----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:36:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.689092285000000 -2.687019200000000 0.000000000000000 b 4.689092285000000 2.687019200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.659611979999999 Atomic positions (fractional): *1 Li 0.51666264115427 0.83068544219953 0.99589260117799 6.941 2 Li 0.48333735884573 0.16931455780048 0.49589260117799 6.941 3 Li 0.83068544219953 0.51666264115427 0.49589260117799 6.941 4 Li 0.16931455780048 0.48333735884573 0.99589260117799 6.941 *5 O 0.11731557559126 0.88268442440874 0.14124188910170 15.999 *6 O 0.16466306471460 0.54350985351641 0.58188198060267 15.999 7 O 0.45649014648359 0.83533693528540 0.58188198060267 15.999 8 O 0.88268442440874 0.11731557559126 0.64124188910170 15.999 9 O 0.54350985351641 0.16466306471460 0.08188198060267 15.999 10 O 0.83533693528540 0.45649014648359 0.08188198060267 15.999 *11 Si 0.17250147628902 0.82749852371098 0.49840892733697 28.085 12 Si 0.82749852371098 0.17250147628902 0.99840892733697 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.378184570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.374038400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.659611979999999 Atomic positions (fractional): *1 Li 0.17367404167690 0.65701140052263 0.99589260117799 6.941 > 1 2 Li 0.32632595832310 0.84298859947737 0.49589260117799 6.941 > 2 3 Li 0.17367404167690 0.34298859947737 0.49589260117799 6.941 > 3 4 Li 0.32632595832310 0.15701140052263 0.99589260117799 6.941 > 4 5 Li 0.67367404167690 0.15701140052263 0.99589260117799 6.941 > 1 6 Li 0.82632595832310 0.34298859947737 0.49589260117799 6.941 > 2 7 Li 0.67367404167690 0.84298859947737 0.49589260117799 6.941 > 3 8 Li 0.82632595832310 0.65701140052263 0.99589260117799 6.941 > 4 *9 O 0.00000000000000 0.88268442440874 0.14124188910170 15.999 > 5 *10 O 0.35408645911551 0.18942339440091 0.58188198060267 15.999 > 6 11 O 0.14591354088449 0.68942339440091 0.58188198060267 15.999 > 7 12 O 0.00000000000000 0.11731557559126 0.64124188910170 15.999 > 8 13 O 0.35408645911551 0.81057660559909 0.08188198060267 15.999 > 9 14 O 0.14591354088449 0.31057660559909 0.08188198060267 15.999 > 10 15 O 0.50000000000000 0.38268442440874 0.14124188910170 15.999 > 5 16 O 0.85408645911551 0.68942339440091 0.58188198060267 15.999 > 6 17 O 0.64591354088449 0.18942339440091 0.58188198060267 15.999 > 7 18 O 0.50000000000000 0.61731557559126 0.64124188910170 15.999 > 8 19 O 0.85408645911551 0.31057660559909 0.08188198060267 15.999 > 9 20 O 0.64591354088449 0.81057660559909 0.08188198060267 15.999 > 10 *21 Si 0.00000000000000 0.82749852371098 0.49840892733698 28.085 > 11 22 Si 0.00000000000000 0.17250147628902 0.99840892733697 28.085 > 12 23 Si 0.50000000000000 0.32749852371098 0.49840892733698 28.085 > 11 24 Si 0.50000000000000 0.67250147628902 0.99840892733697 28.085 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.378184570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.748076800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.978835939999998 Atomic positions (fractional): *1 Li 0.17367404167690 0.32850570026131 0.33196420039266 6.941 > 1 2 Li 0.17367404167690 0.82850570026131 0.33196420039266 6.941 > 1 3 Li 0.17367404167690 0.32850570026131 0.66529753372600 6.941 > 1 4 Li 0.17367404167690 0.82850570026131 0.66529753372600 6.941 > 1 5 Li 0.17367404167690 0.32850570026131 0.99863086705933 6.941 > 1 6 Li 0.17367404167690 0.82850570026131 0.99863086705933 6.941 > 1 7 Li 0.32632595832310 0.42149429973869 0.16529753372600 6.941 > 2 8 Li 0.32632595832310 0.92149429973869 0.16529753372600 6.941 > 2 9 Li 0.32632595832310 0.42149429973869 0.49863086705933 6.941 > 2 10 Li 0.32632595832310 0.92149429973869 0.49863086705933 6.941 > 2 11 Li 0.32632595832310 0.42149429973869 0.83196420039266 6.941 > 2 12 Li 0.32632595832310 0.92149429973869 0.83196420039266 6.941 > 2 13 Li 0.17367404167690 0.17149429973869 0.16529753372600 6.941 > 3 14 Li 0.17367404167690 0.67149429973869 0.16529753372600 6.941 > 3 15 Li 0.17367404167690 0.17149429973869 0.49863086705933 6.941 > 3 16 Li 0.17367404167690 0.67149429973869 0.49863086705933 6.941 > 3 17 Li 0.17367404167690 0.17149429973869 0.83196420039266 6.941 > 3 18 Li 0.17367404167690 0.67149429973869 0.83196420039266 6.941 > 3 19 Li 0.32632595832310 0.07850570026131 0.33196420039266 6.941 > 4 20 Li 0.32632595832310 0.57850570026131 0.33196420039266 6.941 > 4 21 Li 0.32632595832310 0.07850570026131 0.66529753372600 6.941 > 4 22 Li 0.32632595832310 0.57850570026131 0.66529753372600 6.941 > 4 23 Li 0.32632595832310 0.07850570026131 0.99863086705933 6.941 > 4 24 Li 0.32632595832310 0.57850570026131 0.99863086705933 6.941 > 4 25 Li 0.67367404167690 0.07850570026131 0.33196420039266 6.941 > 1 26 Li 0.67367404167690 0.57850570026131 0.33196420039266 6.941 > 1 27 Li 0.67367404167690 0.07850570026131 0.66529753372600 6.941 > 1 28 Li 0.67367404167690 0.57850570026131 0.66529753372600 6.941 > 1 29 Li 0.67367404167690 0.07850570026131 0.99863086705933 6.941 > 1 30 Li 0.67367404167690 0.57850570026131 0.99863086705933 6.941 > 1 31 Li 0.82632595832310 0.17149429973869 0.16529753372600 6.941 > 2 32 Li 0.82632595832310 0.67149429973869 0.16529753372600 6.941 > 2 33 Li 0.82632595832310 0.17149429973869 0.49863086705933 6.941 > 2 34 Li 0.82632595832310 0.67149429973869 0.49863086705933 6.941 > 2 35 Li 0.82632595832310 0.17149429973869 0.83196420039266 6.941 > 2 36 Li 0.82632595832310 0.67149429973869 0.83196420039266 6.941 > 2 37 Li 0.67367404167690 0.42149429973869 0.16529753372600 6.941 > 3 38 Li 0.67367404167690 0.92149429973869 0.16529753372600 6.941 > 3 39 Li 0.67367404167690 0.42149429973869 0.49863086705933 6.941 > 3 40 Li 0.67367404167690 0.92149429973869 0.49863086705933 6.941 > 3 41 Li 0.67367404167690 0.42149429973869 0.83196420039266 6.941 > 3 42 Li 0.67367404167690 0.92149429973869 0.83196420039266 6.941 > 3 43 Li 0.82632595832310 0.32850570026131 0.33196420039266 6.941 > 4 44 Li 0.82632595832310 0.82850570026131 0.33196420039266 6.941 > 4 45 Li 0.82632595832310 0.32850570026131 0.66529753372600 6.941 > 4 46 Li 0.82632595832310 0.82850570026131 0.66529753372600 6.941 > 4 47 Li 0.82632595832310 0.32850570026131 0.99863086705933 6.941 > 4 48 Li 0.82632595832310 0.82850570026131 0.99863086705933 6.941 > 4 *49 O 0.00000000000000 0.44134221220437 0.04708062970057 15.999 > 5 50 O 0.00000000000000 0.94134221220437 0.04708062970057 15.999 > 5 51 O 0.00000000000000 0.44134221220437 0.38041396303390 15.999 > 5 52 O 0.00000000000000 0.94134221220437 0.38041396303390 15.999 > 5 53 O 0.00000000000000 0.44134221220437 0.71374729636723 15.999 > 5 54 O 0.00000000000000 0.94134221220437 0.71374729636723 15.999 > 5 *55 O 0.35408645911551 0.09471169720045 0.19396066020089 15.999 > 6 56 O 0.35408645911551 0.59471169720045 0.19396066020089 15.999 > 6 57 O 0.35408645911551 0.09471169720045 0.52729399353422 15.999 > 6 58 O 0.35408645911551 0.59471169720045 0.52729399353422 15.999 > 6 59 O 0.35408645911551 0.09471169720045 0.86062732686756 15.999 > 6 60 O 0.35408645911551 0.59471169720045 0.86062732686756 15.999 > 6 61 O 0.14591354088449 0.34471169720045 0.19396066020089 15.999 > 7 62 O 0.14591354088449 0.84471169720045 0.19396066020089 15.999 > 7 63 O 0.14591354088449 0.34471169720045 0.52729399353422 15.999 > 7 64 O 0.14591354088449 0.84471169720045 0.52729399353422 15.999 > 7 65 O 0.14591354088449 0.34471169720045 0.86062732686756 15.999 > 7 66 O 0.14591354088449 0.84471169720045 0.86062732686756 15.999 > 7 67 O 0.00000000000000 0.05865778779563 0.21374729636723 15.999 > 8 68 O 0.00000000000000 0.55865778779563 0.21374729636723 15.999 > 8 69 O 0.00000000000000 0.05865778779563 0.54708062970057 15.999 > 8 70 O 0.00000000000000 0.55865778779563 0.54708062970057 15.999 > 8 71 O 0.00000000000000 0.05865778779563 0.88041396303390 15.999 > 8 72 O 0.00000000000000 0.55865778779563 0.88041396303390 15.999 > 8 73 O 0.35408645911551 0.40528830279955 0.02729399353422 15.999 > 9 74 O 0.35408645911551 0.90528830279955 0.02729399353422 15.999 > 9 75 O 0.35408645911551 0.40528830279955 0.36062732686756 15.999 > 9 76 O 0.35408645911551 0.90528830279955 0.36062732686756 15.999 > 9 77 O 0.35408645911551 0.40528830279955 0.69396066020089 15.999 > 9 78 O 0.35408645911551 0.90528830279955 0.69396066020089 15.999 > 9 79 O 0.14591354088449 0.15528830279955 0.02729399353422 15.999 > 10 80 O 0.14591354088449 0.65528830279955 0.02729399353422 15.999 > 10 81 O 0.14591354088449 0.15528830279955 0.36062732686756 15.999 > 10 82 O 0.14591354088449 0.65528830279955 0.36062732686756 15.999 > 10 83 O 0.14591354088449 0.15528830279955 0.69396066020089 15.999 > 10 84 O 0.14591354088449 0.65528830279955 0.69396066020089 15.999 > 10 85 O 0.50000000000000 0.19134221220437 0.04708062970057 15.999 > 5 86 O 0.50000000000000 0.69134221220437 0.04708062970057 15.999 > 5 87 O 0.50000000000000 0.19134221220437 0.38041396303390 15.999 > 5 88 O 0.50000000000000 0.69134221220437 0.38041396303390 15.999 > 5 89 O 0.50000000000000 0.19134221220437 0.71374729636723 15.999 > 5 90 O 0.50000000000000 0.69134221220437 0.71374729636723 15.999 > 5 91 O 0.85408645911551 0.34471169720045 0.19396066020089 15.999 > 6 92 O 0.85408645911551 0.84471169720045 0.19396066020089 15.999 > 6 93 O 0.85408645911551 0.34471169720045 0.52729399353422 15.999 > 6 94 O 0.85408645911551 0.84471169720045 0.52729399353422 15.999 > 6 95 O 0.85408645911551 0.34471169720045 0.86062732686756 15.999 > 6 96 O 0.85408645911551 0.84471169720045 0.86062732686756 15.999 > 6 97 O 0.64591354088449 0.09471169720045 0.19396066020089 15.999 > 7 98 O 0.64591354088449 0.59471169720045 0.19396066020089 15.999 > 7 99 O 0.64591354088449 0.09471169720045 0.52729399353422 15.999 > 7 100 O 0.64591354088449 0.59471169720045 0.52729399353422 15.999 > 7 101 O 0.64591354088449 0.09471169720045 0.86062732686756 15.999 > 7 102 O 0.64591354088449 0.59471169720045 0.86062732686756 15.999 > 7 103 O 0.50000000000000 0.30865778779563 0.21374729636723 15.999 > 8 104 O 0.50000000000000 0.80865778779563 0.21374729636723 15.999 > 8 105 O 0.50000000000000 0.30865778779563 0.54708062970057 15.999 > 8 106 O 0.50000000000000 0.80865778779563 0.54708062970057 15.999 > 8 107 O 0.50000000000000 0.30865778779563 0.88041396303390 15.999 > 8 108 O 0.50000000000000 0.80865778779563 0.88041396303390 15.999 > 8 109 O 0.85408645911551 0.15528830279955 0.02729399353422 15.999 > 9 110 O 0.85408645911551 0.65528830279955 0.02729399353422 15.999 > 9 111 O 0.85408645911551 0.15528830279955 0.36062732686756 15.999 > 9 112 O 0.85408645911551 0.65528830279955 0.36062732686756 15.999 > 9 113 O 0.85408645911551 0.15528830279955 0.69396066020089 15.999 > 9 114 O 0.85408645911551 0.65528830279955 0.69396066020089 15.999 > 9 115 O 0.64591354088449 0.40528830279955 0.02729399353422 15.999 > 10 116 O 0.64591354088449 0.90528830279955 0.02729399353422 15.999 > 10 117 O 0.64591354088449 0.40528830279955 0.36062732686756 15.999 > 10 118 O 0.64591354088449 0.90528830279955 0.36062732686756 15.999 > 10 119 O 0.64591354088449 0.40528830279955 0.69396066020089 15.999 > 10 120 O 0.64591354088449 0.90528830279955 0.69396066020089 15.999 > 10 *121 Si 0.00000000000000 0.41374926185549 0.16613630911232 28.085 > 11 122 Si 0.00000000000000 0.91374926185549 0.16613630911232 28.085 > 11 123 Si 0.00000000000000 0.41374926185549 0.49946964244566 28.085 > 11 124 Si 0.00000000000000 0.91374926185549 0.49946964244566 28.085 > 11 125 Si 0.00000000000000 0.41374926185549 0.83280297577899 28.085 > 11 126 Si 0.00000000000000 0.91374926185549 0.83280297577899 28.085 > 11 127 Si 0.00000000000000 0.08625073814451 0.33280297577899 28.085 > 12 128 Si 0.00000000000000 0.58625073814451 0.33280297577899 28.085 > 12 129 Si 0.00000000000000 0.08625073814451 0.66613630911232 28.085 > 12 130 Si 0.00000000000000 0.58625073814451 0.66613630911232 28.085 > 12 131 Si 0.00000000000000 0.08625073814451 0.99946964244566 28.085 > 12 132 Si 0.00000000000000 0.58625073814451 0.99946964244566 28.085 > 12 133 Si 0.50000000000000 0.16374926185549 0.16613630911232 28.085 > 11 134 Si 0.50000000000000 0.66374926185549 0.16613630911232 28.085 > 11 135 Si 0.50000000000000 0.16374926185549 0.49946964244566 28.085 > 11 136 Si 0.50000000000000 0.66374926185549 0.49946964244566 28.085 > 11 137 Si 0.50000000000000 0.16374926185549 0.83280297577899 28.085 > 11 138 Si 0.50000000000000 0.66374926185549 0.83280297577899 28.085 > 11 139 Si 0.50000000000000 0.33625073814451 0.33280297577899 28.085 > 12 140 Si 0.50000000000000 0.83625073814451 0.33280297577899 28.085 > 12 141 Si 0.50000000000000 0.33625073814451 0.66613630911232 28.085 > 12 142 Si 0.50000000000000 0.83625073814451 0.66613630911232 28.085 > 12 143 Si 0.50000000000000 0.33625073814451 0.99946964244566 28.085 > 12 144 Si 0.50000000000000 0.83625073814451 0.99946964244566 28.085 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6880009 0.0000000 0.0000000 0.0000000 2.6978983 0.0000000 0.0000000 0.0000000 2.7787141 -------------------------- Born effective charges -------------------------- 1 Li 1.0515742 0.0677350 0.0267411 -0.0479781 1.0182542 -0.0141923 -0.0153189 0.0188573 1.0407141 2 Li 1.0515742 0.0677350 -0.0267411 -0.0479781 1.0182542 0.0141923 0.0153189 -0.0188573 1.0407141 3 Li 1.0515742 -0.0677350 0.0267411 0.0479781 1.0182542 0.0141923 -0.0153189 -0.0188573 1.0407141 4 Li 1.0515742 -0.0677350 -0.0267411 0.0479781 1.0182542 -0.0141923 