5.339 ( -1.648 2.545 -0.067) 3.033 5.405 ( 1.444 -8.344 0.067) 8.469 5.603 ( -2.580 -4.440 -0.024) 5.136 5.950 ( 3.462 11.134 -0.101) 11.660 6.382 ( 0.323 -2.953 -0.081) 2.972 6.488 ( 0.263 1.369 0.198) 1.408 6.593 ( 1.740 -0.489 -0.246) 1.824 6.675 ( 2.140 1.332 -0.208) 2.529 6.823 ( -0.985 -2.722 0.233) 2.904 6.928 ( 4.803 4.589 0.576) 6.668 7.172 ( -4.152 2.440 0.568) 4.849 7.204 ( 5.219 1.151 -0.221) 5.349 7.350 ( -2.029 4.755 -1.671) 5.433 7.407 ( 0.896 1.707 -0.577) 2.012 7.481 ( -1.034 -0.665 1.758) 2.145 7.553 ( 0.112 -0.679 -0.010) 0.688 7.679 ( -2.652 -2.318 -0.327) 3.538 7.786 ( -2.586 0.009 0.140) 2.590 7.829 ( 0.035 -1.703 -0.650) 1.823 7.869 ( 1.123 -0.680 -0.664) 1.471 7.952 ( -2.620 -2.868 0.051) 3.885 8.036 ( -0.987 3.244 0.942) 3.519 8.121 ( 0.478 0.774 0.343) 0.972 8.359 ( 1.872 1.300 0.479) 2.329 8.401 ( 0.128 0.975 -0.786) 1.259 8.734 ( -2.554 2.933 0.208) 3.895 8.792 ( 0.275 0.808 -1.856) 2.043 8.862 ( -2.218 1.595 1.583) 3.157 8.934 ( -1.771 0.918 0.071) 1.996 9.203 ( 0.222 3.313 0.274) 3.332 9.362 ( 0.423 4.711 0.112) 4.731 9.394 ( 0.684 0.074 -0.956) 1.177 9.434 ( -0.276 2.754 0.615) 2.836 ======================= Grid point 124 (62/70) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.058 2.901 0.482) 2.941 0.951 ( -0.000 0.341 -0.197) 0.394 1.179 ( 0.046 2.481 0.226) 2.492 1.220 ( 0.089 2.498 -0.265) 2.513 1.284 ( -0.121 2.458 -0.690) 2.556 1.352 ( 0.039 0.724 1.266) 1.459 1.450 ( 0.184 2.980 0.393) 3.012 1.475 ( -0.068 1.453 -0.509) 1.541 1.541 ( -0.096 -2.835 -1.231) 3.092 1.664 ( 0.305 -1.677 0.903) 1.929 1.705 ( 0.303 3.515 -0.256) 3.537 1.791 ( 0.700 2.200 0.488) 2.360 1.825 ( -0.106 3.102 0.049) 3.104 1.846 ( -1.870 2.715 0.729) 3.376 1.938 ( -0.859 -0.532 -0.513) 1.134 1.953 ( 0.451 2.000 -0.584) 2.132 2.013 ( 0.013 -0.497 0.456) 0.674 2.044 ( -0.431 -0.923 -1.304) 1.655 2.090 ( -0.489 8.684 0.237) 8.701 2.132 ( 2.531 0.363 0.684) 2.646 2.486 ( -0.501 -8.325 -0.640) 8.365 2.601 ( -2.165 1.558 -0.003) 2.667 2.623 ( 1.542 -2.928 -0.691) 3.381 2.662 ( 0.502 -1.250 0.420) 1.411 2.840 ( 0.465 2.487 -0.008) 2.530 2.889 ( -0.345 2.980 1.137) 3.208 3.087 ( 0.068 6.795 0.336) 6.803 3.311 ( -0.159 1.007 0.606) 1.186 3.355 ( 0.373 7.348 0.194) 7.360 3.372 ( -0.270 5.166 -1.156) 5.301 3.848 ( -0.463 8.306 -1.349) 8.427 4.153 ( 0.495 -0.599 1.064) 1.317 4.316 ( 0.650 8.858 0.604) 8.902 4.389 ( -0.822 5.230 -0.956) 5.380 4.607 ( -0.079 3.660 0.307) 3.673 4.741 ( 0.019 2.997 0.042) 2.997 4.862 ( 0.056 10.863 -0.155) 10.865 4.923 ( 0.198 2.669 -0.341) 2.698 4.996 ( -0.082 1.309 0.645) 1.462 5.320 ( 0.043 3.199 -0.199) 3.206 5.420 ( -0.092 -8.047 0.308) 8.054 5.578 ( 0.064 -4.400 -0.106) 4.401 5.976 ( -0.028 10.543 -0.162) 10.544 6.381 ( -0.214 -2.563 -0.199) 2.579 6.497 ( 0.235 0.951 0.455) 1.080 6.608 ( -0.094 1.316 -0.191) 1.333 6.702 ( 0.221 -0.163 -0.606) 0.665 6.810 ( -0.425 -1.803 0.691) 1.977 7.043 ( 2.381 5.363 0.791) 5.921 7.066 ( -2.243 0.362 0.024) 2.272 7.269 ( -0.320 1.711 0.179) 1.750 7.326 ( 0.374 5.579 -1.722) 5.851 7.423 ( 0.020 1.726 -0.680) 1.855 7.474 ( 0.593 -1.021 1.044) 1.576 7.570 ( 0.024 -0.246 0.552) 0.604 7.613 ( -0.936 -2.771 0.083) 2.926 7.765 ( 0.501 0.934 -0.478) 1.163 7.828 ( -0.029 -1.284 -0.554) 1.399 7.886 ( 0.047 -0.798 -0.550) 0.970 7.914 ( -0.409 -2.638 0.169) 2.675 8.032 ( 0.232 2.542 0.862) 2.694 8.127 ( 0.003 0.552 0.381) 0.671 8.375 ( -0.257 1.926 1.042) 2.205 8.407 ( 0.413 0.761 -1.629) 1.845 8.708 ( -0.133 2.894 -0.038) 2.897 8.794 ( -0.373 -0.823 -0.355) 0.971 8.842 ( 0.304 1.992 0.398) 2.054 8.917 ( 0.040 1.147 0.271) 1.179 9.204 ( 0.045 3.389 0.158) 3.393 9.369 ( 0.189 5.845 0.309) 5.856 9.394 ( -0.304 0.137 -0.855) 0.918 9.433 ( 0.084 2.126 0.407) 2.166 ======================= Grid point 125 (63/70) ======================= q-point: (-0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.202 2.445 0.490) 2.501 0.945 ( -0.568 0.231 -0.224) 0.653 1.179 ( 0.076 2.451 0.160) 2.457 1.219 ( -0.208 1.951 -0.473) 2.018 1.284 ( 0.201 3.519 -0.119) 3.527 1.347 ( -0.676 0.513 0.896) 1.234 1.451 ( -0.149 3.680 -0.050) 3.683 1.469 ( -0.339 1.044 -0.295) 1.137 1.534 ( -0.033 -2.509 -1.094) 2.737 1.684 ( 0.768 -3.657 -0.372) 3.755 1.711 ( 0.631 6.166 -0.372) 6.210 1.774 ( -1.559 3.637 -0.010) 3.957 1.832 ( 1.370 2.362 3.039) 4.085 1.855 ( 0.974 1.860 -0.080) 2.101 1.951 ( 1.941 -1.258 0.681) 2.411 1.978 ( 1.949 2.353 -0.668) 3.128 2.021 ( 1.023 -0.178 0.508) 1.156 2.025 ( -1.072 0.810 -0.229) 1.363 2.084 ( -0.425 7.077 0.067) 7.090 2.172 ( 1.797 0.035 -2.389) 2.990 2.449 ( -2.341 -6.284 0.138) 6.707 2.557 ( -1.749 0.529 0.319) 1.855 2.619 ( -3.735 0.855 -0.195) 3.837 2.688 ( 2.296 -6.571 0.103) 6.961 2.854 ( 1.229 3.705 -0.591) 3.948 2.895 ( 0.562 3.564 0.876) 3.713 3.120 ( 3.144 6.754 0.161) 7.452 3.319 ( 0.187 3.844 1.239) 4.043 3.359 ( 1.372 4.328 -0.555) 4.574 3.387 ( 1.693 4.534 -0.614) 4.879 3.874 ( 2.641 7.812 -0.224) 8.250 4.139 ( -2.164 0.321 0.107) 2.191 4.260 ( -5.556 8.728 -1.266) 10.423 4.360 ( -1.884 5.597 1.032) 5.995 4.638 ( 2.913 5.060 0.267) 5.844 4.744 ( 0.241 3.524 0.045) 3.533 4.868 ( 0.491 9.982 -0.108) 9.995 4.924 ( 0.302 3.401 -0.451) 3.444 5.033 ( 3.304 0.996 0.478) 3.483 5.341 ( 1.907 2.919 -0.199) 3.492 5.401 ( -1.785 -8.782 0.288) 8.966 5.605 ( 2.651 -4.488 -0.131) 5.214 5.949 ( -3.466 11.142 -0.026) 11.669 6.377 ( -0.212 -3.002 0.223) 3.017 6.495 ( -0.315 1.418 -0.209) 1.468 6.588 ( -1.982 -0.386 0.046) 2.020 6.678 ( -2.115 1.203 -0.400) 2.466 6.816 ( 0.982 -2.392 0.677) 2.673 6.939 ( -4.762 4.793 -0.104) 6.757 7.167 ( 3.669 2.396 0.825) 4.459 7.198 ( -4.681 0.140 0.073) 4.684 7.355 ( 2.363 4.592 -1.781) 5.463 7.409 ( -0.840 2.182 -0.792) 2.468 7.496 ( 0.989 0.514 1.226) 1.657 7.541 ( -0.439 -1.036 0.252) 1.153 7.663 ( 2.315 -2.424 0.587) 3.403 7.794 ( 1.997 -0.507 -0.369) 2.093 7.828 ( 0.081 -1.266 -0.408) 1.333 7.878 ( 0.513 -0.566 -1.671) 1.838 7.937 ( 1.828 -2.712 1.436) 3.572 8.044 ( 0.918 2.591 0.335) 2.769 8.123 ( -0.455 0.674 0.245) 0.849 8.353 ( -2.106 2.237 0.644) 3.139 8.411 ( 0.350 -0.018 -1.204) 1.253 8.727 ( 1.975 2.803 0.631) 3.486 8.785 ( 0.104 1.653 -1.108) 1.993 8.871 ( 2.407 0.920 0.764) 2.687 8.935 ( 1.552 1.147 0.038) 1.930 9.206 ( -0.038 3.149 0.089) 3.151 9.368 ( -0.354 6.424 -0.140) 6.435 9.381 ( -1.015 -0.850 -0.141) 1.332 9.438 ( 0.384 2.063 0.201) 2.108 ======================= Grid point 126 (64/70) ======================= q-point: (-0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.364 1.348 0.281) 1.424 0.929 ( -1.018 -0.156 -0.067) 1.032 1.185 ( 0.518 2.155 0.037) 2.216 1.210 ( -0.485 1.966 -0.467) 2.078 1.291 ( 0.448 3.644 0.527) 3.709 1.334 ( -0.725 0.833 0.306) 1.146 1.447 ( -0.156 4.234 -0.459) 4.262 1.463 ( -0.232 1.409 0.096) 1.431 1.540 ( 0.782 -1.973 -0.856) 2.288 1.677 ( -0.935 -3.045 -1.878) 3.697 1.724 ( 0.477 7.069 -0.196) 7.088 1.763 ( 0.170 4.540 0.673) 4.593 1.858 ( 0.635 0.325 4.486) 4.542 1.896 ( 3.553 2.826 -0.534) 4.572 1.964 ( -0.912 1.998 -0.578) 2.271 2.015 ( 1.793 2.695 -0.583) 3.289 2.036 ( 0.809 2.380 0.678) 2.603 2.043 ( 0.266 -1.282 0.864) 1.569 2.076 ( 1.079 3.599 0.056) 3.758 2.192 ( 0.698 -0.611 -3.230) 3.361 2.410 ( -1.759 -3.854 0.064) 4.237 2.523 ( -4.623 1.498 -1.008) 4.964 2.540 ( -0.875 0.100 1.456) 1.701 2.708 ( 0.031 -10.478 0.164) 10.479 2.874 ( 0.540 4.879 0.956) 5.001 2.910 ( 0.875 3.942 -0.909) 4.139 3.191 ( 3.713 7.329 -0.019) 8.216 3.313 ( -0.489 6.954 0.740) 7.011 3.419 ( 2.122 4.352 0.710) 4.894 3.431 ( 4.421 1.512 -1.027) 4.784 3.913 ( 0.713 7.258 0.510) 7.310 