0.0153189 0.0188573 1.0407141 5 O -1.1365250 0.0000000 0.0000000 0.0000000 -1.8462302 0.4855892 0.0000000 0.5574118 -2.2846502 6 O -1.8428985 -0.1957528 0.1035502 -0.3057733 -1.5495528 0.0968166 0.0956097 0.0288022 -1.4708555 7 O -1.8428985 0.1957528 -0.1035502 0.3057733 -1.5495528 0.0968166 -0.0956097 0.0288022 -1.4708555 8 O -1.1365250 0.0000000 0.0000000 0.0000000 -1.8462302 -0.4855892 0.0000000 -0.5574118 -2.2846502 9 O -1.8428985 0.1957528 0.1035502 0.3057733 -1.5495528 -0.0968166 0.0956097 -0.0288022 -1.4708555 10 O -1.8428985 -0.1957528 -0.1035502 -0.3057733 -1.5495528 -0.0968166 -0.0956097 -0.0288022 -1.4708555 11 Si 2.7191737 0.0000000 0.0000000 0.0000000 2.9088274 -0.2043593 0.0000000 0.1819833 3.1449329 12 Si 2.7191737 0.0000000 0.0000000 0.0000000 2.9088274 0.2043593 0.0000000 -0.1819833 3.1449329 ---------------------------------------------------------------------------- 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: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2022 Number of blocks in projector: 2022 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: 480 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 258 Use standard eigh solver. Tree of FC basis block matrices: - (2022, 1994), data: False |-- (258, 254), data: True |-- (258, 254), data: True |-- (258, 254), data: True |-- (384, 380), data: True |-- (384, 380), data: True |-- (480, 472), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 4.632 Solver_block: 200 / 400 - Time: 4.536 Solver_block: 300 / 400 - Time: 4.864 Solver_block: 400 / 400 - Time: 4.604 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.752 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2022 Number of blocks in projector: 2022 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: 480 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 258 Use standard eigh solver. Tree of FC basis block matrices: - (2022, 1994), data: False |-- (258, 254), data: True |-- (258, 254), data: True |-- (258, 254), data: True |-- (384, 380), data: True |-- (384, 380), data: True |-- (480, 472), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:37:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:37:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.689092285000000 -2.687019200000000 0.000000000000000 b 4.689092285000000 2.687019200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.659611979999999 Atomic positions (fractional): 1 Li 0.51666264115427 0.83068544219953 0.99589260117799 6.941 2 Li 0.48333735884573 0.16931455780048 0.49589260117799 6.941 3 Li 0.83068544219953 0.51666264115427 0.49589260117799 6.941 4 Li 0.16931455780048 0.48333735884573 0.99589260117799 6.941 5 O 0.11731557559126 0.88268442440874 0.14124188910170 15.999 6 O 0.16466306471460 0.54350985351641 0.58188198060267 15.999 7 O 0.45649014648359 0.83533693528540 0.58188198060267 15.999 8 O 0.88268442440874 0.11731557559126 0.64124188910170 15.999 9 O 0.54350985351641 0.16466306471460 0.08188198060267 15.999 10 O 0.83533693528540 0.45649014648359 0.08188198060267 15.999 11 Si 0.17250147628902 0.82749852371098 0.49840892733697 28.085 12 Si 0.82749852371098 0.17250147628902 0.99840892733697 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.378184570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.748076800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.978835939999998 Atomic positions (fractional): 1 Li 0.17367404167690 0.32850570026131 0.33196420039266 6.941 > 1 2 Li 0.17367404167690 0.82850570026131 0.33196420039266 6.941 > 1 3 Li 0.17367404167690 0.32850570026131 0.66529753372600 6.941 > 1 4 Li 0.17367404167690 0.82850570026131 0.66529753372600 6.941 > 1 5 Li 0.17367404167690 0.32850570026131 0.99863086705933 6.941 > 1 6 Li 0.17367404167690 0.82850570026131 0.99863086705933 6.941 > 1 7 Li 0.32632595832310 0.42149429973869 0.16529753372600 6.941 > 7 8 Li 0.32632595832310 0.92149429973869 0.16529753372600 6.941 > 7 9 Li 0.32632595832310 0.42149429973869 0.49863086705933 6.941 > 7 10 Li 0.32632595832310 0.92149429973869 0.49863086705933 6.941 > 7 11 Li 0.32632595832310 0.42149429973869 0.83196420039266 6.941 > 7 12 Li 0.32632595832310 0.92149429973869 0.83196420039266 6.941 > 7 13 Li 0.17367404167690 0.17149429973869 0.16529753372600 6.941 > 13 14 Li 0.17367404167690 0.67149429973869 0.16529753372600 6.941 > 13 15 Li 0.17367404167690 0.17149429973869 0.49863086705933 6.941 > 13 16 Li 0.17367404167690 0.67149429973869 0.49863086705933 6.941 > 13 17 Li 0.17367404167690 0.17149429973869 0.83196420039266 6.941 > 13 18 Li 0.17367404167690 0.67149429973869 0.83196420039266 6.941 > 13 19 Li 0.32632595832310 0.07850570026131 0.33196420039266 6.941 > 19 20 Li 0.32632595832310 0.57850570026131 0.33196420039266 6.941 > 19 21 Li 0.32632595832310 0.07850570026131 0.66529753372600 6.941 > 19 22 Li 0.32632595832310 0.57850570026131 0.66529753372600 6.941 > 19 23 Li 0.32632595832310 0.07850570026131 0.99863086705933 6.941 > 19 24 Li 0.32632595832310 0.57850570026131 0.99863086705933 6.941 > 19 25 Li 0.67367404167690 0.07850570026131 0.33196420039266 6.941 > 1 26 Li 0.67367404167690 0.57850570026131 0.33196420039266 6.941 > 1 27 Li 0.67367404167690 0.07850570026131 0.66529753372600 6.941 > 1 28 Li 0.67367404167690 0.57850570026131 0.66529753372600 6.941 > 1 29 Li 0.67367404167690 0.07850570026131 0.99863086705933 6.941 > 1 30 Li 0.67367404167690 0.57850570026131 0.99863086705933 6.941 > 1 31 Li 0.82632595832310 0.17149429973869 0.16529753372600 6.941 > 7 32 Li 0.82632595832310 0.67149429973869 0.16529753372600 6.941 > 7 33 Li 0.82632595832310 0.17149429973869 0.49863086705933 6.941 > 7 34 Li 0.82632595832310 0.67149429973869 0.49863086705933 6.941 > 7 35 Li 0.82632595832310 0.17149429973869 0.83196420039266 6.941 > 7 36 Li 0.82632595832310 0.67149429973869 0.83196420039266 6.941 > 7 37 Li 0.67367404167690 0.42149429973869 0.16529753372600 6.941 > 13 38 Li 0.67367404167690 0.92149429973869 0.16529753372600 6.941 > 13 39 Li 0.67367404167690 0.42149429973869 0.49863086705933 6.941 > 13 40 Li 0.67367404167690 0.92149429973869 0.49863086705933 6.941 > 13 41 Li 0.67367404167690 0.42149429973869 0.83196420039266 6.941 > 13 42 Li 0.67367404167690 0.92149429973869 0.83196420039266 6.941 > 13 43 Li 0.82632595832310 0.32850570026131 0.33196420039266 6.941 > 19 44 Li 0.82632595832310 0.82850570026131 0.33196420039266 6.941 > 19 45 Li 0.82632595832310 0.32850570026131 0.66529753372600 6.941 > 19 46 Li 0.82632595832310 0.82850570026131 0.66529753372600 6.941 > 19 47 Li 0.82632595832310 0.32850570026131 0.99863086705933 6.941 > 19 48 Li 0.82632595832310 0.82850570026131 0.99863086705933 6.941 > 19 49 O 0.00000000000000 0.44134221220437 0.04708062970057 15.999 > 49 50 O 0.00000000000000 0.94134221220437 0.04708062970057 15.999 > 49 51 O 0.00000000000000 0.44134221220437 0.38041396303390 15.999 > 49 52 O 0.00000000000000 0.94134221220437 0.38041396303390 15.999 > 49 53 O 0.00000000000000 0.44134221220437 0.71374729636723 15.999 > 49 54 O 0.00000000000000 0.94134221220437 0.71374729636723 15.999 > 49 55 O 0.35408645911551 0.09471169720045 0.19396066020089 15.999 > 55 56 O 0.35408645911551 0.59471169720045 0.19396066020089 15.999 > 55 57 O 0.35408645911551 0.09471169720045 0.52729399353422 15.999 > 55 58 O 0.35408645911551 0.59471169720045 0.52729399353422 15.999 > 55 59 O 0.35408645911551 0.09471169720045 0.86062732686756 15.999 > 55 60 O 0.35408645911551 0.59471169720045 0.86062732686756 15.999 > 55 61 O 0.14591354088449 0.34471169720045 0.19396066020089 15.999 > 61 62 O 0.14591354088449 0.84471169720045 0.19396066020089 15.999 > 61 63 O 0.14591354088449 0.34471169720045 0.52729399353422 15.999 > 61 64 O 0.14591354088449 0.84471169720045 0.52729399353422 15.999 > 61 65 O 0.14591354088449 0.34471169720045 0.86062732686756 15.999 > 61 66 O 0.14591354088449 0.84471169720045 0.86062732686756 15.999 > 61 67 O 0.00000000000000 0.05865778779563 0.21374729636723 15.999 > 67 68 O 0.00000000000000 0.55865778779563 0.21374729636723 15.999 > 67 69 O 0.00000000000000 0.05865778779563 0.54708062970057 15.999 > 67 70 O 0.00000000000000 0.55865778779563 0.54708062970057 15.999 > 67 71 O 0.00000000000000 0.05865778779563 0.88041396303390 15.999 > 67 72 O 0.00000000000000 0.55865778779563 0.88041396303390 15.999 > 67 73 O 0.35408645911551 0.40528830279955 0.02729399353422 15.999 > 73 74 O 0.35408645911551 0.90528830279955 0.02729399353422 15.999 > 73 75 O 0.35408645911551 0.40528830279955 0.36062732686756 15.999 > 73 76 O 0.35408645911551 0.90528830279955 0.36062732686756 15.999 > 73 77 O 0.35408645911551 0.40528830279955 0.69396066020089 15.999 > 73 78 O 0.35408645911551 0.90528830279955 0.69396066020089 15.999 > 73 79 O 0.14591354088449 0.15528830279955 0.02729399353422 15.999 > 79 80 O 0.14591354088449 0.65528830279955 0.02729399353422 15.999 > 79 81 O 0.14591354088449 0.15528830279955 0.36062732686756 15.999 > 79 82 O 0.14591354088449 0.65528830279955 0.36062732686756 15.999 > 79 83 O 0.14591354088449 0.15528830279955 0.69396066020089 15.999 > 79 84 O 0.14591354088449 0.65528830279955 0.69396066020089 15.999 > 79 85 O 0.50000000000000 0.19134221220437 0.04708062970057 15.999 > 49 86 O 0.50000000000000 0.69134221220437 0.04708062970057 15.999 > 49 87 O 0.50000000000000 0.19134221220437 0.38041396303390 15.999 > 49 88 O 0.50000000000000 0.69134221220437 0.38041396303390 15.999 > 49 89 O 0.50000000000000 0.19134221220437 0.71374729636723 15.999 > 49 90 O 0.50000000000000 0.69134221220437 0.71374729636723 15.999 > 49 91 O 0.85408645911551 0.34471169720045 0.19396066020089 15.999 > 55 92 O 0.85408645911551 0.84471169720045 0.19396066020089 15.999 > 55 93 O 0.85408645911551 0.34471169720045 0.52729399353422 15.999 > 55 94 O 0.85408645911551 0.84471169720045 0.52729399353422 15.999 > 55 95 O 0.85408645911551 0.34471169720045 0.86062732686756 15.999 > 55 96 O 0.85408645911551 0.84471169720045 0.86062732686756 15.999 > 55 97 O 0.64591354088449 0.09471169720045 0.19396066020089 15.999 > 61 98 O 0.64591354088449 0.59471169720045 0.19396066020089 15.999 > 61 99 O 0.64591354088449 0.09471169720045 0.52729399353422 15.999 > 61 100 O 0.64591354088449 0.59471169720045 0.52729399353422 15.999 > 61 101 O 0.64591354088449 0.09471169720045 0.86062732686756 15.999 > 61 102 O 0.64591354088449 0.59471169720045 0.86062732686756 15.999 > 61 103 O 0.50000000000000 0.30865778779563 0.21374729636723 15.999 > 67 104 O 0.50000000000000 0.80865778779563 0.21374729636723 15.999 > 67 105 O 0.50000000000000 0.30865778779563 0.54708062970057 15.999 > 67 106 O 0.50000000000000 0.80865778779563 0.54708062970057 15.999 > 67 107 O 0.50000000000000 0.30865778779563 0.88041396303390 15.999 > 67 108 O 0.50000000000000 0.80865778779563 0.88041396303390 15.999 > 67 109 O 0.85408645911551 0.15528830279955 0.02729399353422 15.999 > 73 110 O 0.85408645911551 0.65528830279955 0.02729399353422 15.999 > 73 111 O 0.85408645911551 0.15528830279955 0.36062732686756 15.999 > 73 112 O 0.85408645911551 0.65528830279955 0.36062732686756 15.999 > 73 113 O 0.85408645911551 0.15528830279955 0.69396066020089 15.999 > 73 114 O 0.85408645911551 0.65528830279955 0.69396066020089 15.999 > 73 115 O 0.64591354088449 0.40528830279955 0.02729399353422 15.999 > 79 116 O 0.64591354088449 0.90528830279955 0.02729399353422 15.999 > 79 117 O 0.64591354088449 0.40528830279955 0.36062732686756 15.999 > 79 118 O 0.64591354088449 0.90528830279955 0.36062732686756 15.999 > 79 119 O 0.64591354088449 0.40528830279955 0.69396066020089 15.999 > 79 120 O 0.64591354088449 0.90528830279955 0.69396066020089 15.999 > 79 121 Si 0.00000000000000 0.41374926185549 0.16613630911232 28.085 > 121 122 Si 0.00000000000000 0.91374926185549 0.16613630911232 28.085 > 121 123 Si 0.00000000000000 0.41374926185549 0.49946964244566 28.085 > 121 124 Si 0.00000000000000 0.91374926185549 0.49946964244566 28.085 > 121 125 Si 0.00000000000000 0.41374926185549 0.83280297577899 28.085 > 121 126 Si 0.00000000000000 0.91374926185549 0.83280297577899 28.085 > 121 127 Si 0.00000000000000 0.08625073814451 0.33280297577899 28.085 > 127 128 Si 0.00000000000000 0.58625073814451 0.33280297577899 28.085 > 127 129 Si 0.00000000000000 0.08625073814451 0.66613630911232 28.085 > 127 130 Si 0.00000000000000 0.58625073814451 0.66613630911232 28.085 > 127 131 Si 0.00000000000000 0.08625073814451 0.99946964244566 28.085 > 127 132 Si 0.00000000000000 0.58625073814451 0.99946964244566 28.085 > 127 133 Si 0.50000000000000 0.16374926185549 0.16613630911232 28.085 > 121 134 Si 0.50000000000000 0.66374926185549 0.16613630911232 28.085 > 121 135 Si 0.50000000000000 0.16374926185549 0.49946964244566 28.085 > 121 136 Si 0.50000000000000 0.66374926185549 0.49946964244566 28.085 > 121 137 Si 0.50000000000000 0.16374926185549 0.83280297577899 28.085 > 121 138 Si 0.50000000000000 0.66374926185549 0.83280297577899 28.085 > 121 139 Si 0.50000000000000 0.33625073814451 0.33280297577899 28.085 > 127 140 Si 0.50000000000000 0.83625073814451 0.33280297577899 28.085 > 127 141 Si 0.50000000000000 0.33625073814451 0.66613630911232 28.085 > 127 142 Si 0.50000000000000 0.83625073814451 0.66613630911232 28.085 > 127 143 Si 0.50000000000000 0.33625073814451 0.99946964244566 28.085 > 127 144 Si 0.50000000000000 0.83625073814451 0.99946964244566 28.085 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6880009 0.0000000 0.0000000 0.0000000 2.6978983 0.0000000 0.0000000 0.0000000 2.7787141 -------------------------- Born effective charges -------------------------- 1 Li 1.0515742 0.0677350 0.0267411 -0.0479781 1.0182542 -0.0141923 -0.0153189 0.0188573 1.0407141 2 Li 1.0515742 0.0677350 -0.0267411 -0.0479781 1.0182542 0.0141923 0.0153189 -0.0188573 1.0407141 3 Li 1.0515742 -0.0677350 0.0267411 0.0479781 1.0182542 0.0141923 -0.0153189 -0.0188573 1.0407141 4 Li 1.0515742 -0.0677350 -0.0267411 0.0479781 1.0182542 -0.0141923 0.0153189 0.0188573 1.0407141 5 O -1.1365250 0.0000000 0.0000000 0.0000000 -1.8462302 0.4855892 0.0000000 0.5574118 -2.2846502 6 O -1.8428985 -0.1957528 0.1035502 -0.3057733 -1.5495528 0.0968166 0.0956097 0.0288022 -1.4708555 7 O -1.8428985 0.1957528 -0.1035502 0.3057733 -1.5495528 0.0968166 -0.0956097 0.0288022 -1.4708555 8 O -1.1365250 0.0000000 0.0000000 0.0000000 -1.8462302 -0.4855892 0.0000000 -0.5574118 -2.2846502 9 O -1.8428985 0.1957528 0.1035502 0.3057733 -1.5495528 -0.0968166 0.0956097 -0.0288022 -1.4708555 10 O -1.8428985 -0.1957528 -0.1035502 -0.3057733 -1.5495528 -0.0968166 -0.0956097 -0.0288022 -1.4708555 11 Si 2.7191737 0.0000000 0.0000000 0.0000000 2.9088274 -0.2043593 0.0000000 0.1819833 3.1449329 12 Si 2.7191737 0.0000000 0.0000000 0.0000000 2.9088274 0.2043593 0.0000000 -0.1819833 3.1449329 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:37:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:37:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.689092285000000 -2.687019200000000 0.000000000000000 b 4.689092285000000 2.687019200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.659611979999999 Atomic positions (fractional): 1 Li 0.51666264115427 0.83068544219953 0.99589260117799 6.941 2 Li 0.48333735884573 0.16931455780048 0.49589260117799 6.941 3 Li 0.83068544219953 0.51666264115427 0.49589260117799 6.941 4 Li 0.16931455780048 0.48333735884573 0.99589260117799 6.941 5 O 0.11731557559126 0.88268442440874 0.14124188910170 15.999 6 O 0.16466306471460 0.54350985351641 0.58188198060267 15.999 7 O 0.45649014648359 0.83533693528540 0.58188198060267 15.999 8 O 0.88268442440874 0.11731557559126 0.64124188910170 15.999 9 O 0.54350985351641 0.16466306471460 0.08188198060267 15.999 10 O 0.83533693528540 0.45649014648359 0.08188198060267 15.999 11 Si 0.17250147628902 0.82749852371098 0.49840892733697 28.085 12 Si 0.82749852371098 0.17250147628902 0.99840892733697 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.378184570000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.748076800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.978835939999998 Atomic positions (fractional): 1 Li 0.17367404167690 0.32850570026131 0.33196420039266 6.941 > 1 2 Li 0.17367404167690 0.82850570026131 0.33196420039266 6.941 > 1 3 Li 0.17367404167690 0.32850570026131 0.66529753372600 6.941 > 1 4 Li 0.17367404167690 0.82850570026131 0.66529753372600 6.941 > 1 5 Li 0.17367404167690 0.32850570026131 0.99863086705933 6.941 > 1 6 Li 0.17367404167690 0.82850570026131 0.99863086705933 6.941 > 1 7 Li 0.32632595832310 0.42149429973869 0.16529753372600 6.941 > 7 8 Li 0.32632595832310 0.92149429973869 0.16529753372600 6.941 > 7 9 Li 0.32632595832310 0.42149429973869 0.49863086705933 6.941 > 7 10 Li 0.32632595832310 0.92149429973869 0.49863086705933 6.941 > 7 11 Li 0.32632595832310 0.42149429973869 0.83196420039266 6.941 > 7 12 Li 0.32632595832310 0.92149429973869 0.83196420039266 6.941 > 7 13 Li 0.17367404167690 0.17149429973869 0.16529753372600 6.941 > 13 14 Li 0.17367404167690 0.67149429973869 0.16529753372600 6.941 > 13 15 Li 0.17367404167690 0.17149429973869 0.49863086705933 6.941 > 13 16 Li 0.17367404167690 0.67149429973869 0.49863086705933 6.941 > 13 17 Li 0.17367404167690 0.17149429973869 0.83196420039266 6.941 > 13 18 Li 0.17367404167690 0.67149429973869 0.83196420039266 6.941 > 13 19 Li 0.32632595832310 0.07850570026131 0.33196420039266 6.941 > 19 20 Li 0.32632595832310 0.57850570026131 0.33196420039266 6.941 > 19 21 Li 0.32632595832310 0.07850570026131 0.66529753372600 6.941 > 19 22 Li 0.32632595832310 0.57850570026131 0.66529753372600 6.941 > 19 23 Li 0.32632595832310 0.07850570026131 0.99863086705933 6.941 > 19 24 Li 0.32632595832310 0.57850570026131 0.99863086705933 6.941 > 19 25 Li 0.67367404167690 0.07850570026131 0.33196420039266 6.941 > 1 26 Li 0.67367404167690 0.57850570026131 0.33196420039266 6.941 > 1 27 Li 0.67367404167690 0.07850570026131 0.66529753372600 6.941 > 1 28 Li 0.67367404167690 0.57850570026131 0.66529753372600 6.941 > 1 29 Li 0.67367404167690 0.07850570026131 0.99863086705933 6.941 > 1 30 Li 0.67367404167690 0.57850570026131 0.99863086705933 6.941 > 1 31 Li 0.82632595832310 0.17149429973869 0.16529753372600 6.941 > 7 32 Li 0.82632595832310 0.67149429973869 0.16529753372600 6.941 > 7 33 Li 0.82632595832310 0.17149429973869 0.49863086705933 6.941 > 7 34 Li 0.82632595832310 0.67149429973869 0.49863086705933 6.941 > 7 35 Li 0.82632595832310 0.17149429973869 0.83196420039266 6.941 > 7 36 Li 0.82632595832310 0.67149429973869 0.83196420039266 6.941 > 7 37 Li 0.67367404167690 0.42149429973869 0.16529753372600 6.941 > 13 38 Li 0.67367404167690 0.92149429973869 0.16529753372600 6.941 > 13 39 Li 0.67367404167690 0.42149429973869 0.49863086705933 6.941 > 13 40 Li 0.67367404167690 0.92149429973869 0.49863086705933 6.941 > 13 41 Li 0.67367404167690 0.42149429973869 0.83196420039266 6.941 > 13 42 Li 0.67367404167690 0.92149429973869 0.83196420039266 6.941 > 13 43 Li 0.82632595832310 0.32850570026131 0.33196420039266 6.941 > 19 44 Li 0.82632595832310 0.82850570026131 0.33196420039266 6.941 > 19 45 Li 0.82632595832310 0.32850570026131 0.66529753372600 6.941 > 19 46 Li 0.82632595832310 0.82850570026131 0.66529753372600 6.941 > 19 47 Li 0.82632595832310 0.32850570026131 0.99863086705933 6.941 > 19 48 Li 0.82632595832310 0.82850570026131 0.99863086705933 6.941 > 19 49 O 0.00000000000000 0.44134221220437 0.04708062970057 15.999 > 49 50 O 0.00000000000000 0.94134221220437 0.04708062970057 15.999 > 49 51 O 0.00000000000000 0.44134221220437 0.38041396303390 15.999 > 49 52 O 0.00000000000000 0.94134221220437 0.38041396303390 15.999 > 49 53 O 0.00000000000000 0.44134221220437 0.71374729636723 15.999 > 49 54 O 0.00000000000000 0.94134221220437 0.71374729636723 15.999 > 49 55 O 0.35408645911551 0.09471169720045 0.19396066020089 15.999 > 55 56 O 0.35408645911551 0.59471169720045 0.19396066020089 15.999 > 55 57 O 0.35408645911551 0.09471169720045 0.52729399353422 15.999 > 55 58 O 0.35408645911551 0.59471169720045 0.52729399353422 15.999 > 55 59 O 0.35408645911551 0.09471169720045 0.86062732686756 15.999 > 55 60 O 0.35408645911551 0.59471169720045 0.86062732686756 15.999 > 55 61 O 0.14591354088449 0.34471169720045 0.19396066020089 15.999 > 61 62 O 0.14591354088449 0.84471169720045 0.19396066020089 15.999 > 61 63 O 0.14591354088449 0.34471169720045 0.52729399353422 15.999 > 61 64 O 0.14591354088449 0.84471169720045 0.52729399353422 15.999 > 61 65 O 0.14591354088449 0.34471169720045 0.86062732686756 15.999 > 61 66 O 0.14591354088449 0.84471169720045 0.86062732686756 15.999 > 61 67 O 0.00000000000000 0.05865778779563 0.21374729636723 15.999 > 67 68 O 0.00000000000000 0.55865778779563 0.21374729636723 15.999 > 67 69 O 0.00000000000000 0.05865778779563 0.54708062970057 15.999 > 67 70 O 0.00000000000000 0.55865778779563 0.54708062970057 15.999 > 67 71 O 0.00000000000000 0.05865778779563 0.88041396303390 15.999 > 67 72 O 0.00000000000000 0.55865778779563 0.88041396303390 15.999 > 67 73 O 0.35408645911551 0.40528830279955 0.02729399353422 15.999 > 73 74 O 0.35408645911551 0.90528830279955 0.02729399353422 15.999 > 73 75 O 0.35408645911551 0.40528830279955 0.36062732686756 15.999 > 73 76 O 0.35408645911551 0.90528830279955 0.36062732686756 15.999 > 73 77 O 0.35408645911551 0.40528830279955 0.69396066020089 15.999 > 73 78 O 0.35408645911551 0.90528830279955 0.69396066020089 15.999 > 73 79 O 0.14591354088449 0.15528830279955 0.02729399353422 15.999 > 79 80 O 0.14591354088449 0.65528830279955 0.02729399353422 15.999 > 79 81 O 0.14591354088449 0.15528830279955 0.36062732686756 15.999 > 79 82 O 0.14591354088449 0.65528830279955 0.36062732686756 15.999 > 79 83 O 0.14591354088449 0.15528830279955 0.69396066020089 15.999 > 79 84 O 0.14591354088449 0.65528830279955 0.69396066020089 15.999 > 79 85 O 0.50000000000000 0.19134221220437 0.04708062970057 15.999 > 49 86 O 0.50000000000000 0.69134221220437 0.04708062970057 15.999 > 49 87 O 0.50000000000000 0.19134221220437 0.38041396303390 15.999 > 49 88 O 0.50000000000000 0.69134221220437 0.38041396303390 15.999 > 49 89 O 0.50000000000000 0.19134221220437 0.71374729636723 15.999 > 49 90 O 0.50000000000000 0.69134221220437 0.71374729636723 15.999 > 49 91 O 0.85408645911551 0.34471169720045 0.19396066020089 15.999 > 55 92 O 0.85408645911551 0.84471169720045 0.19396066020089 15.999 > 55 93 O 0.85408645911551 0.34471169720045 0.52729399353422 15.999 > 55 94 O 0.85408645911551 0.84471169720045 0.52729399353422 15.999 > 55 95 O 0.85408645911551 0.34471169720045 0.86062732686756 15.999 > 55 96 O 0.85408645911551 0.84471169720045 0.86062732686756 15.999 > 55 97 O 0.64591354088449 0.09471169720045 0.19396066020089 15.999 > 61 98 O 0.64591354088449 0.59471169720045 0.19396066020089 15.999 > 61 99 O 0.64591354088449 0.09471169720045 0.52729399353422 15.999 > 61 100 O 0.64591354088449 0.59471169720045 0.52729399353422 15.999 > 61 101 O 0.64591354088449 0.09471169720045 0.86062732686756 15.999 > 61 102 O 0.64591354088449 0.59471169720045 0.86062732686756 15.999 > 61 103 O 0.50000000000000 0.30865778779563 0.21374729636723 15.999 > 67 104 O 0.50000000000000 0.80865778779563 0.21374729636723 15.999 > 67 105 O 0.50000000000000 0.30865778779563 0.54708062970057 15.999 > 67 106 O 0.50000000000000 0.80865778779563 0.54708062970057 15.999 > 67 107 O 0.50000000000000 0.30865778779563 0.88041396303390 15.999 > 67 108 O 0.50000000000000 0.80865778779563 0.88041396303390 15.999 > 67 109 O 0.85408645911551 0.15528830279955 0.02729399353422 15.999 > 73 110 O 0.85408645911551 0.65528830279955 0.02729399353422 15.999 > 73 111 O 0.85408645911551 0.15528830279955 0.36062732686756 15.999 > 73 112 O 0.85408645911551 0.65528830279955 0.36062732686756 15.999 > 73 113 O 0.85408645911551 0.15528830279955 0.69396066020089 15.999 > 73 114 O 0.85408645911551 0.65528830279955 0.69396066020089 15.999 > 73 115 O 0.64591354088449 0.40528830279955 0.02729399353422 15.999 > 79 116 O 0.64591354088449 0.90528830279955 0.02729399353422 15.999 > 79 117 O 0.64591354088449 0.40528830279955 0.36062732686756 15.999 > 79 118 O 0.64591354088449 0.90528830279955 0.36062732686756 15.999 > 79 119 O 0.64591354088449 0.40528830279955 0.69396066020089 15.999 > 79 120 O 0.64591354088449 0.90528830279955 0.69396066020089 15.999 > 79 121 Si 0.00000000000000 0.41374926185549 0.16613630911232 28.085 > 121 122 Si 0.00000000000000 0.91374926185549 0.16613630911232 28.085 > 121 123 Si 0.00000000000000 0.41374926185549 0.49946964244566 28.085 > 121 124 Si 0.00000000000000 0.91374926185549 0.49946964244566 28.085 > 121 125 Si 0.00000000000000 0.41374926185549 0.83280297577899 28.085 > 121 126 Si 0.00000000000000 0.91374926185549 0.83280297577899 28.085 > 121 127 Si 0.00000000000000 0.08625073814451 0.33280297577899 28.085 > 127 128 Si 0.00000000000000 0.58625073814451 0.33280297577899 28.085 > 127 129 Si 0.00000000000000 0.08625073814451 0.66613630911232 28.085 > 127 130 Si 0.00000000000000 0.58625073814451 0.66613630911232 28.085 > 127 131 Si 0.00000000000000 0.08625073814451 0.99946964244566 28.085 > 127 132 Si 0.00000000000000 0.58625073814451 0.99946964244566 28.085 > 127 133 Si 0.50000000000000 0.16374926185549 0.16613630911232 28.085 > 121 134 Si 0.50000000000000 0.66374926185549 0.16613630911232 28.085 > 121 135 Si 0.50000000000000 0.16374926185549 0.49946964244566 28.085 > 121 136 Si 0.50000000000000 0.66374926185549 0.49946964244566 28.085 > 121 137 Si 0.50000000000000 0.16374926185549 0.83280297577899 28.085 > 121 138 Si 0.50000000000000 0.66374926185549 0.83280297577899 28.085 > 121 139 Si 0.50000000000000 0.33625073814451 0.33280297577899 28.085 > 127 140 Si 0.50000000000000 0.83625073814451 0.33280297577899 28.085 > 127 141 Si 0.50000000000000 0.33625073814451 0.66613630911232 28.085 > 127 142 Si 0.50000000000000 0.83625073814451 0.66613630911232 28.085 > 127 143 Si 0.50000000000000 0.33625073814451 0.99946964244566 28.085 > 127 144 Si 0.50000000000000 0.83625073814451 0.99946964244566 28.085 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6880009 0.0000000 0.0000000 0.0000000 2.6978983 0.0000000 0.0000000 0.0000000 2.7787141 -------------------------- Born effective charges -------------------------- 1 Li 1.0515742 0.0677350 0.0267411 -0.0479781 1.0182542 -0.0141923 -0.0153189 0.0188573 1.0407141 2 Li 1.0515742 0.0677350 -0.0267411 -0.0479781 1.0182542 0.0141923 0.0153189 -0.0188573 1.0407141 3 Li 1.0515742 -0.0677350 0.0267411 0.0479781 1.0182542 0.0141923 -0.0153189 -0.0188573 1.0407141 4 Li 1.0515742 -0.0677350 -0.0267411 0.0479781 1.0182542 -0.0141923 0.0153189 0.0188573 1.0407141 5 O -1.1365250 0.0000000 0.0000000 0.0000000 -1.8462302 0.4855892 0.0000000 0.5574118 -2.2846502 6 O -1.8428985 -0.1957528 0.1035502 -0.3057733 -1.5495528 0.0968166 0.0956097 0.0288022 -1.4708555 7 O -1.8428985 0.1957528 -0.1035502 0.3057733 -1.5495528 0.0968166 -0.0956097 0.0288022 -1.4708555 8 O -1.1365250 0.0000000 0.0000000 0.0000000 -1.8462302 -0.4855892 0.0000000 -0.5574118 -2.2846502 9 O -1.8428985 0.1957528 0.1035502 0.3057733 -1.5495528 -0.0968166 0.0956097 -0.0288022 -1.4708555 10 O -1.8428985 -0.1957528 -0.1035502 -0.3057733 -1.5495528 -0.0968166 -0.0956097 -0.0288022 -1.4708555 11 Si 2.7191737 0.0000000 0.0000000 0.0000000 2.9088274 -0.2043593 0.0000000 0.1819833 3.1449329 12 Si 2.7191737 0.0000000 0.0000000 0.0000000 2.9088274 0.2043593 0.0000000 -0.1819833 3.1449329 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.85, Number of G-points: 277, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/216) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 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 6.066 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 7.038 ( 0.000 0.000 0.000) 0.000 7.398 ( 0.000 0.000 0.000) 0.000 9.428 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 10.055 ( 0.000 0.000 0.000) 0.000 10.136 ( 0.000 0.000 -0.000) 0.000 10.441 ( 0.000 0.000 0.000) 0.000 10.732 ( 0.000 0.000 0.000) 0.000 10.762 ( 0.000 0.000 -0.000) 0.000 11.031 ( 0.000 0.000 0.000) 0.000 11.771 ( 0.000 0.000 0.000) 0.000 11.776 ( 0.000 0.000 -0.000) 0.000 12.610 ( 0.000 0.000 0.000) 0.000 12.925 ( 0.000 0.000 -0.000) 0.000 13.230 ( 0.000 0.000 0.000) 0.000 13.304 ( 0.000 0.000 0.000) 0.000 14.654 ( 0.000 0.000 0.000) 0.000 14.741 ( 0.000 0.000 -0.000) 0.000 15.281 ( 0.000 0.000 -0.000) 0.000 15.412 ( 0.000 0.000 -0.000) 0.000 15.700 ( 0.000 0.000 -0.000) 0.000 16.143 ( 0.000 0.000 0.000) 0.000 16.778 ( 0.000 0.000 -0.000) 0.000 17.625 ( 0.000 0.000 0.000) 0.000 21.297 ( 0.000 0.000 0.000) 0.000 24.777 ( 0.000 0.000 0.000) 0.000 26.248 ( 0.000 0.000 0.000) 0.000 27.090 ( 0.000 0.000 0.000) 0.000 28.639 ( 0.000 0.000 0.000) 0.000 30.435 ( 0.000 0.000 0.000) 0.000 30.467 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/216) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 29.971 -34.741 0.000) 45.883 1.001 ( 23.386 -44.412 0.000) 50.193 1.394 ( 32.285 -62.276 0.000) 70.147 6.071 ( 1.622 1.072 0.000) 1.944 6.671 ( -6.426 1.625 0.000) 6.628 6.833 ( 0.421 13.559 0.000) 13.566 7.467 ( 3.567 2.646 0.000) 4.441 9.181 ( -12.359 14.673 0.000) 19.184 9.471 ( 3.785 11.464 0.000) 12.073 9.974 ( -10.582 3.663 0.000) 11.198 10.166 ( -7.817 -2.856 0.000) 8.323 10.504 ( -10.319 -8.675 0.000) 13.480 10.660 ( 5.942 8.892 0.000) 10.695 10.847 ( 14.111 -0.581 0.000) 14.123 11.675 ( -18.486 -7.154 0.000) 19.822 11.766 ( 3.312 2.805 0.000) 4.340 11.976 ( 0.813 -17.763 0.000) 17.782 12.663 ( -1.165 -6.569 0.000) 6.671 13.020 ( -4.382 -6.578 0.000) 7.904 13.215 ( 3.850 4.402 0.000) 5.848 13.643 ( 43.099 26.957 0.000) 50.835 14.470 ( -2.906 15.864 0.000) 16.128 14.717 ( 7.722 12.998 0.000) 15.119 15.395 ( -3.054 0.309 0.000) 3.070 15.686 ( 0.328 -1.301 0.000) 1.341 16.316 ( -2.164 -19.175 0.000) 19.297 16.706 ( -2.962 -1.954 0.000) 3.548 17.388 ( -18.701 -4.770 0.000) 19.300 17.717 ( 13.051 0.062 0.000) 13.051 21.949 ( -25.951 -14.891 0.000) 29.920 24.777 ( -0.133 -0.132 0.000) 0.187 26.275 ( -0.090 -0.975 0.000) 0.979 28.607 ( -45.424 -23.879 0.000) 51.318 28.796 ( -80.494 -51.989 0.000) 95.824 30.466 ( -0.940 -4.027 0.000) 4.135 31.987 ( 119.097 72.197 0.000) 139.271 ======================= Grid point 2 (3/216) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 30.229 -31.237 0.000) 43.469 1.970 ( 19.719 -45.171 0.000) 49.287 2.725 ( 29.544 -58.756 0.000) 65.766 6.019 ( 4.281 10.319 0.000) 11.172 6.304 ( -18.926 16.790 0.000) 25.300 6.849 ( 1.919 -4.483 0.000) 4.876 7.322 ( 5.297 18.671 0.000) 19.408 8.786 ( -11.790 18.056 0.000) 21.564 9.291 ( -10.647 5.403 0.000) 11.940 9.771 ( -6.354 6.096 0.000) 8.805 10.063 ( -5.546 4.080 0.000) 6.885 10.478 ( -1.769 4.268 0.000) 4.620 10.686 ( -4.512 -8.838 0.000) 9.923 11.082 ( 8.822 -10.985 0.000) 14.089 11.571 ( -8.772 4.211 0.000) 9.731 11.736 ( 6.145 6.000 0.000) 8.589 12.289 ( 2.055 -16.524 0.000) 16.651 12.776 ( -1.448 -6.986 0.000) 7.135 13.107 ( -1.376 -6.103 0.000) 6.256 13.125 ( 4.583 12.088 0.000) 12.927 13.552 ( 19.109 19.764 0.000) 27.491 14.242 ( 3.585 8.164 0.000) 8.917 14.547 ( 2.153 9.788 0.000) 10.022 15.345 ( -5.032 0.999 0.000) 5.130 15.719 ( 4.297 2.119 0.000) 4.791 16.573 ( -11.520 -16.180 0.000) 19.862 16.723 ( -3.546 -4.520 0.000) 5.745 17.342 ( -7.263 -5.878 0.000) 9.343 17.836 ( 11.294 0.069 0.000) 11.294 21.949 ( -10.922 -6.248 0.000) 12.583 24.779 ( -0.209 -0.233 0.000) 0.313 26.298 ( 0.536 -1.475 0.000) 1.569 28.586 ( -32.713 -18.495 0.000) 37.579 28.903 ( -23.227 -19.697 0.000) 30.455 30.548 ( -2.182 -7.349 0.000) 7.666 31.892 ( 56.151 39.187 0.000) 68.473 ======================= Grid point 3 (4/216) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 26.146 -27.740 0.000) 38.120 2.898 ( 18.238 -42.280 0.000) 46.046 3.912 ( 20.764 -50.456 0.000) 54.562 5.700 ( 0.721 26.470 0.000) 26.480 5.950 ( -16.594 5.322 0.000) 17.426 6.821 ( -6.563 10.764 0.000) 12.607 7.086 ( 13.084 13.634 0.000) 18.896 8.317 ( -11.900 23.874 0.000) 26.675 9.128 ( -12.353 -1.795 0.000) 12.482 9.733 ( -2.003 -4.937 0.000) 5.328 9.972 ( -2.865 1.332 0.000) 3.160 10.365 ( -2.153 6.022 0.000) 6.395 10.791 ( -8.039 -9.843 0.000) 12.709 11.239 ( -6.088 3.049 0.000) 6.809 11.440 ( 2.674 -0.036 0.000) 2.675 11.691 ( 8.211 7.175 0.000) 10.904 12.551 ( 1.530 -11.040 0.000) 11.146 12.847 ( 4.811 6.595 0.000) 8.163 12.864 ( -2.724 10.434 0.000) 10.784 13.189 ( -2.679 -4.400 0.000) 5.151 13.416 ( 7.966 9.525 0.000) 12.417 14.277 ( 11.343 -1.729 0.000) 11.474 14.473 ( 6.196 3.621 0.000) 7.176 15.261 ( -6.991 2.077 0.000) 7.293 15.666 ( 0.848 6.965 0.000) 7.016 16.633 ( -19.266 -11.272 0.000) 22.321 16.776 ( 0.364 -1.630 0.000) 1.670 17.447 ( 1.316 -8.729 0.000) 8.828 17.932 ( 7.479 -0.734 0.000) 7.515 21.949 ( -5.466 -3.038 0.000) 6.254 24.781 ( -0.206 -0.270 0.000) 0.340 26.333 ( 0.836 -1.727 0.000) 1.919 28.597 ( -21.876 -14.024 0.000) 25.985 29.002 ( -8.193 -9.766 0.000) 12.748 30.663 ( -3.638 -9.303 0.000) 9.989 31.759 ( 33.631 27.664 0.000) 43.547 ======================= Grid point 4 (5/216) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 17.317 -19.846 0.000) 26.339 3.725 ( 15.419 -34.782 0.000) 38.047 4.633 ( -0.705 -15.087 0.000) 15.104 5.499 ( 0.089 -9.609 0.000) 9.609 5.698 ( 1.641 13.000 0.000) 13.103 6.514 ( 0.059 15.814 0.000) 15.814 6.977 ( 0.189 11.854 0.000) 11.856 7.804 ( -7.583 22.990 0.000) 24.208 9.126 ( -7.071 -7.818 0.000) 10.541 9.816 ( -5.631 -7.289 0.000) 9.211 9.982 ( 2.537 -3.011 0.000) 3.937 10.253 ( -0.238 5.396 0.000) 5.401 10.854 ( -10.363 -7.924 0.000) 13.045 10.981 ( -11.144 10.773 0.000) 15.500 11.494 ( 4.324 2.174 0.000) 4.840 11.652 ( 11.144 10.020 0.000) 14.986 12.547 ( 1.596 9.816 0.000) 9.945 12.682 ( -6.019 -1.757 0.000) 6.271 12.949 ( 6.020 -4.583 0.000) 7.566 13.192 ( -1.502 0.892 0.000) 1.747 13.393 ( 1.031 -0.379 0.000) 1.099 14.459 ( 13.175 -4.354 0.000) 13.876 14.522 ( 8.958 0.176 0.000) 8.959 15.140 ( -8.925 2.926 0.000) 9.393 15.524 ( -3.277 7.273 0.000) 7.977 16.632 ( -16.060 -9.361 0.000) 18.589 16.771 ( 3.160 3.716 0.000) 4.878 17.611 ( 2.368 -7.331 0.000) 7.704 18.004 ( 3.899 -1.079 0.000) 4.046 21.946 ( -2.627 -1.362 0.000) 2.959 24.784 ( -0.142 -0.218 0.000) 0.260 26.368 ( 0.737 -1.405 0.000) 1.587 28.630 ( -12.690 -9.356 0.000) 15.766 29.069 ( -2.661 -4.388 0.000) 5.132 30.782 ( -4.383 -8.898 0.000) 9.919 31.622 ( 20.143 18.943 0.000) 27.651 ======================= Grid point 5 (6/216) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( 4.081 -5.524 0.000) 6.868 4.299 ( 7.675 -16.377 0.000) 18.086 4.688 ( 2.802 -0.471 0.000) 2.841 5.358 ( -15.156 4.908 0.000) 15.931 5.959 ( 14.211 -9.933 0.000) 17.338 6.400 ( 5.720 -0.255 0.000) 5.725 6.688 ( -8.238 13.283 0.000) 15.630 7.459 ( -2.202 10.818 0.000) 11.040 9.198 ( -2.384 -4.446 0.000) 5.045 9.858 ( -3.016 -3.009 0.000) 4.261 10.074 ( 1.989 -2.978 0.000) 3.581 10.189 ( 0.996 2.448 0.000) 2.643 10.731 ( -5.875 5.127 0.000) 7.797 10.889 ( -5.165 -3.464 0.000) 6.219 11.483 ( -0.166 0.019 0.000) 0.167 11.551 ( 7.285 10.198 0.000) 12.533 12.509 ( 0.627 -2.276 0.000) 2.361 12.621 ( -2.821 2.915 0.000) 4.057 13.073 ( 4.354 -2.872 0.000) 5.216 13.155 ( -2.040 1.148 0.000) 2.341 13.410 ( -0.427 -0.860 0.000) 0.961 14.590 ( 5.023 -0.259 0.000) 5.029 14.653 ( 8.465 -3.311 0.000) 9.090 15.005 ( -7.224 2.411 0.000) 7.615 15.397 ( -2.461 3.205 0.000) 4.041 16.641 ( -8.001 -5.203 0.000) 9.544 16.734 ( 3.578 3.830 0.000) 5.242 17.716 ( 0.939 -2.811 0.000) 2.964 18.041 ( 1.162 -0.455 0.000) 1.248 21.944 ( -0.787 -0.380 0.000) 0.874 24.785 ( -0.049 -0.084 0.000) 0.097 26.391 ( 0.289 -0.540 0.000) 0.612 28.658 ( -4.182 -3.397 0.000) 5.388 29.100 ( -0.560 -1.155 0.000) 1.284 30.864 ( -2.331 -4.139 0.000) 4.750 31.527 ( 7.283 7.378 0.000) 10.367 ======================= Grid point 12 (7/216) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 39.679 -0.000 0.000) 39.679 0.898 ( 46.183 -0.000 0.000) 46.183 1.508 ( 76.003 -0.000 0.000) 76.003 6.089 ( 0.510 -0.000 0.000) 0.510 6.647 ( -1.799 0.000 0.000) 1.799 6.958 ( -6.896 0.000 0.000) 6.896 7.519 ( 0.816 -0.000 0.000) 0.816 9.166 ( -16.782 0.000 0.000) 16.782 9.714 ( 7.866 -0.000 0.000) 7.866 9.831 ( -18.551 0.000 0.000) 18.551 9.946 ( -18.734 0.000 0.000) 18.734 10.286 ( -8.184 0.000 0.000) 8.184 10.946 ( 13.655 -0.000 0.000) 13.655 11.141 ( -3.575 0.000 0.000) 3.575 11.262 ( 17.067 -0.000 0.000) 17.067 11.771 ( -0.750 0.000 0.000) 0.750 11.853 ( 8.128 -0.000 0.000) 8.128 12.594 ( -1.625 0.000 0.000) 1.625 12.965 ( 4.168 -0.000 0.000) 4.168 13.311 ( 8.041 -0.000 0.000) 8.041 14.242 ( -0.716 0.000 0.000) 0.716 14.633 ( -10.657 0.000 0.000) 10.657 15.244 ( -3.757 0.000 0.000) 3.757 15.354 ( -5.790 0.000 0.000) 5.790 15.656 ( -4.705 0.000 0.000) 4.705 15.794 ( -1.357 0.000 0.000) 1.357 16.775 ( -0.219 0.000 0.000) 0.219 16.969 ( -16.011 0.000 0.000) 16.011 18.000 ( 26.622 -0.000 0.000) 26.622 21.307 ( 0.926 -0.000 0.000) 0.926 24.777 ( 0.046 -0.000 0.000) 0.046 26.249 ( 0.139 -0.000 0.000) 0.139 27.108 ( 1.843 -0.000 0.000) 1.843 28.693 ( 5.456 -0.000 0.000) 5.456 30.418 ( -1.742 0.000 0.000) 1.742 33.529 ( -2.639 0.000 0.000) 2.639 ======================= Grid point 13 (8/216) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 31.681 -29.979 0.000) 43.617 1.604 ( 37.283 -28.010 0.000) 46.633 2.445 ( 63.629 -25.657 0.000) 68.607 6.053 ( -8.095 1.470 0.000) 8.228 6.532 ( -4.445 14.924 0.000) 15.572 6.811 ( -1.736 3.080 0.000) 3.536 7.543 ( 3.612 1.036 0.000) 3.757 8.875 ( -17.394 12.178 0.000) 21.234 9.402 ( -12.365 16.990 0.000) 21.013 9.766 ( -10.433 0.834 0.000) 10.466 9.909 ( -12.222 -7.013 0.000) 14.091 10.314 ( -8.487 -9.816 0.000) 12.976 10.826 ( 8.140 13.692 0.000) 15.929 11.142 ( 14.428 3.275 0.000) 14.795 11.463 ( -5.386 -5.018 0.000) 7.362 11.861 ( 3.554 -0.267 0.000) 3.564 12.039 ( 7.405 -14.801 0.000) 16.549 12.635 ( -1.952 -6.593 0.000) 6.876 13.041 ( 4.123 -2.762 0.000) 4.963 13.348 ( 9.146 6.710 0.000) 11.344 14.103 ( 10.157 18.319 0.000) 20.946 14.356 ( -8.774 8.159 0.000) 11.982 14.836 ( 0.558 25.202 0.000) 25.208 15.311 ( -4.624 0.503 0.000) 4.651 15.621 ( -8.220 -12.728 0.000) 15.151 16.246 ( -4.630 -22.994 0.000) 23.456 16.578 ( -9.376 5.575 0.000) 10.908 17.073 ( -8.746 -14.205 0.000) 16.681 18.118 ( 24.843 11.802 0.000) 27.504 21.582 ( -9.717 -21.207 0.000) 23.327 24.776 ( 0.027 0.083 0.000) 0.087 26.276 ( 0.177 -1.904 0.000) 1.912 27.549 ( -20.668 -40.831 0.000) 45.764 28.781 ( 7.027 -2.852 0.000) 7.583 30.428 ( -2.771 -3.653 0.000) 4.585 33.060 ( 18.811 42.585 0.000) 46.555 ======================= Grid point 14 (9/216) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 25.630 -29.177 0.000) 38.835 2.479 ( 31.740 -34.628 0.000) 46.974 3.490 ( 44.009 -33.182 0.000) 55.116 5.805 ( -26.641 9.072 0.000) 28.143 6.195 ( 7.564 20.195 0.000) 21.565 6.812 ( -3.015 -1.250 0.000) 3.264 7.484 ( 9.445 13.710 0.000) 16.648 8.495 ( -16.853 12.911 0.000) 21.230 9.026 ( -15.419 9.077 0.000) 17.892 9.679 ( -4.387 -0.066 0.000) 4.387 9.872 ( -9.662 -3.221 0.000) 10.184 10.379 ( -8.892 -6.651 0.000) 11.104 10.703 ( 5.098 8.197 0.000) 9.653 11.259 ( 3.662 2.384 0.000) 4.370 11.421 ( -1.302 -2.879 0.000) 3.159 11.859 ( 4.902 4.581 0.000) 6.709 12.353 ( 4.510 -13.837 0.000) 14.554 12.750 ( -1.658 -8.246 0.000) 8.411 13.107 ( 1.168 -1.213 0.000) 1.684 13.227 ( 5.900 16.310 0.000) 17.344 13.809 ( 7.700 24.220 0.000) 25.415 14.316 ( 2.868 -4.370 0.000) 5.227 14.564 ( -0.889 5.745 0.000) 5.814 15.238 ( -5.062 2.672 0.000) 5.724 15.728 ( -5.311 -4.888 0.000) 7.218 16.278 ( -15.763 -0.440 0.000) 15.770 16.648 ( -3.598 -15.339 0.000) 15.755 17.250 ( -2.150 -12.982 0.000) 13.159 18.131 ( 17.976 10.724 0.000) 20.932 21.768 ( -6.834 -11.278 0.000) 13.187 24.776 ( -0.029 -0.095 0.000) 0.100 26.313 ( 0.976 -1.888 0.000) 2.125 27.944 ( -20.751 -30.576 0.000) 36.952 28.908 ( 6.536 -3.891 0.000) 7.607 30.481 ( -4.487 -6.534 0.000) 7.927 32.598 ( 20.756 35.348 0.000) 40.992 ======================= Grid point 15 (10/216) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 18.773 -23.255 0.000) 29.887 3.352 ( 27.692 -33.389 0.000) 43.378 4.304 ( 15.746 -24.684 0.000) 29.279 5.357 ( -26.762 8.362 0.000) 28.038 6.031 ( 15.898 12.030 0.000) 19.936 6.722 ( -1.627 8.470 0.000) 8.625 7.284 ( 6.323 19.396 0.000) 20.400 8.086 ( -10.217 19.110 0.000) 21.670 8.863 ( -15.729 -7.365 0.000) 17.368 9.692 ( -0.304 -3.902 0.000) 3.914 9.878 ( -4.963 -6.471 0.000) 8.155 10.359 ( -2.824 1.746 0.000) 3.320 10.651 ( -3.668 -0.799 0.000) 3.754 11.054 ( -10.593 10.221 0.000) 14.721 11.582 ( 9.912 -2.023 0.000) 10.117 11.829 ( 5.152 3.246 0.000) 6.089 12.556 ( -1.921 -7.233 