4.071 ( -4.599 1.429 -0.142) 4.818 4.158 ( -3.184 9.161 -1.973) 9.897 4.323 ( -2.188 4.564 1.316) 5.230 4.703 ( 3.260 8.643 -0.030) 9.237 4.749 ( 0.293 4.360 0.019) 4.370 4.877 ( 0.265 7.615 0.177) 7.621 4.947 ( 2.222 4.908 -0.333) 5.398 5.094 ( 2.368 1.642 0.273) 2.894 5.362 ( -1.915 -10.398 -0.015) 10.573 5.378 ( 1.632 2.305 0.022) 2.825 5.670 ( 3.598 -5.601 -0.083) 6.658 5.836 ( -7.268 12.610 0.070) 14.555 6.365 ( -1.262 -4.245 0.001) 4.429 6.491 ( 0.146 1.262 -0.278) 1.300 6.551 ( -1.327 -1.052 0.421) 1.745 6.637 ( -1.852 2.855 -0.182) 3.408 6.846 ( 1.804 -3.523 0.287) 3.968 6.885 ( -1.186 4.787 -0.251) 4.938 7.094 ( -3.847 3.620 0.433) 5.300 7.235 ( 1.623 -1.711 0.142) 2.363 7.373 ( -0.169 3.302 -0.325) 3.322 7.410 ( 1.044 3.229 -1.389) 3.667 7.519 ( 1.022 2.707 1.758) 3.385 7.559 ( 1.738 -2.811 -0.703) 3.378 7.674 ( -0.638 -0.679 0.167) 0.947 7.817 ( 0.358 -0.890 1.077) 1.442 7.830 ( 0.182 -1.550 -0.066) 1.562 7.896 ( 0.898 -2.133 -2.831) 3.657 7.982 ( 2.328 -3.444 1.593) 4.452 8.063 ( 0.660 3.315 0.095) 3.381 8.115 ( -0.144 0.636 0.095) 0.659 8.310 ( -2.122 2.108 0.182) 2.996 8.413 ( 0.015 -1.016 -0.347) 1.073 8.770 ( 1.456 3.850 0.832) 4.199 8.807 ( 2.872 2.942 -1.597) 4.411 8.924 ( 2.095 1.884 0.137) 2.821 8.968 ( 1.839 1.020 0.717) 2.222 9.201 ( -0.247 2.224 -0.223) 2.249 9.346 ( -2.206 -1.350 -0.033) 2.587 9.362 ( -0.540 5.863 0.227) 5.892 9.446 ( 0.314 2.048 -0.018) 2.072 ======================= Grid point 127 (65/70) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -0.023 0.067 0.134) 0.152 0.914 ( -0.024 -0.158 0.084) 0.181 1.212 ( -0.031 0.484 0.077) 0.491 1.218 ( 0.011 -0.169 -0.048) 0.176 1.355 ( -0.058 2.949 0.416) 2.979 1.372 ( 0.068 2.331 -0.201) 2.341 1.442 ( 0.109 -1.827 0.267) 1.849 1.463 ( 0.079 -2.080 -0.383) 2.116 1.569 ( 0.444 1.650 -0.295) 1.734 1.601 ( -0.384 -1.915 -1.678) 2.575 1.827 ( -0.537 3.639 2.619) 4.516 1.866 ( 0.631 1.767 1.669) 2.511 1.885 ( -0.115 2.577 0.429) 2.615 1.957 ( 0.473 -2.363 -1.930) 3.088 1.970 ( -0.715 1.306 0.256) 1.511 2.017 ( 0.497 -2.895 0.214) 2.946 2.083 ( -0.430 2.020 -0.757) 2.200 2.122 ( -1.056 -1.126 -0.213) 1.559 2.159 ( 1.482 6.911 0.107) 7.069 2.195 ( -0.746 5.888 -1.520) 6.127 2.312 ( 0.686 -4.490 -0.117) 4.544 2.406 ( 0.067 -9.666 -0.200) 9.668 2.527 ( 0.199 -0.282 0.957) 1.017 2.537 ( -0.624 -1.721 0.125) 1.835 2.954 ( -0.074 2.340 0.252) 2.355 2.969 ( 0.115 0.885 -0.234) 0.922 3.369 ( -0.292 5.852 -0.048) 5.859 3.421 ( -0.144 3.321 1.355) 3.590 3.461 ( -0.063 -0.974 -0.784) 1.252 3.485 ( 0.328 -1.792 -0.151) 1.828 4.018 ( 0.496 2.969 -0.447) 3.044 4.043 ( -0.123 0.579 -0.205) 0.626 4.276 ( -0.008 5.615 -0.176) 5.618 4.338 ( -0.220 -0.353 0.322) 0.526 4.872 ( -0.021 6.323 -0.005) 6.323 4.932 ( 0.564 8.590 0.076) 8.608 4.940 ( -0.539 0.202 0.069) 0.580 5.084 ( -0.206 3.409 0.408) 3.440 5.117 ( 0.134 -7.542 -0.507) 7.560 5.139 ( 0.053 -2.675 0.211) 2.684 5.461 ( 0.052 4.572 -0.044) 4.572 5.574 ( -0.014 -6.638 0.003) 6.638 6.010 ( 0.034 12.045 0.074) 12.046 6.213 ( -0.002 -8.477 0.019) 8.477 6.505 ( 0.165 0.399 0.152) 0.458 6.519 ( -0.233 -0.960 -0.249) 1.018 6.698 ( -0.014 4.241 -0.167) 4.244 6.783 ( -0.026 -4.408 0.235) 4.415 6.974 ( -0.112 5.171 -0.000) 5.172 7.061 ( 0.129 -3.178 -0.379) 3.203 7.295 ( 0.030 5.760 0.537) 5.785 7.399 ( 0.342 -2.798 -0.042) 2.819 7.457 ( -0.218 1.658 -0.638) 1.790 7.490 ( -0.371 -2.987 -0.421) 3.039 7.599 ( 0.062 3.400 0.824) 3.499 7.659 ( 0.409 -2.086 0.557) 2.198 7.806 ( 0.229 -0.657 0.257) 0.742 7.811 ( -0.504 -1.027 -0.135) 1.152 7.881 ( -0.116 2.021 -1.053) 2.282 7.934 ( 0.141 -3.218 0.693) 3.295 8.121 ( 0.055 1.441 -0.068) 1.444 8.131 ( 0.001 0.293 0.043) 0.296 8.326 ( -0.027 2.219 -0.013) 2.220 8.373 ( -0.044 -2.369 -0.163) 2.375 8.856 ( 0.133 2.640 -0.588) 2.708 8.883 ( 0.472 0.003 -0.917) 1.031 8.975 ( -0.721 1.929 0.504) 2.120 9.001 ( 0.125 -0.730 0.778) 1.074 9.231 ( -0.090 1.860 0.010) 1.862 9.271 ( 0.095 -2.161 0.127) 2.167 9.446 ( 0.027 2.795 -0.009) 2.795 9.471 ( 0.011 0.099 -0.007) 0.100 ======================= Grid point 128 (66/70) ======================= q-point: ( 0.17 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.636 0.374 0.126) 0.748 0.923 ( 0.973 -0.196 0.129) 1.001 1.211 ( 0.054 0.901 0.087) 0.907 1.223 ( 0.429 -0.300 -0.081) 0.530 1.356 ( -0.036 3.618 0.270) 3.629 1.375 ( 0.259 2.248 -0.120) 2.266 1.447 ( 0.262 -2.253 0.362) 2.297 1.458 ( -0.484 -2.256 -0.632) 2.392 1.563 ( -0.833 1.529 -1.082) 2.050 1.595 ( -0.042 -2.229 -0.537) 2.293 1.820 ( -0.692 3.483 2.077) 4.114 1.864 ( -1.444 3.895 -0.695) 4.212 1.873 ( -0.441 -0.602 1.865) 2.009 1.935 ( -1.918 2.598 0.288) 3.242 1.948 ( -0.938 -2.249 -1.596) 2.913 2.002 ( -2.063 -3.064 0.435) 3.719 2.055 ( -1.980 0.977 0.024) 2.208 2.084 ( -2.523 -1.394 0.969) 3.041 2.156 ( -0.579 5.915 -1.381) 6.101 2.218 ( 1.633 5.126 -0.748) 5.431 2.332 ( 1.520 -2.863 -0.277) 3.254 2.450 ( 3.505 -9.049 -0.293) 9.708 2.553 ( 2.075 0.104 -0.107) 2.081 2.565 ( 3.010 -1.353 0.803) 3.397 2.940 ( -1.483 2.485 0.166) 2.899 2.961 ( -0.963 0.494 -0.196) 1.100 3.315 ( -4.470 5.465 0.438) 7.073 3.390 ( -4.079 -1.480 1.499) 4.591 3.439 ( -0.618 2.679 -1.078) 2.953 3.470 ( -0.798 0.026 -0.234) 0.832 4.032 ( 0.265 3.218 -0.576) 3.280 4.069 ( 1.996 -0.373 -0.460) 2.082 4.308 ( 3.388 5.714 -0.059) 6.644 4.370 ( 3.091 -0.323 0.520) 3.151 4.829 ( -4.848 4.179 0.022) 6.401 4.843 ( -3.496 3.236 -0.043) 4.764 5.009 ( 2.684 6.096 0.033) 6.660 5.042 ( -3.323 4.353 0.122) 5.477 5.101 ( -2.839 -1.017 0.150) 3.019 5.166 ( 3.494 -8.948 -0.034) 9.606 5.448 ( -1.290 4.444 -0.084) 4.628 5.551 ( -2.037 -5.873 -0.005) 6.217 6.075 ( 5.292 10.882 -0.016) 12.100 6.254 ( 3.175 -7.266 0.029) 7.930 6.508 ( 0.070 0.476 -0.184) 0.515 6.524 ( 1.286 -1.222 0.236) 1.790 6.703 ( 0.571 3.699 -0.130) 3.745 6.776 ( -0.543 -3.690 0.185) 3.734 6.983 ( 1.325 5.711 0.076) 5.863 7.085 ( 2.384 -4.140 -0.413) 4.796 7.292 ( -0.496 5.738 0.496) 5.781 7.397 ( -0.659 -3.456 -0.718) 3.591 7.444 ( -0.809 1.851 -0.162) 2.026 7.475 ( -1.086 -1.772 0.300) 2.100 7.588 ( -1.090 3.112 0.470) 3.330 7.655 ( -1.049 -3.205 -0.035) 3.373 7.801 ( -0.390 -0.220 0.088) 0.456 7.812 ( 0.112 -0.873 0.403) 0.968 7.876 ( -0.187 2.135 -0.637) 2.236 7.927 ( -0.949 -2.988 0.224) 3.144 8.117 ( -0.712 1.720 -0.002) 1.861 8.129 ( 0.074 0.340 0.034) 0.349 8.345 ( 1.807 1.721 -0.015) 2.496 8.381 ( 0.876 -1.767 -0.168) 1.979 8.834 ( -2.311 1.921 -0.199) 3.012 8.849 ( -3.172 0.432 -1.641) 3.597 8.939 ( -2.639 1.709 1.355) 3.424 8.969 ( -2.594 -1.194 0.336) 2.875 9.249 ( 1.467 2.814 0.143) 3.176 9.303 ( 2.184 -2.670 0.003) 3.449 9.451 ( 0.464 2.741 -0.060) 2.780 9.474 ( 0.216 0.372 -0.021) 0.431 ======================= Grid point 129 (67/70) ======================= q-point: ( 0.33 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.419 1.057 0.207) 1.156 0.943 ( 0.811 -0.343 0.033) 0.881 1.215 ( 0.323 1.425 0.064) 1.463 1.233 ( 0.568 -0.324 -0.106) 0.662 1.352 ( -0.296 4.270 -0.043) 4.280 1.380 ( 0.077 2.350 0.283) 2.368 1.443 ( -0.646 -2.934 -0.617) 3.067 1.449 ( -0.300 -3.490 0.167) 3.507 1.547 ( -0.410 1.938 -0.947) 2.195 1.590 ( -0.423 -2.963 0.111) 2.995 1.810 ( -0.481 3.894 0.810) 4.006 1.842 ( -0.780 3.247 -0.201) 3.345 1.864 ( -0.549 -1.395 0.807) 1.702 1.911 ( -0.483 3.771 -0.208) 3.807 1.917 ( -1.834 -3.378 -0.677) 3.903 1.982 ( 0.204 -2.106 0.042) 2.116 2.015 ( -1.913 0.715 0.189) 2.051 2.043 ( -1.876 -1.152 1.821) 2.858 2.148 ( 0.063 5.300 -0.806) 5.362 2.234 ( 0.415 1.660 -0.808) 1.892 2.358 ( 0.881 0.214 -0.084) 0.910 2.494 ( 0.698 -8.727 -0.202) 8.757 2.604 ( 2.708 0.763 -0.060) 2.814 2.622 ( 2.409 -0.959 -0.155) 2.597 2.902 ( -2.039 2.515 0.199) 3.244 2.932 ( -1.828 -0.269 0.382) 1.887 3.240 ( -2.831 5.426 0.489) 6.139 3.318 ( -2.619 -2.441 0.429) 3.606 3.440 ( 0.451 2.991 -0.453) 3.058 3.457 ( -0.488 1.234 -0.383) 1.381 4.016 ( -1.448 5.106 -0.718) 5.356 4.093 ( 0.615 -2.725 0.025) 2.794 4.387 ( 3.960 4.486 0.184) 5.987 4.429 ( 2.297 0.262 0.160) 2.318 4.739 ( -3.848 4.459 -0.037) 5.890 4.787 ( -2.319 0.034 -0.056) 2.320 4.991 ( -1.305 3.352 -0.025) 3.597 5.021 ( -1.711 1.871 0.014) 2.535 5.072 ( 0.632 6.216 0.296) 6.255 5.230 ( 2.604 -8.520 0.070) 8.910 5.417 ( -1.697 4.392 -0.036) 4.709 5.510 ( -2.031 -4.880 0.001) 5.285 6.152 ( 2.070 8.920 -0.117) 9.158 6.296 ( 0.969 -5.781 -0.128) 5.863 6.520 ( 1.119 2.116 0.229) 2.405 6.566 ( 2.526 -2.172 -0.010) 3.332 6.717 ( 0.796 2.650 -0.102) 2.769 6.770 ( -0.022 -2.671 0.123) 2.674 7.031 ( 3.459 5.560 0.144) 6.550 7.133 ( 1.628 -4.386 -0.180) 4.682 7.283 ( 0.021 5.206 0.000) 5.206 7.375 ( -0.996 -2.991 -0.748) 3.240 7.435 ( -0.094 1.556 0.555) 1.655 7.460 ( -0.443 -0.804 0.288) 0.962 7.567 ( -0.969 1.787 0.122) 2.036 7.617 ( -2.804 -3.287 -0.078) 4.321 7.795 ( -0.219 0.974 0.144) 1.009 7.813 ( 0.030 -0.645 0.279) 0.703 7.871 ( -0.158 1.028 -0.500) 1.154 7.902 ( -1.472 -2.037 -0.138) 2.517 8.101 ( -0.725 2.715 0.216) 2.818 8.131 ( 0.022 -0.301 0.140) 0.332 8.381 ( 1.653 1.025 0.032) 1.945 8.400 ( 0.986 -0.734 -0.412) 1.297 8.777 ( -2.665 1.457 -0.312) 3.054 8.795 ( -2.004 -0.403 -0.792) 2.192 8.896 ( -1.769 1.826 0.718) 2.642 8.929 ( -1.629 -1.267 0.399) 2.101 9.269 ( 0.522 3.356 0.154) 3.400 9.332 ( 0.820 -2.991 0.050) 3.102 9.460 ( 0.362 2.662 -0.136) 2.690 9.478 ( 0.184 0.807 -0.033) 0.829 ======================= Grid point 130 (68/70) ======================= q-point: (-0.50 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.011 1.386 0.205) 1.401 0.951 ( 0.031 -0.399 -0.020) 0.401 1.220 ( -0.007 1.626 0.061) 1.627 1.240 ( 0.043 -0.265 -0.146) 0.306 1.350 ( 0.215 4.364 -0.252) 4.376 1.377 ( -0.290 2.208 0.649) 2.320 1.438 ( -0.408 -3.700 -0.206) 3.728 1.442 ( 0.240 -3.823 -0.117) 3.833 1.543 ( 0.047 1.985 -0.668) 2.095 1.586 ( 0.229 -2.966 -0.069) 2.976 1.808 ( 0.164 4.447 0.056) 4.451 1.833 ( -0.143 2.143 0.103) 2.151 1.856 ( -0.438 -0.590 0.843) 1.118 1.890 ( -0.584 -3.168 -0.373) 3.243 1.909 ( 0.015 3.794 -0.126) 3.796 1.981 ( -0.806 -3.157 0.386) 3.281 2.001 ( 0.561 2.307 1.035) 2.590 2.034 ( 1.156 -0.547 -0.041) 1.280 2.152 ( 0.193 3.797 -0.250) 3.810 2.236 ( -0.130 0.412 -0.798) 0.908 2.364 ( -0.069 0.825 -0.285) 0.875 2.494 ( 0.038 -7.861 0.005) 7.861 2.630 ( -0.153 0.788 -0.312) 0.862 2.645 ( -0.132 -0.804 -0.131) 0.825 2.885 ( 0.416 2.046 0.099) 2.091 2.912 ( -0.029 -0.380 0.952) 1.026 3.215 ( 0.063 5.587 0.253) 5.593 3.295 ( -0.006 -2.500 -0.054) 2.501 3.444 ( 0.015 2.273 -0.417) 2.311 3.449 ( -0.344 2.018 -0.184) 2.055 3.996 ( -0.131 6.505 -0.585) 6.532 4.101 ( 0.260 -4.169 0.165) 4.180 4.431 ( 0.074 3.037 0.143) 3.042 4.449 ( -0.005 1.046 -0.005) 1.046 4.697 ( -0.170 4.748 0.048) 4.751 4.762 ( -0.110 -1.261 0.025) 1.266 4.983 ( 0.144 2.744 -0.117) 2.750 5.005 ( 0.287 1.129 -0.151) 1.175 5.081 ( -0.193 8.875 0.383) 8.885 5.255 ( -0.044 -8.595 0.109) 8.596 5.397 ( -0.028 4.355 0.026) 4.355 5.487 ( 0.002 -4.720 0.018) 4.720 6.166 ( 0.010 8.392 -0.146) 8.393 6.301 ( -0.088 -5.398 -0.154) 5.401 6.535 ( 0.098 2.812 0.261) 2.826 6.594 ( -0.048 -2.542 -0.074) 2.544 6.726 ( 0.034 2.272 -0.107) 2.274 6.772 ( -0.049 -2.152 0.165) 2.159 7.090 ( 0.735 2.419 -0.240) 2.540 7.124 ( -0.753 0.758 0.464) 1.165 7.291 ( -0.342 2.760 -0.120) 2.784 7.369 ( 0.366 -2.541 -0.676) 2.654 7.443 ( 0.705 0.672 0.584) 1.136 7.456 ( 0.033 -0.043 -0.407) 