0.000) 7.484 12.839 ( 1.514 8.476 0.000) 8.610 12.928 ( 1.981 6.627 0.000) 6.916 13.145 ( -0.696 -0.475 0.000) 0.843 13.546 ( 5.269 13.198 0.000) 14.211 14.478 ( 7.938 -7.091 0.000) 10.644 14.571 ( 2.525 -3.175 0.000) 4.056 15.121 ( -5.542 5.114 0.000) 7.541 15.642 ( -3.337 8.833 0.000) 9.442 16.204 ( -22.669 -13.282 0.000) 26.274 16.834 ( 4.138 -5.805 0.000) 7.129 17.453 ( -0.581 -11.863 0.000) 11.877 18.115 ( 10.860 7.443 0.000) 13.166 21.858 ( -3.559 -5.816 0.000) 6.819 24.779 ( -0.027 -0.212 0.000) 0.213 26.355 ( 1.440 -1.574 0.000) 2.133 28.218 ( -13.318 -22.082 0.000) 25.787 29.024 ( 5.096 -2.824 0.000) 5.827 30.555 ( -7.001 -8.600 0.000) 11.089 32.243 ( 17.104 28.806 0.000) 33.501 ======================= Grid point 16 (11/216) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 7.044 -10.724 0.000) 12.831 4.094 ( 21.764 -23.686 0.000) 32.166 4.621 ( 0.298 -9.874 0.000) 9.879 5.047 ( -29.365 -2.337 0.000) 29.458 6.121 ( 19.435 1.453 0.000) 19.489 6.593 ( 10.842 9.040 0.000) 14.116 6.928 ( -3.813 22.113 0.000) 22.439 7.694 ( -3.643 19.172 0.000) 19.515 8.924 ( -13.813 -15.396 0.000) 20.684 9.789 ( 2.872 -5.555 0.000) 6.253 9.986 ( -0.149 -8.104 0.000) 8.105 10.284 ( 0.836 5.979 0.000) 6.037 10.645 ( -9.637 -6.142 0.000) 11.428 10.820 ( -5.162 6.037 0.000) 7.943 11.580 ( 3.320 7.531 0.000) 8.230 11.829 ( 7.244 8.703 0.000) 11.324 12.509 ( -5.000 2.675 0.000) 5.670 12.675 ( 5.595 6.080 0.000) 8.263 13.031 ( 0.818 -6.667 0.000) 6.717 13.126 ( -3.407 0.519 0.000) 3.446 13.450 ( 4.241 4.443 0.000) 6.142 14.642 ( 1.076 -2.305 0.000) 2.544 14.676 ( 7.081 -4.997 0.000) 8.667 14.966 ( -4.977 5.934 0.000) 7.745 15.454 ( -3.702 6.862 0.000) 7.797 16.254 ( -19.500 -16.034 0.000) 25.246 16.929 ( 9.731 2.145 0.000) 9.965 17.619 ( -1.378 -8.341 0.000) 8.454 18.095 ( 5.307 4.204 0.000) 6.770 21.907 ( -1.402 -2.998 0.000) 3.309 24.782 ( 0.016 -0.212 0.000) 0.213 26.390 ( 1.407 -0.706 0.000) 1.574 28.446 ( -5.300 -15.541 0.000) 16.420 29.099 ( 3.968 -0.943 0.000) 4.078 30.631 ( -10.117 -9.992 0.000) 14.220 31.945 ( 12.849 23.661 0.000) 26.925 ======================= Grid point 17 (12/216) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.455 ( -0.505 -0.005 0.000) 0.505 4.460 ( 8.142 1.486 0.000) 8.276 4.609 ( -15.892 1.658 0.000) 15.978 5.077 ( -4.017 -22.651 0.000) 23.004 6.139 ( -1.631 8.985 0.000) 9.132 6.587 ( 9.834 16.682 0.000) 19.364 6.656 ( 9.547 0.803 0.000) 9.581 7.409 ( -2.770 6.688 0.000) 7.239 9.070 ( -9.651 -13.912 0.000) 16.932 9.915 ( 5.380 -3.739 0.000) 6.551 10.107 ( 3.575 -2.368 0.000) 4.288 10.170 ( -0.855 6.059 0.000) 6.119 10.691 ( -2.064 -7.512 0.000) 7.790 10.809 ( -0.527 -7.506 0.000) 7.525 11.457 ( -3.962 5.881 0.000) 7.091 11.658 ( 4.449 14.227 0.000) 14.906 12.545 ( 3.053 -4.658 0.000) 5.569 12.621 ( 3.084 4.907 0.000) 5.796 13.065 ( -5.074 1.757 0.000) 5.370 13.117 ( -1.735 -3.819 0.000) 4.194 13.450 ( 4.589 1.394 0.000) 4.796 14.594 ( -12.664 1.455 0.000) 12.748 14.670 ( 1.738 10.443 0.000) 10.587 14.965 ( 3.147 -6.930 0.000) 7.611 15.390 ( 1.460 -0.614 0.000) 1.583 16.358 ( -13.962 -15.364 0.000) 20.761 16.968 ( 13.502 6.018 0.000) 14.783 17.696 ( -3.005 -2.982 0.000) 4.234 18.072 ( 1.833 2.858 0.000) 3.395 21.938 ( 0.088 -1.609 0.000) 1.612 24.786 ( 0.078 -0.110 0.000) 0.135 26.403 ( 0.946 0.486 0.000) 1.063 28.638 ( 1.824 -8.885 0.000) 9.070 29.141 ( 4.574 0.391 0.000) 4.591 30.692 ( -13.398 -10.620 0.000) 17.096 31.688 ( 7.805 18.685 0.000) 20.249 ======================= Grid point 18 (13/216) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( -10.684 16.609 0.000) 19.748 4.187 ( -3.432 28.712 0.000) 28.917 4.602 ( -5.638 -14.445 0.000) 15.506 5.383 ( -7.701 -8.092 0.000) 11.171 5.909 ( 5.707 15.569 0.000) 16.582 6.353 ( 0.924 4.679 0.000) 4.769 6.855 ( 6.673 -6.573 0.000) 9.366 7.499 ( 2.376 -17.087 0.000) 17.251 9.181 ( -2.683 -6.261 0.000) 6.812 9.966 ( -3.483 7.863 0.000) 8.599 9.996 ( 2.066 1.785 0.000) 2.730 10.250 ( 11.295 -2.403 0.000) 11.548 10.892 ( 7.706 -12.131 0.000) 14.371 10.974 ( 3.991 -6.137 0.000) 7.321 11.344 ( -13.320 -4.809 0.000) 14.161 11.513 ( 2.236 6.582 0.000) 6.952 12.522 ( 1.764 5.066 0.000) 5.364 12.712 ( 6.205 -5.085 0.000) 8.022 12.962 ( -6.018 4.113 0.000) 7.289 13.140 ( -3.712 -2.748 0.000) 4.618 13.465 ( 5.225 3.080 0.000) 6.066 14.394 ( -15.597 4.084 0.000) 16.123 14.495 ( -4.903 7.232 0.000) 8.738 15.128 ( 4.630 -6.591 0.000) 8.054 15.466 ( 3.678 -4.164 0.000) 5.555 16.496 ( -8.019 -13.210 0.000) 15.454 17.000 ( 16.049 6.970 0.000) 17.497 17.658 ( -5.056 2.689 0.000) 5.726 18.028 ( -0.311 3.377 0.000) 3.392 21.966 ( 1.283 -0.996 0.000) 1.624 24.787 ( 0.142 0.039 0.000) 0.148 26.392 ( 0.300 1.554 0.000) 1.583 28.768 ( 5.396 -1.939 0.000) 5.734 29.197 ( 10.729 0.943 0.000) 10.771 30.723 ( -16.087 -9.645 0.000) 18.757 31.463 ( 0.378 12.630 0.000) 12.636 ======================= Grid point 19 (14/216) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -18.203 28.520 0.000) 33.834 3.507 ( -7.265 42.895 0.000) 43.506 4.623 ( -1.678 38.940 0.000) 38.976 5.198 ( -12.240 -21.306 0.000) 24.571 6.024 ( 17.369 -7.864 0.000) 19.066 6.529 ( 0.693 -19.242 0.000) 19.254 6.905 ( -6.481 -0.771 0.000) 6.527 7.963 ( 7.586 -28.183 0.000) 29.186 9.250 ( 6.715 -0.641 0.000) 6.746 9.782 ( -10.369 3.286 0.000) 10.877 9.978 ( 2.973 4.108 0.000) 5.071 10.415 ( 16.288 -0.730 0.000) 16.304 10.979 ( 0.242 6.367 0.000) 6.372 11.197 ( 8.694 -12.334 0.000) 15.090 11.395 ( -7.879 -7.312 0.000) 10.749 11.467 ( -3.344 -3.387 0.000) 4.759 12.524 ( -0.602 -6.384 0.000) 6.412 12.761 ( -1.395 7.330 0.000) 7.461 12.879 ( 2.339 -1.300 0.000) 2.676 13.155 ( -4.540 -3.931 0.000) 6.006 13.428 ( 4.041 6.958 0.000) 8.046 14.193 ( -12.966 2.469 0.000) 13.199 14.367 ( -6.187 0.549 0.000) 6.211 15.264 ( 3.954 -4.504 0.000) 5.993 15.570 ( 1.275 -4.572 0.000) 4.747 16.636 ( -2.902 -9.176 0.000) 9.624 17.037 ( 17.281 8.522 0.000) 19.268 17.522 ( -6.966 5.600 0.000) 8.938 17.948 ( -1.841 4.789 0.000) 5.130 21.999 ( 2.387 -0.822 0.000) 2.524 24.787 ( 0.182 0.174 0.000) 0.252 26.360 ( -0.177 2.086 0.000) 2.094 28.803 ( 3.277 2.469 0.000) 4.103 29.342 ( 26.481 2.698 0.000) 26.618 30.697 ( -17.447 -6.310 0.000) 18.553 31.262 ( -11.866 5.047 0.000) 12.894 ======================= Grid point 20 (15/216) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -15.581 34.439 0.000) 37.800 2.656 ( -6.509 48.696 0.000) 49.129 3.620 ( -7.867 63.296 0.000) 63.783 5.631 ( -2.436 -27.432 0.000) 27.540 6.337 ( 17.457 -6.574 0.000) 18.653 6.808 ( -13.270 -5.971 0.000) 14.551 6.922 ( 2.351 -18.981 0.000) 19.126 8.492 ( 5.079 -25.222 0.000) 25.728 9.367 ( 11.401 -1.540 0.000) 11.505 9.688 ( -6.790 -4.955 0.000) 8.406 9.949 ( -2.112 -1.064 0.000) 2.365 10.566 ( 15.775 2.206 0.000) 15.928 10.831 ( -6.547 6.234 0.000) 9.040 11.270 ( 0.634 12.594 0.000) 12.610 11.479 ( 2.756 -11.857 0.000) 12.173 11.564 ( -3.764 -8.550 0.000) 9.342 12.529 ( -0.304 12.736 0.000) 12.740 12.773 ( -2.238 -17.496 0.000) 17.639 12.908 ( 1.306 1.493 0.000) 1.983 13.182 ( -3.993 -3.738 0.000) 5.469 13.312 ( -0.566 7.912 0.000) 7.932 14.094 ( -5.870 -2.799 0.000) 6.503 14.377 ( -2.912 -6.950 0.000) 7.535 15.356 ( 2.571 -2.604 0.000) 3.659 15.633 ( -1.553 -2.997 0.000) 3.375 16.735 ( -0.019 -3.798 0.000) 3.798 16.978 ( 10.213 16.717 0.000) 19.590 17.406 ( -2.355 0.253 0.000) 2.368 17.835 ( -2.478 5.739 0.000) 6.252 22.041 ( 3.099 -1.068 0.000) 3.278 24.785 ( 0.148 0.248 0.000) 0.289 26.323 ( -0.246 1.947 0.000) 1.963 28.765 ( 0.678 3.770 0.000) 3.831 29.646 ( 50.067 3.855 0.000) 50.215 30.596 ( -21.847 -4.000 0.000) 22.211 31.029 ( -28.064 1.063 0.000) 28.085 ======================= Grid point 21 (16/216) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 38.093 0.000) 38.093 1.765 ( 0.000 51.721 0.000) 51.721 2.441 ( 0.000 69.612 0.000) 69.612 5.969 ( -0.000 -12.445 0.000) 12.445 6.552 ( -0.000 -11.184 0.000) 11.184 6.768 ( 0.000 1.873 0.000) 1.873 7.282 ( -0.000 -18.152 0.000) 18.152 8.908 ( -0.000 -21.726 0.000) 21.726 9.393 ( 0.000 1.896 0.000) 1.896 9.950 ( -0.000 -22.998 0.000) 22.998 9.971 ( -0.000 -3.840 0.000) 3.840 10.575 ( 0.000 6.707 0.000) 6.707 10.713 ( 0.000 2.783 0.000) 2.783 10.996 ( 0.000 18.081 0.000) 18.081 11.666 ( -0.000 -5.931 0.000) 5.931 11.686 ( -0.000 -9.770 0.000) 9.770 12.274 ( 0.000 16.853 0.000) 16.853 12.809 ( 0.000 8.162 0.000) 8.162 13.065 ( -0.000 -13.063 0.000) 13.063 13.169 ( 0.000 6.011 0.000) 6.011 13.232 ( -0.000 -4.558 0.000) 4.558 14.203 ( -0.000 -13.363 0.000) 13.363 14.520 ( -0.000 -10.226 0.000) 10.226 15.401 ( -0.000 -1.081 0.000) 1.081 15.656 ( -0.000 -1.591 0.000) 1.591 16.683 ( 0.000 21.776 0.000) 21.776 16.758 ( 0.000 1.057 0.000) 1.057 17.444 ( -0.000 -3.138 0.000) 3.138 17.723 ( 0.000 5.190 0.000) 5.190 22.086 ( -0.000 -1.554 0.000) 1.554 24.782 ( 0.000 0.242 0.000) 0.242 26.293 ( 0.000 1.366 0.000) 1.366 28.704 ( 0.000 3.458 0.000) 3.458 30.214 ( -0.000 -8.115 0.000) 8.115 30.350 ( -0.000 -2.080 0.000) 2.080 30.701 ( 0.000 10.650 0.000) 10.650 ======================= Grid point 24 (17/216) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 38.059 -0.000 0.000) 38.059 1.783 ( 45.002 -0.000 0.000) 45.002 2.909 ( 67.196 -0.000 0.000) 67.196 5.945 ( -18.754 0.000 0.000) 18.754 6.621 ( -0.080 0.000 0.000) 0.080 6.886 ( 2.389 -0.000 0.000) 2.389 7.505 ( -3.255 0.000 0.000) 3.255 8.858 ( -13.703 0.000 0.000) 13.703 9.389 ( -25.677 0.000 0.000) 25.677 9.598 ( -15.116 0.000 0.000) 15.116 9.786 ( -0.761 0.000 0.000) 0.761 10.176 ( -3.176 0.000 0.000) 3.176 11.064 ( -3.771 0.000 0.000) 3.771 11.196 ( 11.415 -0.000 0.000) 11.415 11.550 ( 11.378 -0.000 0.000) 11.378 11.728 ( -4.218 0.000 0.000) 4.218 12.074 ( 14.224 -0.000 0.000) 14.224 12.550 ( -2.713 0.000 0.000) 2.713 13.084 ( 7.957 -0.000 0.000) 7.957 13.518 ( 12.577 -0.000 0.000) 12.577 14.182 ( -8.260 0.000 0.000) 8.260 14.393 ( -10.143 0.000 0.000) 10.143 15.138 ( -7.288 0.000 0.000) 7.288 15.201 ( -9.518 0.000 0.000) 9.518 15.512 ( -10.006 0.000 0.000) 10.006 15.760 ( -2.022 0.000 0.000) 2.022 16.730 ( -8.613 0.000 0.000) 8.613 16.777 ( 0.595 -0.000 0.000) 0.595 18.519 ( 25.874 -0.000 0.000) 25.874 21.330 ( 1.371 -0.000 0.000) 1.371 24.779 ( 0.083 -0.000 0.000) 0.083 26.253 ( 0.259 -0.000 0.000) 0.259 27.160 ( 3.388 -0.000 0.000) 3.388 28.840 ( 9.342 -0.000 0.000) 9.342 30.371 ( -3.058 0.000 0.000) 3.058 33.457 ( -4.668 0.000 0.000) 4.668 ======================= Grid point 25 (18/216) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 31.634 -20.147 0.000) 37.505 2.377 ( 40.958 -18.512 0.000) 44.947 3.620 ( 54.375 -11.236 0.000) 55.524 5.661 ( -30.101 5.530 0.000) 30.604 6.538 ( 3.016 11.874 0.000) 12.251 6.845 ( 6.257 5.499 0.000) 8.330 7.570 ( -2.095 -7.869 0.000) 8.143 8.563 ( -13.254 15.847 0.000) 20.659 9.083 ( -18.025 10.531 0.000) 20.876 9.514 ( -12.664 -7.493 0.000) 14.714 9.772 ( -6.198 -0.547 0.000) 6.222 10.198 ( -2.695 -4.432 0.000) 5.187 10.930 ( 2.930 9.667 0.000) 10.102 11.350 ( 0.660 -3.002 0.000) 3.073 11.420 ( 6.113 9.939 0.000) 11.669 11.865 ( -2.206 -7.200 0.000) 7.530 12.259 ( 13.396 -5.438 0.000) 14.457 12.588 ( -2.774 -7.044 0.000) 7.571 13.152 ( 6.937 1.632 0.000) 7.126 13.542 ( 10.246 11.314 0.000) 15.264 14.140 ( -12.534 -6.690 0.000) 14.207 14.227 ( 4.030 11.526 0.000) 12.211 14.748 ( -7.601 21.498 0.000) 22.802 15.215 ( -6.776 -3.110 0.000) 7.456 15.393 ( -13.192 -10.371 0.000) 16.780 16.149 ( -5.158 -29.340 0.000) 29.790 16.421 ( -5.747 15.838 0.000) 16.849 17.002 ( -0.685 -14.582 0.000) 14.598 18.595 ( 23.190 16.462 0.000) 28.439 21.487 ( -1.891 -13.913 0.000) 14.041 24.778 ( 0.109 0.151 0.000) 0.186 26.282 ( 0.440 -2.503 0.000) 2.541 27.376 ( -1.999 -20.004 0.000) 20.103 28.947 ( 9.670 -1.313 0.000) 9.759 30.363 ( -3.873 -2.806 0.000) 4.782 33.210 ( 1.125 21.794 0.000) 21.823 ======================= Grid point 26 (19/216) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 22.580 -22.282 0.000) 31.723 3.143 ( 35.499 -26.799 0.000) 44.479 4.225 ( 27.609 -9.715 0.000) 29.268 5.222 ( -31.753 8.284 0.000) 32.816 6.371 ( 10.159 12.307 0.000) 15.959 6.835 ( 6.580 4.608 0.000) 8.033 7.598 ( 0.229 6.701 0.000) 6.705 8.205 ( -10.734 10.286 0.000) 14.867 8.722 ( -15.030 10.542 0.000) 18.359 9.584 ( -5.605 -10.119 0.000) 11.567 9.719 ( -7.048 -2.844 0.000) 7.601 10.247 ( -2.880 -4.293 0.000) 5.169 10.794 ( 3.974 10.598 0.000) 11.319 11.132 ( -9.489 11.152 0.000) 14.643 11.596 ( 11.589 -7.789 0.000) 13.963 11.888 ( -2.025 0.678 0.000) 2.135 12.453 ( 5.095 -5.093 0.000) 7.204 12.713 ( -2.013 -9.920 0.000) 10.122 13.141 ( 2.085 5.720 0.000) 6.088 13.355 ( 7.389 18.656 0.000) 20.066 13.896 ( 2.171 22.381 0.000) 22.486 14.281 ( -7.089 -14.334 0.000) 15.991 14.556 ( 1.280 -0.268 0.000) 1.308 15.166 ( -2.964 2.150 0.000) 3.662 15.497 ( -16.453 -16.401 0.000) 23.231 16.059 ( -6.872 16.324 0.000) 17.711 16.590 ( -2.372 -23.849 0.000) 23.966 17.234 ( -0.086 -13.011 0.000) 13.011 18.482 ( 17.133 18.682 0.000) 25.349 21.682 ( -2.460 -11.023 0.000) 11.294 24.777 ( 0.110 0.005 0.000) 0.110 26.335 ( 1.157 -2.602 0.000) 2.847 27.719 ( -4.958 -23.714 0.000) 24.226 29.058 ( 8.314 -1.141 0.000) 8.392 30.382 ( -5.495 -4.656 0.000) 7.203 32.833 ( 5.927 25.735 0.000) 26.409 ======================= Grid point 27 (20/216) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 10.142 -14.459 0.000) 17.661 3.925 ( 30.236 -26.366 0.000) 40.117 4.452 ( 0.497 -6.049 0.000) 6.070 4.833 ( -25.010 5.775 0.000) 25.668 6.326 ( 8.485 6.830 0.000) 10.893 6.832 ( 14.355 5.300 0.000) 15.302 7.317 ( -1.239 23.806 0.000) 23.838 7.978 ( -0.817 