0.411 7.562 ( -1.808 -0.543 0.309) 1.913 7.568 ( 1.072 -1.110 0.341) 1.580 7.794 ( 0.073 1.512 -0.023) 1.514 7.815 ( 0.073 -0.607 0.113) 0.622 7.873 ( 0.429 -0.297 -0.148) 0.542 7.878 ( -0.673 -0.855 -0.340) 1.140 8.095 ( 0.071 3.030 0.250) 3.041 8.131 ( 0.025 -0.580 0.184) 0.609 8.399 ( 0.078 0.741 0.068) 0.748 8.409 ( 0.022 -0.297 -0.605) 0.675 8.750 ( -0.118 1.513 -0.204) 1.531 8.774 ( 0.050 -1.097 -0.439) 1.183 8.880 ( -0.008 1.901 0.399) 1.942 8.913 ( 0.024 -1.247 0.381) 1.304 9.273 ( 0.021 3.498 0.112) 3.500 9.339 ( 0.023 -3.150 0.078) 3.151 9.463 ( -0.042 2.706 -0.128) 2.710 9.480 ( -0.006 0.967 -0.034) 0.968 ======================= Grid point 131 (69/70) ======================= q-point: (-0.33 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.490 1.136 0.206) 1.254 0.944 ( -0.752 -0.371 -0.038) 0.839 1.215 ( -0.335 1.390 0.071) 1.432 1.234 ( -0.537 -0.334 -0.159) 0.652 1.357 ( 0.295 3.696 -0.427) 3.732 1.375 ( -0.100 2.796 0.718) 2.888 1.433 ( 0.217 -3.645 0.036) 3.651 1.451 ( 0.477 -2.905 -0.055) 2.944 1.545 ( 0.304 2.454 -0.678) 2.564 1.600 ( 0.958 -3.576 -0.576) 3.747 1.820 ( 1.148 4.422 -0.052) 4.569 1.832 ( -0.049 2.024 0.569) 2.103 1.852 ( -0.195 -0.080 1.875) 1.887 1.897 ( 1.190 -2.552 0.101) 2.817 1.914 ( 0.963 2.623 -0.244) 2.805 1.975 ( 0.419 -2.780 0.376) 2.837 2.031 ( 2.099 2.827 -0.012) 3.521 2.070 ( 2.243 0.299 -0.469) 2.311 2.150 ( -0.122 2.578 -0.796) 2.700 2.227 ( -0.416 -0.189 -0.584) 0.741 2.354 ( -1.245 1.773 0.208) 2.177 2.491 ( -0.998 -7.872 -0.051) 7.936 2.605 ( -2.425 0.051 -0.125) 2.429 2.619 ( -2.028 -0.966 0.037) 2.246 2.911 ( 2.004 2.072 -0.519) 2.929 2.931 ( 1.495 0.242 0.567) 1.617 3.245 ( 3.050 5.361 0.215) 6.172 3.320 ( 2.793 -2.204 0.374) 3.578 3.437 ( -0.550 2.507 -0.366) 2.593 3.449 ( 0.338 1.333 0.214) 1.391 4.009 ( 1.213 5.804 -0.240) 5.935 4.101 ( -0.510 -3.495 -0.452) 3.560 4.391 ( -3.800 4.297 -0.112) 5.738 4.427 ( -2.343 0.818 0.273) 2.496 4.735 ( 3.816 4.396 0.196) 5.824 4.785 ( 2.350 -0.166 0.090) 2.357 4.994 ( 1.413 3.432 -0.255) 3.720 5.030 ( 2.074 1.801 -0.699) 2.835 5.066 ( -1.048 6.331 0.838) 6.471 5.228 ( -2.683 -8.669 0.142) 9.076 5.416 ( 1.645 4.480 0.028) 4.773 5.510 ( 2.053 -4.952 -0.014) 5.361 6.151 ( -2.109 8.925 -0.080) 9.172 6.293 ( -0.976 -5.581 0.042) 5.666 6.524 ( -1.011 1.824 -0.030) 2.085 6.564 ( -2.552 -1.931 0.084) 3.201 6.718 ( -0.738 2.608 -0.156) 2.715 6.770 ( -0.004 -2.469 0.173) 2.475 7.037 ( -3.519 4.949 -0.263) 6.078 7.128 ( -1.467 -3.976 0.151) 4.240 7.275 ( -0.131 5.622 0.459) 5.642 7.379 ( 0.748 -3.243 -0.858) 3.437 7.447 ( -0.042 1.438 -0.127) 1.445 7.469 ( 1.073 -1.349 -0.405) 1.770 7.556 ( 0.930 2.147 0.865) 2.494 7.609 ( 2.251 -2.979 0.393) 3.755 7.798 ( 0.363 0.974 -0.070) 1.042 7.816 ( 0.074 -0.513 0.133) 0.535 7.873 ( 0.423 0.430 -0.829) 1.025 7.894 ( 1.283 -1.654 0.621) 2.183 8.103 ( 0.650 2.597 0.089) 2.679 8.132 ( -0.056 -0.292 0.081) 0.308 8.382 ( -1.704 1.071 -0.010) 2.013 8.401 ( -0.754 -0.854 -0.489) 1.239 8.771 ( 2.386 1.759 -0.010) 2.965 8.795 ( 2.155 -0.550 -0.713) 2.336 8.898 ( 1.840 1.784 0.559) 2.623 8.931 ( 1.658 -1.277 0.247) 2.108 9.271 ( -0.494 3.302 0.083) 3.340 9.333 ( -0.870 -2.971 0.022) 3.096 9.458 ( -0.376 2.748 -0.037) 2.774 9.478 ( -0.191 0.736 -0.015) 0.760 ======================= Grid point 132 (70/70) ======================= q-point: (-0.17 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.645 0.473 0.146) 0.813 0.925 ( -1.052 -0.261 0.052) 1.085 1.212 ( -0.048 0.824 0.074) 0.829 1.223 ( -0.448 -0.284 -0.103) 0.541 1.357 ( -0.142 2.839 0.224) 2.851 1.373 ( -0.138 2.700 -0.014) 2.704 1.440 ( 0.190 -2.424 0.467) 2.476 1.459 ( 0.367 -2.116 -0.385) 2.182 1.555 ( 0.876 2.518 -0.556) 2.724 1.608 ( 0.064 -3.185 -1.345) 3.458 1.830 ( -0.254 3.275 1.908) 3.799 1.848 ( 1.034 2.711 1.042) 3.083 1.865 ( 1.478 1.454 1.000) 2.302 1.929 ( 2.036 -1.188 -0.429) 2.396 1.950 ( 2.319 0.259 -0.512) 2.389 1.997 ( 1.439 -2.552 0.666) 3.004 2.069 ( 1.761 2.674 -0.977) 3.348 2.110 ( 1.815 1.157 0.239) 2.166 2.147 ( -0.081 3.144 -1.330) 3.414 2.218 ( -0.635 2.627 -1.005) 2.883 2.319 ( -1.779 -1.548 0.628) 2.440 2.446 ( -3.250 -8.912 -0.058) 9.486 2.551 ( -2.472 0.789 0.166) 2.601 2.574 ( -2.682 -2.054 0.046) 3.379 2.944 ( 1.156 2.184 -0.015) 2.471 2.958 ( 1.070 0.836 -0.041) 1.358 3.322 ( 4.343 5.603 -0.028) 7.089 3.397 ( 3.648 -0.643 1.573) 4.025 3.435 ( 1.274 1.479 -1.466) 2.442 3.461 ( 0.830 0.117 0.474) 0.963 4.022 ( -0.115 4.007 0.023) 4.009 4.073 ( -2.105 -1.208 -0.662) 2.516 4.311 ( -3.609 5.787 -0.265) 6.825 4.372 ( -2.960 -0.171 0.380) 2.989 4.827 ( 5.094 4.208 0.133) 6.609 4.842 ( 3.443 3.110 0.008) 4.639 5.011 ( -2.923 6.414 -0.077) 7.049 5.044 ( 3.268 4.441 -0.036) 5.514 5.102 ( 3.016 -1.205 0.113) 3.249 5.164 ( -3.606 -9.296 0.124) 9.972 5.446 ( 1.328 4.555 0.003) 4.745 5.552 ( 2.030 -5.948 -0.031) 6.285 6.074 ( -5.273 10.889 0.059) 12.099 6.253 ( -3.068 -7.303 0.084) 7.922 6.508 ( -0.571 0.693 -0.175) 0.915 6.526 ( -0.880 -1.212 0.061) 1.499 6.704 ( -0.564 3.685 -0.192) 3.732 6.776 ( 0.536 -3.578 0.201) 3.624 6.987 ( -1.494 5.303 -0.167) 5.512 7.082 ( -2.207 -3.888 -0.232) 4.477 7.288 ( 0.684 5.743 0.749) 5.832 7.390 ( 0.555 -2.878 -0.302) 2.947 7.453 ( 0.613 1.651 -0.568) 1.850 7.487 ( 0.811 -2.582 -0.690) 2.793 7.582 ( 1.308 3.143 0.946) 3.534 7.643 ( 1.139 -2.624 0.721) 2.950 7.803 ( 0.137 0.220 -0.156) 0.303 7.817 ( -0.105 -0.737 0.234) 0.780 7.881 ( 0.415 1.006 -1.239) 1.649 7.920 ( 1.108 -2.614 0.907) 2.980 8.116 ( 0.596 1.713 0.028) 1.814 8.129 ( -0.101 0.276 0.014) 0.294 8.345 ( -1.791 1.792 -0.050) 2.534 8.383 ( -0.893 -1.884 -0.288) 2.104 8.829 ( 2.841 2.042 0.022) 3.499 8.844 ( 2.914 0.617 -1.070) 3.165 8.949 ( 2.959 1.067 0.620) 3.206 8.969 ( 2.098 -0.733 0.301) 2.243 9.250 ( -1.495 2.638 0.042) 3.032 9.301 ( -2.273 -2.514 0.078) 3.391 9.450 ( -0.400 2.772 0.009) 2.801 9.473 ( -0.204 0.305 -0.001) 0.367 =================== 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 3/16848 10.0 20.064 33.451 15.143 0.000 -0.002 0.000 3/16848 20.0 4.995 11.323 3.634 0.000 -0.047 0.000 3/16848 30.0 2.721 7.220 1.979 0.000 -0.017 0.000 3/16848 40.0 1.892 5.441 1.364 0.000 -0.006 0.000 3/16848 50.0 1.462 4.381 1.040 0.000 -0.002 0.000 3/16848 60.0 1.197 3.662 0.840 0.000 -0.000 0.000 3/16848 70.0 1.016 3.144 0.704 0.000 0.000 0.000 3/16848 80.0 0.884 2.754 0.607 0.000 -0.000 0.000 3/16848 90.0 0.784 2.450 0.534 0.000 -0.000 0.000 3/16848 100.0 0.705 2.208 0.477 0.000 -0.001 0.000 3/16848 110.0 0.640 2.010 0.431 0.000 -0.001 0.000 3/16848 120.0 0.587 1.845 0.393 0.000 -0.001 0.000 3/16848 130.0 0.542 1.705 0.362 0.000 -0.001 0.000 3/16848 140.0 0.504 1.586 0.335 0.000 -0.002 0.000 3/16848 150.0 0.471 1.482 0.313 0.000 -0.002 0.000 3/16848 160.0 0.442 1.391 0.293 0.000 -0.002 0.000 3/16848 170.0 0.416 1.311 0.275 0.000 -0.002 0.000 3/16848 180.0 0.393 1.239 0.260 0.000 -0.002 0.000 3/16848 190.0 0.373 1.175 0.246 0.000 -0.002 0.000 3/16848 200.0 0.354 1.117 0.234 0.000 -0.002 0.000 3/16848 210.0 0.338 1.065 0.222 0.000 -0.002 0.000 3/16848 220.0 0.323 1.018 0.212 0.000 -0.002 0.000 3/16848 230.0 0.309 0.974 0.203 0.000 -0.002 0.000 3/16848 240.0 0.296 0.934 0.195 0.000 -0.002 0.000 3/16848 250.0 0.284 0.897 0.187 0.000 -0.002 0.000 3/16848 260.0 0.274 0.863 0.180 0.000 -0.002 0.000 3/16848 270.0 0.264 0.832 0.173 0.000 -0.001 0.000 3/16848 280.0 0.254 0.803 0.167 0.000 -0.001 0.000 3/16848 290.0 0.246 0.775 0.161 0.000 -0.001 0.000 3/16848 300.0 0.237 0.750 0.156 0.000 -0.001 0.000 3/16848 310.0 0.230 0.726 