13.549 0.000) 13.574 8.529 ( -17.837 -8.281 0.000) 19.665 9.695 ( -1.953 -6.618 0.000) 6.900 9.804 ( -2.263 -13.054 0.000) 13.249 10.289 ( -0.798 -3.021 0.000) 3.124 10.646 ( 1.675 10.421 0.000) 10.554 10.878 ( -6.748 7.801 0.000) 10.314 11.716 ( -0.747 4.846 0.000) 4.903 11.925 ( 8.084 -4.869 0.000) 9.437 12.490 ( -3.780 2.023 0.000) 4.288 12.857 ( -4.809 -9.592 0.000) 10.729 12.956 ( 5.611 15.734 0.000) 16.704 13.189 ( 4.617 7.835 0.000) 9.094 13.629 ( 3.648 11.593 0.000) 12.153 14.453 ( -9.830 -12.560 0.000) 15.949 14.631 ( 3.868 -4.702 0.000) 6.089 15.108 ( 3.482 4.927 0.000) 6.033 15.542 ( -7.102 2.822 0.000) 7.642 15.807 ( -16.792 -6.626 0.000) 18.052 16.916 ( 4.063 -13.364 0.000) 13.968 17.430 ( -1.662 -10.945 0.000) 11.070 18.326 ( 10.210 14.749 0.000) 17.938 21.811 ( -1.389 -6.704 0.000) 6.846 24.780 ( 0.101 -0.150 0.000) 0.181 26.386 ( 1.595 -1.722 0.000) 2.348 28.071 ( -3.065 -22.376 0.000) 22.585 29.140 ( 6.375 -0.193 0.000) 6.377 30.407 ( -7.922 -5.750 0.000) 9.789 32.468 ( 7.191 24.935 0.000) 25.951 ======================= Grid point 28 (21/216) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -1.109 -5.896 0.000) 5.999 4.476 ( -20.842 7.181 0.000) 22.045 4.508 ( 13.684 -9.233 0.000) 16.508 4.707 ( 8.066 -22.737 0.000) 24.125 6.218 ( -6.649 7.100 0.000) 9.727 6.899 ( 3.919 19.064 0.000) 19.462 6.935 ( 16.531 6.961 0.000) 17.937 7.659 ( -0.305 22.641 0.000) 22.643 8.639 ( -14.013 -20.688 0.000) 24.987 9.805 ( -2.154 -8.895 0.000) 9.152 10.049 ( 4.936 -12.471 0.000) 13.412 10.341 ( 8.178 2.304 0.000) 8.496 10.488 ( -6.462 2.579 0.000) 6.958 10.777 ( 0.240 0.368 0.000) 0.440 11.539 ( -9.134 8.570 0.000) 12.525 11.963 ( 6.765 13.229 0.000) 14.859 12.450 ( -0.291 -6.130 0.000) 6.137 12.815 ( 7.257 8.832 0.000) 11.431 12.947 ( -6.353 -5.728 0.000) 8.554 13.113 ( 0.114 4.263 0.000) 4.265 13.555 ( 6.842 4.098 0.000) 7.975 14.443 ( -16.291 -2.506 0.000) 16.483 14.793 ( 4.615 -7.050 0.000) 8.426 15.010 ( 4.946 13.251 0.000) 14.144 15.390 ( -2.643 1.790 0.000) 3.192 15.920 ( -14.137 -19.595 0.000) 24.162 17.118 ( 9.496 -2.988 0.000) 9.955 17.563 ( -4.272 -7.865 0.000) 8.950 18.196 ( 4.684 9.073 0.000) 10.211 21.891 ( -0.330 -3.905 0.000) 3.919 24.784 ( 0.099 -0.197 0.000) 0.221 26.419 ( 1.434 -0.299 0.000) 1.464 28.410 ( 0.764 -18.726 0.000) 18.742 29.194 ( 5.395 0.153 0.000) 5.397 30.419 ( -10.966 -6.383 0.000) 12.688 32.128 ( 6.335 23.122 0.000) 23.974 ======================= Grid point 29 (22/216) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( -1.956 5.265 0.000) 5.617 4.205 ( -18.455 -7.625 0.000) 19.968 4.607 ( 5.814 13.347 0.000) 14.559 5.163 ( 7.750 -17.976 0.000) 19.575 6.007 ( -8.341 5.069 0.000) 9.760 6.699 ( 4.146 17.157 0.000) 17.651 6.927 ( 11.611 7.518 0.000) 13.832 7.358 ( -2.335 4.338 0.000) 4.927 8.885 ( -8.058 -19.691 0.000) 21.276 9.942 ( -0.579 -8.106 0.000) 8.127 10.133 ( 0.021 11.508 0.000) 11.508 10.380 ( 18.101 -0.994 0.000) 18.128 10.610 ( -3.680 -19.429 0.000) 19.774 10.855 ( 3.012 -7.001 0.000) 7.621 11.282 ( -14.106 7.564 0.000) 16.006 11.741 ( 3.738 15.272 0.000) 15.723 12.631 ( 5.584 -7.974 0.000) 9.735 12.717 ( 5.571 9.571 0.000) 11.075 12.952 ( -5.801 -1.785 0.000) 6.070 13.047 ( -4.836 0.382 0.000) 4.851 13.584 ( 8.974 2.745 0.000) 9.384 14.280 ( -17.058 1.412 0.000) 17.116 14.689 ( 0.115 17.114 0.000) 17.114 15.028 ( 2.503 -8.550 0.000) 8.909 15.427 ( 1.678 -4.049 0.000) 4.383 16.144 ( -7.611 -18.903 0.000) 20.378 17.220 ( 12.110 2.695 0.000) 12.406 17.603 ( -6.468 -2.730 0.000) 7.021 18.105 ( 1.452 5.485 0.000) 5.674 21.944 ( 0.386 -2.498 0.000) 2.528 24.788 ( 0.099 -0.135 0.000) 0.168 26.422 ( 0.833 1.179 0.000) 1.443 28.696 ( 3.092 -11.606 0.000) 12.011 29.270 ( 8.012 -2.843 0.000) 8.502 30.406 ( -14.376 -6.514 0.000) 15.783 31.804 ( 4.035 21.166 0.000) 21.547 ======================= Grid point 30 (23/216) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -6.927 26.054 0.000) 26.960 4.160 ( -0.031 36.588 0.000) 36.588 4.501 ( -3.569 -31.826 0.000) 32.026 5.281 ( -2.256 16.312 0.000) 16.467 5.985 ( 1.640 -7.057 0.000) 7.245 6.408 ( 2.970 7.732 0.000) 8.283 6.909 ( -0.110 5.360 0.000) 5.361 7.554 ( 2.360 -23.956 0.000) 24.072 9.133 ( -1.637 -15.158 0.000) 15.246 9.867 ( -3.012 15.074 0.000) 15.372 10.035 ( 0.543 -1.665 0.000) 1.751 10.599 ( 21.438 -0.511 0.000) 21.444 10.959 ( -0.512 -14.898 0.000) 14.907 11.019 ( -14.801 -11.799 0.000) 18.928 11.066 ( -0.175 -3.915 0.000) 3.919 11.561 ( 1.829 8.998 0.000) 9.182 12.559 ( 1.377 8.581 0.000) 8.691 12.844 ( 6.352 -6.300 0.000) 8.947 12.871 ( -2.543 5.944 0.000) 6.465 13.033 ( -6.168 -4.711 0.000) 7.762 13.595 ( 6.543 6.054 0.000) 8.914 14.107 ( -11.288 1.459 0.000) 11.382 14.427 ( -1.881 11.364 0.000) 11.519 15.187 ( 1.523 -7.413 0.000) 7.568 15.514 ( 1.119 -4.079 0.000) 4.230 16.394 ( -2.510 -15.824 0.000) 16.022 17.282 ( 12.418 3.537 0.000) 12.912 17.523 ( -8.476 3.634 0.000) 9.222 18.026 ( 0.017 5.076 0.000) 5.076 21.987 ( 0.640 -2.015 0.000) 2.114 24.790 ( 0.079 -0.008 0.000) 0.079 26.398 ( 0.216 2.165 0.000) 2.176 28.830 ( 1.274 -1.998 0.000) 2.370 29.488 ( 15.019 -9.792 0.000) 17.929 30.355 ( -17.008 -5.282 0.000) 17.810 31.487 ( 1.040 19.284 0.000) 19.312 ======================= Grid point 31 (24/216) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 0.000 32.854 0.000) 32.854 3.437 ( 0.000 46.069 0.000) 46.069 4.599 ( 0.000 53.757 0.000) 53.757 5.086 ( -0.000 -34.820 0.000) 34.820 6.228 ( -0.000 -16.593 0.000) 16.593 6.529 ( -0.000 -13.301 0.000) 13.301 6.812 ( 0.000 2.184 0.000) 2.184 8.046 ( -0.000 -29.618 0.000) 29.618 9.352 ( -0.000 -9.875 0.000) 9.875 9.630 ( 0.000 8.108 0.000) 8.108 10.006 ( 0.000 4.735 0.000) 4.735 10.770 ( 0.000 2.851 0.000) 2.851 10.792 ( 0.000 2.843 0.000) 2.843 11.271 ( -0.000 -13.169 0.000) 13.169 11.326 ( -0.000 -15.120 0.000) 15.120 11.458 ( 0.000 4.997 0.000) 4.997 12.519 ( -0.000 -5.860 0.000) 5.860 12.722 ( 0.000 9.697 0.000) 9.697 12.944 ( -0.000 -0.830 0.000) 0.830 13.082 ( -0.000 -4.792 0.000) 4.792 13.488 ( 0.000 9.754 0.000) 9.754 14.041 ( -0.000 -0.018 0.000) 0.018 14.305 ( 0.000 1.302 0.000) 1.302 15.301 ( -0.000 -5.162 0.000) 5.162 15.580 ( -0.000 -3.111 0.000) 3.111 16.610 ( -0.000 -10.551 0.000) 10.551 17.302 ( 0.000 12.998 0.000) 12.998 17.360 ( -0.000 -0.899 0.000) 0.899 17.931 ( 0.000 6.069 0.000) 6.069 22.024 ( -0.000 -1.974 0.000) 1.974 24.789 ( 0.000 0.136 0.000) 0.136 26.359 ( 0.000 2.362 0.000) 2.362 28.823 ( 0.000 2.525 0.000) 2.525 29.822 ( -0.000 -14.390 0.000) 14.390 30.287 ( -0.000 -1.680 0.000) 1.680 31.177 ( 0.000 17.283 0.000) 17.283 ======================= Grid point 36 (25/216) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 35.019 -0.000 0.000) 35.019 2.634 ( 42.442 -0.000 0.000) 42.442 4.050 ( 48.438 -0.000 0.000) 48.438 5.389 ( -35.498 0.000 0.000) 35.498 6.665 ( 4.483 -0.000 0.000) 4.483 7.017 ( 8.202 -0.000 0.000) 8.202 7.383 ( -7.830 0.000 0.000) 7.830 8.670 ( -5.606 0.000 0.000) 5.606 8.919 ( -21.037 0.000 0.000) 21.037 9.342 ( -11.935 0.000 0.000) 11.935 9.689 ( -8.688 0.000 0.000) 8.688 10.174 ( 2.897 -0.000 0.000) 2.897 11.008 ( -2.051 0.000 0.000) 2.051 11.384 ( 7.985 -0.000 0.000) 7.985 11.592 ( -9.873 0.000 0.000) 9.873 11.703 ( 5.053 -0.000 0.000) 5.053 12.372 ( 15.534 -0.000 0.000) 15.534 12.493 ( -3.052 0.000 0.000) 3.052 13.267 ( 10.792 -0.000 0.000) 10.792 13.770 ( 12.715 -0.000 0.000) 12.715 13.905 ( -16.216 0.000 0.000) 16.216 14.312 ( -0.948 0.000 0.000) 0.948 14.953 ( -12.131 0.000 0.000) 12.131 15.004 ( -10.226 0.000 0.000) 10.226 15.287 ( -12.259 0.000 0.000) 12.259 15.721 ( -1.924 0.000 0.000) 1.924 16.617 ( -3.580 0.000 0.000) 3.580 16.798 ( 1.474 -0.000 0.000) 1.474 18.976 ( 20.821 -0.000 0.000) 20.821 21.356 ( 1.232 -0.000 0.000) 1.232 24.780 ( 0.097 -0.000 0.000) 0.097 26.259 ( 0.332 -0.000 0.000) 0.332 27.234 ( 4.101 -0.000 0.000) 4.101 29.037 ( 10.457 -0.000 0.000) 10.457 30.305 ( -3.531 0.000 0.000) 3.531 33.356 ( -5.460 0.000 0.000) 5.460 ======================= Grid point 37 (26/216) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 29.332 -11.588 0.000) 31.538 3.156 ( 38.668 -13.975 0.000) 41.116 4.442 ( 27.317 1.288 0.000) 27.348 5.002 ( -34.484 3.385 0.000) 34.649 6.619 ( 3.777 8.622 0.000) 9.413 7.029 ( 12.382 5.388 0.000) 13.504 7.452 ( -7.992 -11.143 0.000) 13.712 8.395 ( -4.660 17.885 0.000) 18.482 8.777 ( -12.292 5.971 0.000) 13.666 9.299 ( -9.793 -10.107 0.000) 14.073 9.611 ( -9.864 -1.551 0.000) 9.985 10.220 ( 4.206 -0.849 0.000) 4.291 10.956 ( -0.258 4.581 0.000) 4.588 11.273 ( -5.006 13.681 0.000) 14.568 11.567 ( 4.944 -5.809 0.000) 7.628 11.809 ( -2.412 -4.944 0.000) 5.501 12.481 ( 4.367 -1.061 0.000) 4.494 12.561 ( 4.497 -5.676 0.000) 7.242 13.291 ( 6.710 7.418 0.000) 10.002 13.728 ( 8.592 15.251 0.000) 17.505 13.914 ( -9.026 -14.638 0.000) 17.197 14.288 ( 2.192 11.744 0.000) 11.946 14.604 ( -6.352 12.770 0.000) 14.263 14.962 ( -18.192 -11.879 0.000) 21.726 15.212 ( -6.030 -2.451 0.000) 6.510 16.058 ( -3.877 -31.245 0.000) 31.485 16.351 ( -2.008 19.507 0.000) 19.610 17.007 ( 0.796 -14.353 0.000) 14.375 18.989 ( 17.015 18.168 0.000) 24.892 21.473 ( -0.023 -10.735 0.000) 10.735 24.780 ( 0.116 0.128 0.000) 0.172 26.291 ( 0.504 -3.014 0.000) 3.056 27.387 ( 2.116 -13.086 0.000) 13.256 29.136 ( 9.293 -0.042 0.000) 9.293 30.286 ( -3.861 -1.681 0.000) 4.211 33.185 ( -2.717 13.612 0.000) 13.880 ======================= Grid point 38 (27/216) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 17.611 -10.613 0.000) 20.561 3.812 ( 32.288 -21.621 0.000) 38.859 4.422 ( -11.740 4.654 0.000) 12.628 4.729 ( -11.097 4.343 0.000) 11.917 6.500 ( -0.755 8.486 0.000) 8.519 7.084 ( 18.428 5.930 0.000) 19.359 7.532 ( -2.472 -2.802 0.000) 3.737 8.076 ( -5.625 12.171 0.000) 13.408 8.488 ( -8.374 13.785 0.000) 16.130 9.464 ( -6.248 -16.551 0.000) 17.691 9.580 ( -6.904 -5.581 0.000) 8.877 10.277 ( 4.348 -0.930 0.000) 4.446 10.848 ( 0.336 7.724 0.000) 7.731 11.002 ( -1.142 13.345 0.000) 13.393 11.693 ( -6.567 -2.790 0.000) 7.135 11.877 ( 5.656 -7.360 0.000) 9.282 12.524 ( 1.837 0.758 0.000) 1.987 12.674 ( -1.909 -5.340 0.000) 5.670 13.188 ( 2.816 9.175 0.000) 9.598 13.513 ( 8.675 18.549 0.000) 20.477 13.910 ( -0.982 20.452 0.000) 20.476 14.123 ( -6.627 -15.409 0.000) 16.774 14.579 ( -0.296 -3.535 0.000) 3.548 15.050 ( -10.670 -14.534 0.000) 18.030 15.237 ( -6.764 -8.400 0.000) 10.785 15.975 ( -2.427 21.920 0.000) 22.054 16.555 ( -1.335 -28.928 0.000) 28.959 17.237 ( 0.243 -11.713 0.000) 11.715 18.766 ( 11.579 22.856 0.000) 25.622 21.656 ( -0.581 -10.258 0.000) 10.275 24.780 ( 0.120 0.020 0.000) 0.121 26.356 ( 0.946 -3.353 0.000) 3.484 27.686 ( 0.345 -20.127 0.000) 20.130 29.211 ( 6.965 0.628 0.000) 6.993 30.279 ( -4.797 -2.353 0.000) 5.344 32.889 ( 0.785 19.495 0.000) 19.511 ======================= Grid point 39 (28/216) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( -0.506 -2.298 0.000) 2.353 4.390 ( -3.863 -10.945 0.000) 11.606 4.431 ( 5.716 -9.661 0.000) 11.226 4.529 ( 8.154 -2.259 0.000) 8.462 6.282 ( -9.873 10.160 0.000) 14.167 7.166 ( 15.155 5.476 0.000) 16.114 7.345 ( 4.896 24.835 0.000) 25.313 7.996 ( 0.933 3.828 0.000) 3.940 8.214 ( -13.235 -1.976 0.000) 13.381 9.619 ( -4.156 -9.153 0.000) 10.053 9.766 ( -1.767 -19.488 0.000) 19.568 10.335 ( 2.443 -1.910 0.000) 3.101 10.712 ( 3.681 10.911 0.000) 11.516 10.841 ( 6.246 7.255 0.000) 9.573 11.536 ( -15.725 5.778 0.000) 16.753 12.124 ( 10.063 -7.857 0.000) 12.767 12.428 ( -2.833 8.843 0.000) 9.285 12.726 ( -6.626 -7.109 0.000) 9.718 13.081 ( 5.770 7.820 0.000) 9.719 13.287 ( 4.407 15.545 0.000) 16.158 13.706 ( 4.902 6.569 0.000) 8.196 14.222 ( -12.337 -5.879 0.000) 13.666 14.676 ( 0.859 -8.655 0.000) 8.697 15.189 ( 3.822 -3.807 0.000) 5.395 15.374 ( -8.622 -13.103 0.000) 15.685 15.597 ( -5.464 13.573 0.000) 14.631 16.983 ( 2.652 -20.475 0.000) 20.646 17.397 ( -1.548 -7.709 0.000) 7.863 18.488 ( 5.970 19.018 0.000) 19.933 21.797 ( -0.320 -6.925 0.000) 6.932 24.782 ( 0.094 -0.131 0.000) 0.161 26.413 ( 1.041 -2.023 0.000) 2.275 28.056 ( 0.544 -22.599 0.000) 22.605 29.252 ( 4.624 0.905 0.000) 4.712 30.268 ( -5.763 -2.312 0.000) 6.210 32.554 ( 2.371 21.645 0.000) 21.775 ======================= Grid point 40 (29/216) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( -2.490 -8.536 0.000) 8.892 4.133 ( -9.363 14.055 0.000) 16.888 4.667 ( 2.881 -13.128 0.000) 13.440 4.983 ( 12.482 -14.665 0.000) 19.258 6.022 ( -9.188 7.781 0.000) 12.040 6.980 ( 3.614 18.320 0.000) 18.673 7.161 ( 5.257 7.791 0.000) 9.399 7.663 ( 0.265 26.546 0.000) 26.547 8.436 ( -5.817 -23.961 0.000) 24.657 9.765 ( -1.182 -10.896 0.000) 10.960 10.113 ( 2.096 -20.593 0.000) 20.700 10.348 ( -4.112 2.238 0.000) 4.681 10.601 ( 8.532 5.523 0.000) 10.163 10.867 ( 12.768 1.976 0.000) 12.920 11.242 ( -19.758 7.292 0.000) 21.061 12.061 ( 2.692 18.002 0.000) 18.202 12.486 ( 2.585 -12.974 0.000) 13.229 12.795 ( -4.537 -7.219 0.000) 8.526 12.986 ( 6.334 12.658 0.000) 14.154 13.089 ( -2.904 7.333 0.000) 7.887 13.718 ( 8.918 2.078 0.000) 9.157 14.131 ( -13.379 -0.402 0.000) 13.385 14.854 ( 1.590 -8.719 0.000) 8.863 15.074 ( 1.449 20.365 0.000) 20.416 15.358 ( -0.687 -4.495 0.000) 4.547 15.730 ( -5.037 -21.866 0.000) 22.439 17.286 ( 7.240 -9.343 0.000) 11.820 17.462 ( -5.521 -4.203 0.000) 6.938 18.262 ( 1.862 11.794 0.000) 11.941 21.889 ( 0.006 -4.325 0.000) 4.325 24.785 ( 0.053 -0.196 0.000) 0.203 26.440 ( 0.599 -0.163 0.000) 0.620 28.437 ( 1.175 -20.569 0.000) 20.603 29.285 ( 3.064 -1.042 0.000) 3.237 30.247 ( -5.426 -1.769 0.000) 5.707 32.204 ( 1.848 22.123 0.000) 22.200 ======================= Grid point 41 (30/216) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 0.000 10.043 0.000) 10.043 4.016 ( -0.000 -14.550 0.000) 14.550 4.667 ( 0.000 18.185 0.000) 18.185 5.259 ( -0.000 -12.435 0.000) 12.435 5.908 ( -0.000 -0.253 0.000) 0.253 6.741 ( 0.000 19.248 0.000) 19.248 7.044 ( 0.000 8.364 0.000) 8.364 7.331 ( 0.000 3.432 0.000) 3.432 8.800 ( -0.000 -21.547 0.000) 21.547 9.937 ( -0.000 -9.087 0.000) 9.087 10.134 ( 0.000 15.675 0.000) 15.675 10.532 ( -0.000 -25.047 0.000) 25.047 10.689 ( -0.000 -6.375 0.000) 6.375 10.946 ( 0.000 6.379 0.000) 6.379 10.993 ( -0.000 -1.330 0.000) 1.330 11.781 ( 0.000 15.462 0.000) 15.462 12.719 ( -0.000 -11.385 0.000) 11.385 12.769 ( 0.000 13.513 0.000) 13.513 12.892 ( -0.000 -6.002 0.000) 6.002 12.975 ( 0.000 5.643 0.000) 5.643 13.727 ( 0.000 4.089 0.000) 4.089 14.052 ( 0.000 0.208 0.000) 0.208 14.688 ( 0.000 19.285 0.000) 19.285 15.053 ( -0.000 -8.935 0.000) 8.935 15.443 ( -0.000 -4.895 0.000) 4.895 16.071 ( -0.000 -20.344 0.000) 20.344 17.401 ( 0.000 2.431 0.000) 2.431 17.477 ( -0.000 -3.654 0.000) 3.654 18.121 ( 0.000 6.479 0.000) 6.479 21.948 ( -0.000 -2.837 0.000) 2.837 24.789 ( -0.000 -0.149 0.000) 0.149 26.431 ( 0.000 1.414 0.000) 1.414 28.729 ( -0.000 -11.783 0.000) 11.783 29.375 ( -0.000 -8.131 0.000) 8.131 30.237 ( -0.000 -1.205 0.000) 1.205 31.843 ( 0.000 21.523 0.000) 21.523 ======================= Grid point 48 (31/216) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 30.771 -0.000 0.000) 30.771 3.409 ( 36.678 -0.000 0.000) 36.678 4.669 ( -36.877 0.000 0.000) 36.877 4.712 ( 19.034 -0.000 0.000) 19.034 6.700 ( -4.445 0.000 0.000) 4.445 7.121 ( 1.618 -0.000 0.000) 1.618 7.373 ( 11.636 -0.000 0.000) 11.636 8.601 ( -3.319 0.000 0.000) 3.319 8.629 ( -8.209 0.000 0.000) 8.209 9.125 ( -10.286 0.000 0.000) 10.286 9.492 ( -10.054 0.000 0.000) 10.054 10.265 ( 5.565 -0.000 0.000) 5.565 10.969 ( -2.615 0.000 0.000) 2.615 11.369 ( -11.680 0.000 0.000) 11.680 11.509 ( 4.928 -0.000 0.000) 4.928 11.769 ( 2.216 -0.000 0.000) 2.216 12.438 ( -2.526 0.000 0.000) 2.526 12.644 ( 11.797 -0.000 0.000) 11.797 13.496 ( 12.708 -0.000 0.000) 12.708 13.641 ( -10.242 0.000 0.000) 10.242 13.988 ( 9.110 -0.000 0.000) 9.110 14.306 ( -0.030 0.000 0.000) 0.030 14.667 ( -16.525 0.000 0.000) 16.525 14.824 ( -7.879 0.000 0.000) 7.879 15.073 ( -9.354 0.000 0.000) 9.354 15.688 ( -1.329 0.000 0.000) 1.329 16.573 ( -1.273 0.000 0.000) 1.273 16.828 ( 1.423 -0.000 0.000) 1.423 19.311 ( 13.405 -0.000 0.000) 13.405 21.376 ( 0.765 -0.000 0.000) 0.765 24.782 ( 0.080 -0.000 0.000) 0.080 26.265 ( 0.299 -0.000 0.000) 0.299 27.310 ( 3.432 -0.000 0.000) 3.432 29.224 ( 8.250 -0.000 0.000) 8.250 30.241 ( -2.862 0.000 0.000) 2.862 33.257 ( -4.493 0.000 0.000) 4.493 ======================= Grid point 49 (32/216) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 25.344 -3.765 0.000) 25.622 3.836 ( 29.797 -11.265 0.000) 31.855 4.281 ( -30.348 3.813 0.000) 30.586 4.788 ( 2.194 4.759 0.000) 5.241 6.583 ( -6.901 5.671 0.000) 8.933 7.223 ( 1.250 -9.606 0.000) 9.687 7.480 ( 16.301 4.239 0.000) 16.844 8.336 ( -2.234 17.424 0.000) 17.566 8.603 ( -6.878 5.950 0.000) 9.094 9.137 ( -6.496 -12.609 0.000) 14.184 9.436 ( -6.871 -3.269 0.000) 7.608 10.315 ( 4.448 0.010 0.000) 4.448 10.911 ( -3.922 3.152 0.000) 5.031 11.209 ( -0.936 7.413 0.000) 7.472 11.570 ( -3.237 -2.578 0.000) 4.139 11.816 ( 2.393 -3.914 0.000) 4.588 12.458 ( -2.116 -4.474 0.000) 4.950 12.718 ( 6.836 2.947 0.000) 7.445 13.381 ( 2.134 10.891 0.000) 11.099 13.804 ( 0.207 -5.198 0.000) 5.202 13.908 ( 7.856 5.464 0.000) 9.569 14.305 ( -0.384 23.591 0.000) 23.594 14.513 ( -4.722 0.506 0.000) 4.749 14.605 ( -15.298 -15.871 0.000) 22.043 15.114 ( -3.994 -5.428 0.000) 6.739 16.003 ( -1.825 -30.954 0.000) 31.007 16.329 ( -0.522 20.194 0.000) 20.201 17.023 ( 0.661 -13.972 0.000) 13.988 19.243 ( 8.919 19.021 0.000) 21.008 21.476 ( 0.215 -9.638 0.000) 9.640 24.782 ( 0.072 0.095 0.000) 0.119 26.300 ( 0.339 -3.395 0.000) 3.412 27.431 ( 1.994 -10.823 0.000) 11.005 29.287 ( 5.758 0.745 0.000) 5.806 30.222 ( -2.476 -0.605 0.000) 2.549 33.131 ( -2.327 10.096 0.000) 10.360 ======================= Grid point 50 (33/216) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( 7.181 6.718 0.000) 9.833 4.106 ( -10.719 -11.817 0.000) 15.955 4.331 ( 18.162 -17.423 0.000) 25.168 4.630 ( -4.797 10.380 0.000) 11.435 6.374 ( -7.212 10.490 0.000) 12.730 7.385 ( 7.958 0.913 0.000) 8.011 7.608 ( 8.496 -8.289 0.000) 11.869 7.945 ( -6.238 22.641 0.000) 23.484 8.379 ( -3.515 13.168 0.000) 13.629 9.371 ( -2.716 -17.621 0.000) 17.829 9.482 ( -2.676 -8.690 0.000) 9.093 10.343 ( 1.647 0.224 0.000) 1.663 10.818 ( -1.299 4.152 0.000) 4.351 11.118 ( 10.077 8.751 0.000) 13.346 11.470 ( -12.820 4.980 0.000) 13.754 11.988 ( 3.581 -12.141 0.000) 12.658 12.525 ( -0.873 -4.009 0.000) 4.103 12.652 ( -0.312 8.078 0.000) 8.084 13.239 ( 1.795 7.845 0.000) 8.048 13.676 ( 7.301 20.335 0.000) 21.605 13.842 ( -5.193 8.806 0.000) 10.223 14.075 ( 0.618 -1.575 0.000) 1.692 14.518 ( -4.460 -8.059 0.000) 9.211 14.887 ( -3.809 -22.827 0.000) 23.143 15.175 ( -1.329 -5.167 0.000) 5.335 15.949 ( -0.502 23.575 0.000) 23.580 16.538 ( -0.434 -31.330 0.000) 31.333 17.240 ( 0.115 -10.795 0.000) 10.795 18.919 ( 4.037 24.596 0.000) 24.925 21.651 ( -0.062 -9.908 0.000) 9.908 24.781 ( 0.049 0.009 0.000) 0.050 26.369 ( 0.366 -3.821 0.000) 3.838 27.700 ( 0.660 -18.993 0.000) 19.005 29.309 ( 2.783 1.391 0.000) 3.111 30.210 ( -1.989 -0.579 0.000) 2.071 32.890 ( -0.165 16.556 0.000) 16.557 ======================= Grid point 51 (34/216) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 0.000 2.650 0.000) 2.650 4.361 ( 0.000 15.518 0.000) 15.518 4.367 ( -0.000 -19.955 0.000) 19.955 4.765 ( -0.000 -19.778 0.000) 19.778 6.138 ( 0.000 11.499 0.000) 11.499 7.327 ( 0.000 8.236 0.000) 8.236 7.415 ( 0.000 28.969 0.000) 28.969 7.992 ( -0.000 -24.012 0.000) 24.012 8.080 ( 0.000 20.857 0.000) 20.857 9.574 ( -0.000 -10.437 0.000) 10.437 9.748 ( -0.000 -21.134 0.000) 21.134 10.349 ( -0.000 -0.245 0.000) 0.245 10.732 ( 0.000 5.895 0.000) 5.895 11.086 ( 0.000 6.260 0.000) 6.260 11.226 ( 0.000 9.613 0.000) 9.613 12.249 ( -0.000 -15.194 0.000) 15.194 12.382 ( 0.000 16.893 0.000) 16.893 12.653 ( -0.000 -6.631 0.000) 6.631 13.144 ( 0.000 5.170 0.000) 5.170 13.330 ( 0.000 19.991 0.000) 19.991 13.789 ( 0.000 0.773 0.000) 0.773 14.061 ( 0.000 0.602 0.000) 0.602 14.680 ( -0.000 -11.301 0.000) 11.301 15.250 ( -0.000 -18.732 0.000) 18.732 15.261 ( -0.000 -5.595 0.000) 5.595 15.550 ( 0.000 19.808 0.000) 19.808 17.011 ( -0.000 -23.871 0.000) 23.871 17.380 ( -0.000 -5.550 0.000) 5.550 18.547 ( 0.000 20.351 0.000) 20.351 21.794 ( -0.000 -6.974 0.000) 6.974 24.783 ( -0.000 -0.130 0.000) 0.130 26.423 ( -0.000 -2.167 0.000) 2.167 28.065 ( -0.000 -22.857 0.000) 22.857 29.300 ( 0.000 0.991 0.000) 0.991 30.208 ( -0.000 -0.564 0.000) 0.564 32.575 ( 0.000 20.440 0.000) 20.440 ======================= Grid point 61 (35/216) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 27.763 -0.000 0.000) 27.763 3.989 ( 19.706 -0.000 0.000) 19.706 4.008 ( -30.871 0.000 0.000) 30.871 4.840 ( -1.866 0.000 0.000) 1.866 6.569 ( -5.144 0.000 0.000) 5.144 7.105 ( -1.588 0.000 0.000) 1.588 7.722 ( 16.582 -0.000 0.000) 16.582 8.488 ( -7.334 0.000 0.000) 7.334 8.574 ( 0.520 -0.000 0.000) 0.520 8.963 ( -5.387 0.000 0.000) 5.387 9.356 ( -3.323 0.000 0.000) 3.323 10.352 ( 2.674 -0.000 0.000) 2.674 10.897 ( -3.564 0.000 0.000) 3.564 11.211 ( -3.788 0.000 0.000) 3.788 11.573 ( 1.667 -0.000 0.000) 1.667 11.797 ( 0.760 -0.000 0.000) 0.760 12.402 ( -1.009 0.000 0.000) 1.009 12.807 ( 4.555 -0.000 0.000) 4.555 13.512 ( -3.180 0.000 0.000) 3.180 13.742 ( 11.034 -0.000 0.000) 11.034 14.076 ( -1.488 0.000 0.000) 1.488 14.306 ( 0.040 -0.000 0.000) 0.040 14.396 ( -8.005 0.000 0.000) 8.005 14.716 ( -2.974 0.000 0.000) 2.974 14.939 ( -3.977 0.000 0.000) 3.977 15.671 ( -0.471 0.000 0.000) 0.471 16.559 ( -0.299 0.000 0.000) 0.299 16.848 ( 0.566 -0.000 0.000) 0.566 19.487 ( 4.621 -0.000 0.000) 4.621 21.386 ( 0.248 -0.000 0.000) 0.248 24.783 ( 0.031 -0.000 0.000) 0.031 26.269 ( 0.123 -0.000 0.000) 0.123 27.358 ( 1.349 -0.000 0.000) 1.349 29.338 ( 3.148 -0.000 0.000) 3.148 30.201 ( -1.108 0.000 0.000) 1.108 33.194 ( -1.760 0.000 0.000) 1.760 ======================= Grid point 62 (36/216) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 0.000 9.800 0.000) 9.800 3.830 ( -0.000 -9.317 0.000) 9.317 4.182 ( -0.000 -10.549 0.000) 10.549 4.761 ( 0.000 7.186 0.000) 7.186 6.487 ( 0.000 6.431 0.000) 6.431 7.216 ( -0.000 -13.044 0.000) 13.044 7.725 ( 0.000 8.341 0.000) 8.341 8.302 ( 0.000 16.912 0.000) 16.912 8.517 ( 0.000 6.466 0.000) 6.466 9.069 ( -0.000 -14.287 0.000) 14.287 9.370 ( -0.000 -3.527 0.000) 3.527 10.361 ( 0.000 0.513 0.000) 0.513 10.861 ( 0.000 2.061 0.000) 2.061 11.211 ( -0.000 -0.985 0.000) 0.985 11.525 ( 0.000 6.247 0.000) 6.247 11.846 ( -0.000 -5.797 0.000) 5.797 12.435 ( -0.000 -4.179 0.000) 4.179 12.786 ( 0.000 5.241 0.000) 5.241 13.394 ( 0.000 9.226 0.000) 9.226 13.820 ( -0.000 -0.115 0.000) 0.115 14.033 ( 0.000 4.412 0.000) 4.412 14.296 ( 0.000 28.411 0.000) 28.411 14.346 ( -0.000 -6.211 0.000) 6.211 14.526 ( -0.000 -16.628 0.000) 16.628 15.072 ( -0.000 -6.925 0.000) 6.925 15.986 ( -0.000 -30.806 0.000) 30.806 16.324 ( 0.000 20.319 0.000) 20.319 17.029 ( -0.000 -13.800 0.000) 13.800 19.330 ( 0.000 19.310 0.000) 19.310 21.478 ( -0.000 -9.391 0.000) 9.391 24.783 ( 0.000 0.082 0.000) 0.082 26.303 ( -0.000 -3.538 0.000) 3.538 27.452 ( -0.000 -10.309 0.000) 10.309 29.345 ( 0.000 0.983 0.000) 0.983 30.197 ( -0.000 -0.129 0.000) 0.129 33.107 ( 0.000 9.066 0.000) 9.066 ======================= Grid point 125 (37/216) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 0.000 45.299) 45.299 1.023 ( 0.000 0.000 51.960) 51.960 1.582 ( 0.000 0.000 79.659) 79.659 5.966 ( 0.000 0.000 -10.790) 10.790 6.665 ( 0.000 0.000 -3.372) 3.372 6.831 ( 0.000 0.000 -19.654) 19.654 7.104 ( 0.000 0.000 -29.015) 29.015 9.380 ( 0.000 0.000 -11.720) 11.720 9.832 ( 0.000 0.000 -28.969) 28.969 9.864 ( 0.000 0.000 -15.142) 15.142 9.876 ( 0.000 0.000 -14.680) 14.680 10.651 ( 0.000 0.000 17.639) 17.639 10.765 ( 0.000 0.000 -1.269) 1.269 11.033 ( 0.000 0.000 25.151) 25.151 11.046 ( 0.000 0.000 4.075) 4.075 11.872 ( 0.000 0.000 8.991) 8.991 12.088 ( 0.000 0.000 -6.749) 6.749 13.138 ( 0.000 0.000 18.401) 18.401 13.280 ( 0.000 0.000 4.957) 4.957 13.294 ( 0.000 0.000 -0.990) 0.990 13.876 ( 0.000 0.000 3.111) 3.111 14.614 ( 0.000 0.000 -4.084) 4.084 15.287 ( 0.000 0.000 0.551) 0.551 15.328 ( 0.000 0.000 -1.438) 1.438 15.753 ( 0.000 0.000 5.341) 5.341 16.174 ( 0.000 0.000 3.132) 3.132 16.374 ( 0.000 0.000 5.086) 5.086 16.650 ( 0.000 0.000 -12.363) 12.363 19.040 ( 0.000 0.000 9.093) 9.093 21.341 ( 0.000 0.000 3.910) 3.910 26.296 ( 0.000 0.000 4.919) 4.919 27.114 ( 0.000 0.000 2.572) 2.572 27.228 ( 0.000 0.000 -1.328) 1.328 29.791 ( 0.000 0.000 -5.310) 5.310 30.435 ( 0.000 0.000 -0.053) 0.053 30.465 ( 0.000 0.000 -0.196) 0.196 ======================= Grid point 126 (38/216) ======================= q-point: ( 0.09 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 9.495 -17.428 39.640) 44.331 1.281 ( 21.135 -19.501 36.912) 46.792 2.091 ( 22.354 -47.239 53.326) 74.665 5.949 ( 2.600 4.569 -13.436) 14.428 6.560 ( -8.557 13.333 -15.413) 22.103 6.697 ( 2.434 0.747 -7.572) 7.988 7.268 ( 2.732 -7.505 -20.293) 21.808 9.142 ( -16.958 16.494 -9.557) 25.513 9.335 ( -1.607 24.123 -17.910) 30.087 9.853 ( -4.395 0.648 -10.586) 11.480 10.130 ( 1.637 -6.963 -11.362) 13.426 10.525 ( -12.063 0.944 6.261) 13.624 10.714 ( 5.962 11.563 4.177) 13.664 11.087 ( -5.902 -9.129 8.550) 13.830 11.256 ( 10.266 -10.368 3.621) 15.033 11.855 ( 2.358 3.353 8.236) 9.200 12.201 ( -2.464 -11.642 -2.730) 12.209 13.074 ( -8.626 4.307 20.247) 22.425 13.196 ( -6.729 -0.478 7.810) 10.320 13.302 ( 5.354 1.736 9.749) 11.257 13.718 ( 15.041 17.533 10.428) 25.345 14.430 ( -4.211 13.720 -3.570) 14.789 14.854 ( 4.849 26.571 9.723) 28.706 15.358 ( -2.449 0.366 -2.879) 3.797 15.731 ( -1.822 -1.784 4.943) 5.562 16.329 ( -3.817 -20.186 1.116) 20.574 16.527 ( 2.587 -0.283 -11.060) 11.362 16.940 ( 9.333 -16.529 -14.642) 23.972 18.516 ( -12.148 23.398 36.298) 44.862 21.685 ( -6.140 -23.249 -11.085) 26.479 25.642 ( -14.483 44.383 48.616) 67.403 26.335 ( -0.522 -0.003 6.390) 6.411 28.144 ( -28.258 -42.317 -22.181) 55.509 29.200 ( -66.422 -17.548 16.375) 70.626 30.463 ( -0.407 -3.639 -0.278) 3.673 31.390 ( 100.857 21.783 -36.167) 109.337 ======================= Grid point 127 (39/216) ======================= q-point: ( 0.18 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 19.659 -38.857 5.848) 43.938 1.941 ( 25.490 -27.775 21.416) 43.357 3.206 ( 24.708 -52.470 37.533) 69.082 5.807 ( 4.160 16.967 -20.921) 27.256 6.256 ( -15.239 7.223 -4.942) 17.574 6.744 ( 0.104 -2.082 -9.384) 9.613 7.293 ( 6.670 10.084 -5.117) 13.128 8.652 ( -12.945 21.402 -13.383) 28.368 9.050 ( -12.062 2.607 -20.373) 23.819 9.733 ( -3.898 7.450 -4.530) 9.551 10.100 ( -1.145 6.388 -1.614) 6.688 10.517 ( 1.355 6.041 -6.018) 8.634 10.587 ( -5.038 -5.949 5.122) 9.328 11.154 ( -6.872 -4.531 -7.557) 11.174 11.477 ( 6.230 -6.261 7.946) 11.881 11.818 ( 2.983 4.071 7.680) 9.190 12.333 ( -4.154 -6.861 1.506) 8.160 12.988 ( -5.221 -2.978 13.640) 14.906 13.149 ( -0.271 4.926 4.407) 6.615 13.309 ( 6.224 4.093 11.949) 14.081 13.618 ( 12.731 11.879 11.263) 20.737 14.230 ( 4.345 7.747 -0.724) 8.912 14.536 ( 0.638 13.505 -0.402) 13.526 15.307 ( -4.580 1.475 -3.119) 5.734 