0.151 0.000 -0.001 0.000 3/16848 320.0 0.223 0.703 0.146 0.000 -0.001 0.000 3/16848 330.0 0.216 0.682 0.141 0.000 -0.001 0.000 3/16848 340.0 0.210 0.662 0.137 0.000 -0.001 0.000 3/16848 350.0 0.204 0.644 0.133 0.000 -0.001 0.000 3/16848 360.0 0.198 0.626 0.130 0.000 -0.001 0.000 3/16848 370.0 0.193 0.609 0.126 0.000 -0.001 0.000 3/16848 380.0 0.188 0.593 0.123 0.000 -0.001 0.000 3/16848 390.0 0.183 0.578 0.120 0.000 -0.001 0.000 3/16848 400.0 0.179 0.564 0.117 0.000 -0.001 0.000 3/16848 410.0 0.174 0.550 0.114 0.000 -0.001 0.000 3/16848 420.0 0.170 0.537 0.111 0.000 -0.001 0.000 3/16848 430.0 0.166 0.525 0.109 0.000 -0.001 0.000 3/16848 440.0 0.162 0.513 0.106 0.000 -0.001 0.000 3/16848 450.0 0.159 0.502 0.104 0.000 -0.001 0.000 3/16848 460.0 0.155 0.491 0.102 0.000 -0.001 0.000 3/16848 470.0 0.152 0.481 0.099 0.000 -0.001 0.000 3/16848 480.0 0.149 0.471 0.097 0.000 -0.001 0.000 3/16848 490.0 0.146 0.461 0.095 0.000 -0.001 0.000 3/16848 500.0 0.143 0.452 0.093 0.000 -0.001 0.000 3/16848 510.0 0.140 0.443 0.092 0.000 -0.001 0.000 3/16848 520.0 0.138 0.435 0.090 0.000 -0.001 0.000 3/16848 530.0 0.135 0.426 0.088 0.000 -0.001 0.000 3/16848 540.0 0.132 0.419 0.086 0.000 -0.001 0.000 3/16848 550.0 0.130 0.411 0.085 0.000 -0.001 0.000 3/16848 560.0 0.128 0.404 0.083 0.000 -0.001 0.000 3/16848 570.0 0.126 0.397 0.082 0.000 -0.001 0.000 3/16848 580.0 0.123 0.390 0.081 0.000 -0.001 0.000 3/16848 590.0 0.121 0.383 0.079 0.000 -0.001 0.000 3/16848 600.0 0.119 0.377 0.078 0.000 -0.001 0.000 3/16848 610.0 0.117 0.371 0.077 0.000 -0.001 0.000 3/16848 620.0 0.115 0.365 0.075 0.000 -0.001 0.000 3/16848 630.0 0.114 0.359 0.074 0.000 -0.001 0.000 3/16848 640.0 0.112 0.354 0.073 0.000 -0.001 0.000 3/16848 650.0 0.110 0.348 0.072 0.000 -0.001 0.000 3/16848 660.0 0.108 0.343 0.071 0.000 -0.001 0.000 3/16848 670.0 0.107 0.338 0.070 0.000 -0.001 0.000 3/16848 680.0 0.105 0.333 0.069 0.000 -0.001 0.000 3/16848 690.0 0.104 0.328 0.068 0.000 -0.001 0.000 3/16848 700.0 0.102 0.323 0.067 0.000 -0.001 0.000 3/16848 710.0 0.101 0.319 0.066 0.000 -0.001 0.000 3/16848 720.0 0.099 0.314 0.065 0.000 -0.001 0.000 3/16848 730.0 0.098 0.310 0.064 0.000 -0.001 0.000 3/16848 740.0 0.097 0.306 0.063 0.000 -0.001 0.000 3/16848 750.0 0.095 0.302 0.062 0.000 -0.001 0.000 3/16848 760.0 0.094 0.298 0.061 0.000 -0.001 0.000 3/16848 770.0 0.093 0.294 0.061 0.000 -0.001 0.000 3/16848 780.0 0.092 0.290 0.060 0.000 -0.001 0.000 3/16848 790.0 0.091 0.287 0.059 0.000 -0.001 0.000 3/16848 800.0 0.090 0.283 0.058 0.000 -0.001 0.000 3/16848 810.0 0.088 0.280 0.058 0.000 -0.001 0.000 3/16848 820.0 0.087 0.276 0.057 0.000 -0.001 0.000 3/16848 830.0 0.086 0.273 0.056 0.000 -0.001 0.000 3/16848 840.0 0.085 0.270 0.056 0.000 -0.001 0.000 3/16848 850.0 0.084 0.266 0.055 0.000 -0.001 0.000 3/16848 860.0 0.083 0.263 0.054 0.000 -0.001 0.000 3/16848 870.0 0.082 0.260 0.054 0.000 -0.001 0.000 3/16848 880.0 0.081 0.257 0.053 0.000 -0.001 0.000 3/16848 890.0 0.081 0.255 0.053 0.000 -0.001 0.000 3/16848 900.0 0.080 0.252 0.052 0.000 -0.001 0.000 3/16848 910.0 0.079 0.249 0.051 0.000 -0.001 0.000 3/16848 920.0 0.078 0.246 0.051 0.000 -0.001 0.000 3/16848 930.0 0.077 0.244 0.050 0.000 -0.001 0.000 3/16848 940.0 0.076 0.241 0.050 0.000 -0.001 0.000 3/16848 950.0 0.075 0.238 0.049 0.000 -0.001 0.000 3/16848 960.0 0.075 0.236 0.049 0.000 -0.001 0.000 3/16848 970.0 0.074 0.234 0.048 0.000 -0.001 0.000 3/16848 980.0 0.073 0.231 0.048 0.000 -0.001 0.000 3/16848 990.0 0.072 0.229 0.047 0.000 -0.001 0.000 3/16848 1000.0 0.072 0.227 0.047 0.000 -0.000 0.000 3/16848 Thermal conductivity related properties were written into "kappa-m6133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:53:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|