15.768 ( 2.653 0.261 4.953) 5.624 16.501 ( -7.244 -4.828 -10.358) 13.530 16.637 ( -3.257 -13.195 -1.228) 13.647 17.197 ( 5.534 -8.055 -10.210) 14.133 18.240 ( -2.104 4.186 31.396) 31.744 21.888 ( -6.526 -10.245 -4.492) 12.951 25.141 ( -4.812 12.123 30.483) 33.156 26.349 ( 0.412 -1.216 5.247) 5.402 28.402 ( -22.820 -21.762 -13.518) 34.308 29.036 ( -27.943 -13.286 8.348) 32.047 30.544 ( -1.583 -6.852 -0.464) 7.048 31.667 ( 54.213 27.104 -19.526) 63.679 ======================= Grid point 128 (40/216) ======================= q-point: ( 0.27 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 24.823 -26.295 13.938) 38.754 2.733 ( 18.146 -42.853 -6.228) 46.951 4.249 ( 17.267 -43.554 27.898) 54.529 5.506 ( 4.720 20.290 -17.629) 27.290 5.990 ( -18.537 6.237 2.323) 19.695 6.685 ( -2.532 8.593 -11.807) 14.821 7.131 ( 9.920 16.200 2.611) 19.175 8.190 ( -11.021 19.109 -10.982) 24.642 8.992 ( -14.096 -9.533 -16.214) 23.505 9.618 ( 0.139 1.924 -8.120) 8.346 10.008 ( 0.276 3.221 -0.544) 3.278 10.348 ( -1.409 9.844 -2.204) 10.186 10.690 ( -4.894 -6.316 -3.535) 8.737 11.087 ( -8.366 3.586 -12.574) 15.522 11.591 ( 7.627 0.819 1.496) 7.815 11.767 ( -2.546 2.068 12.706) 13.122 12.378 ( -2.121 -2.852 -4.929) 6.077 12.912 ( -1.161 12.572 6.197) 14.064 13.087 ( -1.627 -3.642 9.616) 10.411 13.306 ( 4.930 2.755 8.561) 10.256 13.561 ( 5.687 5.019 16.515) 18.173 14.246 ( 10.641 0.561 -2.573) 10.962 14.439 ( 5.334 1.762 -2.405) 6.111 15.220 ( -6.672 2.330 -3.447) 7.863 15.731 ( 0.126 5.731 6.236) 8.470 16.508 ( -7.433 -5.106 -10.211) 13.623 16.735 ( -6.665 -4.302 -3.181) 8.547 17.393 ( 5.018 -9.287 -5.197) 11.766 18.238 ( 1.765 -2.122 27.415) 27.554 21.956 ( -4.127 -4.653 0.499) 6.239 24.988 ( -1.799 4.083 19.454) 19.959 26.379 ( 0.736 -1.500 4.727) 5.014 28.506 ( -17.745 -14.679 -8.288) 24.475 29.036 ( -10.850 -7.771 2.456) 13.570 30.655 ( -2.894 -8.647 -0.765) 9.150 31.651 ( 32.877 22.972 -10.253) 41.398 ======================= Grid point 129 (41/216) ======================= q-point: ( 0.36 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.235 ( 16.185 -19.591 12.221) 28.198 3.601 ( 15.818 -38.686 -8.774) 42.706 4.797 ( -0.338 -6.499 13.474) 14.964 5.402 ( 12.360 -0.720 -11.502) 16.900 5.685 ( -17.801 7.723 1.070) 19.433 6.509 ( 5.772 9.595 0.520) 11.210 6.935 ( -0.022 11.624 -3.664) 12.188 7.809 ( -5.176 16.782 0.556) 17.571 9.064 ( -9.637 -11.756 -8.691) 17.511 9.659 ( -0.004 -4.628 -15.020) 15.717 10.016 ( 2.277 -3.320 -0.161) 4.029 10.182 ( -1.021 7.859 -4.494) 9.110 10.666 ( -4.948 3.565 -8.988) 10.861 10.899 ( -9.885 6.786 -9.768) 15.465 11.577 ( 11.110 11.373 -6.585) 17.209 11.725 ( -7.999 -3.485 13.420) 16.007 12.395 ( 0.020 -0.541 -9.805) 9.820 12.706 ( -0.573 8.187 12.290) 14.778 13.155 ( -2.718 -5.747 5.866) 8.650 13.297 ( 4.937 3.971 10.407) 12.184 13.557 ( 1.104 -0.306 15.953) 15.994 14.377 ( 11.371 -2.696 -7.622) 13.952 14.525 ( 9.346 -1.416 0.510) 9.467 15.104 ( -8.628 2.375 -3.047) 9.454 15.602 ( -3.166 6.688 7.739) 10.708 16.529 ( -5.198 -4.391 -8.018) 10.516 16.697 ( -4.596 1.178 -6.858) 8.340 17.582 ( 3.273 -7.515 -2.838) 8.674 18.303 ( 1.674 -2.881 27.252) 27.455 21.980 ( -2.153 -1.992 2.828) 4.075 24.933 ( -0.740 1.485 14.621) 14.715 26.410 ( 0.668 -1.241 4.314) 4.538 28.570 ( -11.257 -9.599 -5.893) 15.924 29.064 ( -3.645 -3.447 -0.777) 5.077 30.769 ( -3.584 -8.132 -1.193) 8.966 31.564 ( 19.533 16.508 -5.616) 26.184 ======================= Grid point 130 (42/216) ======================= q-point: ( 0.45 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( 4.004 -6.365 12.612) 14.683 4.286 ( 9.782 -24.132 -1.705) 26.095 4.764 ( 0.643 5.337 6.548) 8.472 5.354 ( -3.793 8.310 -3.771) 9.882 5.531 ( -4.146 -0.180 -24.950) 25.293 6.421 ( 1.580 7.713 -2.420) 8.237 6.937 ( 4.261 -9.925 17.645) 20.688 7.501 ( -3.067 13.911 4.791) 15.029 9.162 ( -3.665 -5.945 -4.748) 8.446 9.718 ( -0.003 -1.782 -17.486) 17.576 10.078 ( 0.115 3.142 -6.226) 6.975 10.154 ( 1.771 -7.851 4.943) 9.446 10.516 ( -1.886 7.493 -15.970) 17.741 10.715 ( -5.669 4.288 -12.386) 14.281 11.490 ( 3.635 5.513 -3.248) 7.359 11.712 ( -2.630 -1.041 7.551) 8.063 12.406 ( 0.532 -0.334 -4.577) 4.620 12.625 ( -0.483 1.747 7.716) 7.926 13.217 ( -2.570 -4.260 7.411) 8.926 13.272 ( 3.388 3.574 9.139) 10.382 13.575 ( 0.124 -0.669 15.403) 15.418 14.532 ( 6.837 -4.067 -7.488) 10.925 14.603 ( 4.485 1.742 -3.285) 5.826 14.997 ( -5.718 0.822 -0.382) 5.789 15.483 ( -2.106 3.092 9.282) 10.008 16.552 ( -2.184 -2.435 -6.300) 7.098 16.636 ( -1.227 1.886 -9.383) 9.649 17.693 ( 1.095 -2.778 -2.121) 3.662 18.351 ( 0.602 -1.209 27.905) 27.938 21.987 ( -0.665 -0.541 3.717) 3.815 24.914 ( -0.207 0.379 12.775) 12.783 26.430 ( 0.265 -0.480 4.079) 4.116 28.609 ( -3.857 -3.495 -4.980) 7.204 29.078 ( -0.790 -0.828 -2.236) 2.512 30.846 ( -1.899 -3.690 -1.634) 4.460 31.493 ( 6.943 6.449 -3.381) 10.061 ======================= Grid point 137 (43/216) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 19.854 -0.000 40.822) 45.394 1.279 ( 23.611 -0.000 41.020) 47.330 2.073 ( 54.531 -0.000 49.685) 73.771 6.006 ( 2.567 -0.000 -9.045) 9.402 6.602 ( -4.849 0.000 -6.547) 8.147 6.762 ( -6.166 0.000 -18.772) 19.759 7.184 ( 5.704 -0.000 -27.854) 28.432 9.111 ( -19.099 0.000 -4.729) 19.676 9.503 ( -21.523 0.000 -25.576) 33.427 9.894 ( 1.553 -0.000 -4.695) 4.946 9.918 ( -5.237 0.000 -9.717) 11.039 10.388 ( -16.290 0.000 10.418) 19.337 10.911 ( 12.043 -0.000 -5.171) 13.107 11.004 ( -4.340 0.000 10.003) 10.904 11.270 ( 15.147 -0.000 3.624) 15.575 11.937 ( 5.995 -0.000 9.587) 11.306 12.044 ( -2.910 0.000 4.589) 5.434 12.994 ( -15.997 0.000 24.545) 29.297 13.152 ( 2.921 -0.000 13.000) 13.324 13.397 ( 10.228 -0.000 10.392) 14.581 13.974 ( 3.301 -0.000 -17.680) 17.986 14.476 ( -11.407 0.000 -6.272) 13.017 15.250 ( -3.745 0.000 0.559) 3.787 15.329 ( -2.592 0.000 -1.295) 2.897 15.706 ( -4.943 0.000 5.038) 7.058 15.908 ( -8.462 0.000 7.432) 11.262 16.652 ( 0.357 -0.000 -11.732) 11.738 16.920 ( 24.332 -0.000 -1.493) 24.378 18.580 ( -23.140 0.000 31.066) 38.737 21.349 ( 0.791 -0.000 3.788) 3.870 25.913 ( -62.184 0.000 64.567) 89.643 26.298 ( 0.146 -0.000 4.936) 4.938 27.130 ( 1.662 -0.000 2.376) 2.900 28.809 ( -7.517 0.000 10.145) 12.626 30.421 ( -1.444 0.000 0.258) 1.467 32.501 ( 59.566 -0.000 -64.807) 88.023 ======================= Grid point 138 (44/216) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 31.201 -17.711 18.110) 40.189 1.788 ( 27.677 -22.174 25.710) 43.803 2.882 ( 52.451 -26.976 36.451) 69.336 5.986 ( -3.198 3.327 -8.257) 9.459 6.376 ( -7.258 18.103 -15.953) 25.197 6.698 ( -1.070 -1.244 -9.798) 9.934 7.352 ( 4.975 -8.329 -18.641) 21.015 8.800 ( -16.692 14.113 -5.647) 22.576 9.109 ( -18.050 16.371 -23.731) 34.014 9.777 ( -5.089 2.169 -1.521) 5.738 10.020 ( -11.331 -3.493 -0.584) 11.872 10.319 ( -7.102 -9.489 -0.070) 11.852 10.868 ( 6.745 13.280 0.946) 14.924 11.005 ( -0.490 -2.587 -1.844) 3.215 11.447 ( 8.268 -3.851 0.784) 9.155 11.937 ( 5.616 3.614 3.057) 7.344 12.157 ( -1.281 -9.896 11.745) 15.411 12.875 ( -8.904 -1.878 19.176) 21.225 13.189 ( 3.815 0.793 7.677) 8.609 13.470 ( 10.275 4.390 13.176) 17.276 13.924 ( 5.673 7.968 -13.131) 16.374 14.308 ( -7.377 3.137 -3.267) 8.657 14.891 ( -2.912 27.381 4.601) 27.917 15.296 ( -3.431 1.246 -1.326) 3.884 15.634 ( -8.458 -10.160 3.011) 13.558 16.235 ( -5.249 -23.590 0.006) 24.167 16.549 ( -0.511 7.872 -4.975) 9.326 17.143 ( 6.127 -5.955 2.357) 8.863 18.351 ( 2.380 9.425 22.562) 24.567 21.562 ( -4.674 -18.209 -0.821) 18.817 25.292 ( -15.954 14.645 40.920) 46.297 26.328 ( -0.085 -1.885 5.384) 5.705 27.545 ( -18.047 -37.132 -0.412) 41.287 28.825 ( 1.903 -3.223 4.006) 5.482 30.433 ( -2.336 -3.498 0.491) 4.234 32.627 ( 33.027 27.722 -36.248) 56.332 ======================= Grid point 139 (45/216) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 29.753 -32.023 -0.313) 43.713 2.457 ( 26.542 -24.533 14.583) 38.975 3.845 ( 37.046 -32.359 29.751) 57.486 5.761 ( -17.525 11.784 -7.419) 22.384 6.046 ( 2.195 14.904 -11.525) 18.968 6.719 ( -0.665 -0.279 -9.208) 9.237 7.450 ( 7.580 6.212 -4.941) 10.975 8.371 ( -14.738 17.042 -11.226) 25.173 8.752 ( -16.852 2.891 -22.117) 27.956 9.691 ( -1.870 3.703 0.944) 4.255 9.905 ( -12.433 -0.894 -1.509) 12.557 10.462 ( -6.778 -10.379 4.280) 13.114 10.702 ( 11.571 15.129 -3.996) 19.461 11.017 ( -6.256 -1.272 -9.563) 11.499 11.525 ( -1.467 -2.558 5.108) 5.898 11.932 ( 8.392 5.660 -1.481) 10.230 12.285 ( -0.824 -6.521 6.359) 9.145 12.876 ( -6.559 -5.526 8.760) 12.259 13.169 ( 2.214 5.806 3.049) 6.921 13.432 ( 6.166 8.149 14.320) 17.592 13.820 ( 7.776 12.904 2.856) 15.334 14.315 ( 3.189 -5.132 0.643) 6.076 14.508 ( -3.445 10.422 -2.951) 11.366 15.221 ( -3.829 3.504 -1.677) 5.454 15.731 ( -7.772 -7.517 1.453) 10.910 16.307 ( -10.124 2.862 0.193) 10.523 16.608 ( -0.611 -13.308 -1.587) 13.416 17.289 ( 3.097 -7.286 0.151) 7.919 18.296 ( 8.689 5.070 18.275) 20.861 21.771 ( -4.767 -11.896 0.262) 12.819 25.044 ( -4.536 5.760 24.391) 25.469 26.361 ( 0.833 -1.693 4.962) 5.309 27.916 ( -18.368 -28.416 -2.746) 33.947 28.920 ( 4.084 -3.823 0.966) 5.677 30.487 ( -3.933 -6.231 0.599) 7.393 32.403 ( 23.923 29.085 -18.154) 41.807 ======================= Grid point 140 (46/216) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 17.217 -22.612 11.402) 30.623 3.190 ( 27.268 -32.714 -9.240) 43.579 4.572 ( 13.029 -20.977 22.197) 33.204 5.379 ( -21.693 7.709 1.272) 23.057 5.886 ( 12.134 12.144 -12.990) 21.528 6.677 ( 3.357 5.048 -4.718) 7.682 7.253 ( 0.771 21.363 -2.443) 21.516 8.004 ( -6.286 13.060 -7.313) 16.234 8.697 ( -15.981 -13.079 -17.331) 26.959 9.648 ( 1.786 0.347 -2.147) 2.815 9.856 ( -8.336 -5.312 -3.353) 10.438 10.443 ( 1.391 7.882 5.800) 9.884 10.640 ( 3.140 2.421 -4.906) 6.308 10.899 ( -10.116 5.058 -10.904) 15.710 11.554 ( -5.434 -4.858 0.849) 7.338 11.888 ( 9.326 9.762 -2.743) 13.777 12.366 ( 0.069 -3.254 -4.864) 5.853 12.855 ( -4.121 4.249 3.731) 6.997 13.070 ( 0.059 3.156 10.091) 10.573 13.380 ( 2.933 2.953 12.011) 12.712 13.667 ( 4.651 10.075 13.565) 17.525 14.435 ( 6.195 -1.576 -8.115) 10.331 14.511 ( 2.464 -8.774 0.378) 9.121 15.103 ( -4.084 5.804 -1.966) 7.364 15.687 ( -4.760 5.086 4.428) 8.254 16.204 ( -18.560 -8.470 0.221) 20.402 16.777 ( 6.133 -3.039 -4.621) 8.258 17.455 ( 1.368 -9.185 -2.107) 9.523 18.317 ( 6.367 1.536 20.967) 21.966 21.886 ( -2.822 -6.474 2.318) 7.433 24.953 ( -1.673 2.246 16.833) 17.065 26.399 ( 1.316 -1.386 4.509) 4.897 28.181 ( -12.141 -21.032 -3.709) 24.567 29.016 ( 3.954 -2.550 -0.934) 4.796 30.560 ( -6.357 -8.121 0.541) 10.327 32.139 ( 17.961 25.789 -10.049) 32.994 ======================= Grid point 141 (47/216) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 6.254 -11.550 10.015) 16.517 3.966 ( 20.836 -29.778 -9.095) 37.464 4.808 ( 1.850 -2.771 15.377) 15.734 5.079 ( -28.761 -0.155 3.168) 28.936 5.854 ( 17.545 11.259 -22.256) 30.495 6.641 ( 3.668 12.515 2.065) 13.204 6.915 ( 1.732 5.369 0.548) 5.668 7.751 ( -0.277 15.938 4.272) 16.503 8.822 ( -14.735 -18.359 -11.913) 26.383 9.712 ( 3.805 -3.669 -6.827) 8.634 9.924 ( -3.085 -9.205 -5.089) 10.961 10.307 ( 5.012 11.283 -0.714) 12.367 10.599 ( -1.857 3.468 -2.562) 4.695 10.720 ( -6.454 4.166 -10.003) 12.612 11.530 ( -7.660 1.734 -3.893) 8.765 11.817 ( 9.506 7.710 -4.556) 13.060 12.391 ( -1.674 -0.905 -5.218) 5.554 12.727 ( 3.575 7.325 8.153) 11.528 13.078 ( -4.578 -4.693 8.141) 10.453 13.363 ( 1.385 1.963 10.832) 11.095 13.596 ( 2.808 3.172 14.745) 15.341 14.520 ( 0.373 -3.341 -10.490) 11.015 14.677 ( 5.876 -3.063 -0.254) 6.631 14.964 ( -2.778 4.697 -0.374) 5.470 15.535 ( -3.430 5.859 8.250) 10.685 16.213 ( -18.689 -13.048 -2.827) 22.968 16.845 ( 11.354 4.232 -7.565) 14.285 17.603 ( -1.031 -7.534 -2.314) 7.949 18.354 ( 3.499 0.034 24.810) 25.056 21.947 ( -1.161 -3.283 3.505) 4.941 24.919 ( -0.672 0.731 13.498) 13.535 26.429 ( 1.308 -0.600 4.153) 4.395 28.403 ( -4.916 -15.059 -4.278) 16.409 29.079 ( 3.490 -0.694 -2.112) 4.138 30.632 ( -9.419 -9.280 0.216) 13.224 31.885 ( 12.971 21.956 -6.012) 26.200 ======================= Grid point 142 (48/216) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( -0.710 -1.012 12.266) 12.329 4.497 ( 10.984 -4.862 3.087) 12.402 4.672 ( -15.770 4.547 5.739) 17.387 4.979 ( -10.414 -12.323 -11.736) 19.951 5.828 ( 14.754 9.167 -18.156) 25.127 6.395 ( -1.008 6.366 -7.374) 9.794 7.053 ( 4.877 -1.490 19.035) 19.706 7.460 ( -0.325 11.955 5.827) 13.303 9.002 ( -10.968 -16.639 -8.056) 21.496 9.794 ( 5.200 0.648 -12.886) 13.911 10.079 ( 1.886 -6.069 -3.166) 7.101 10.182 ( 1.483 4.758 0.156) 4.987 10.503 ( -1.414 3.509 -14.714) 15.192 10.696 ( 4.432 -2.598 -8.908) 10.283 11.391 ( -9.017 2.604 -4.673) 10.484 11.813 ( 7.750 3.449 6.274) 10.551 12.387 ( -1.955 -1.270 -5.667) 6.128 12.684 ( 6.205 4.441 6.894) 10.284 13.109 ( -6.495 -5.103 6.748) 10.666 13.337 ( 1.308 2.665 11.341) 11.723 13.588 ( 1.566 0.908 13.435) 13.557 14.500 ( -11.209 0.625 -8.933) 14.347 14.641 ( 1.698 8.895 -2.829) 9.487 14.987 ( 3.785 -5.021 1.785) 6.537 15.473 ( 0.990 -0.331 9.065) 9.125 16.270 ( -14.945 -12.846 -7.005) 20.915 16.878 ( 14.254 6.103 -8.045) 17.469 17.673 ( -3.064 -2.752 -2.072) 4.610 18.373 ( 1.520 0.905 27.361) 27.418 21.981 ( 0.091 -1.573 3.837) 4.148 24.910 ( -0.187 -0.088 12.381) 12.383 26.441 ( 0.887 0.472 3.997) 4.121 28.590 ( 1.728 -8.579 -4.801) 9.981 29.116 ( 4.389 0.329 -2.595) 5.109 30.686 ( -12.684 -9.642 -0.495) 15.941 31.649 ( 7.649 17.705 -3.887) 19.674 ======================= Grid point 143 (49/216) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( -10.802 16.342 12.556) 23.268 4.142 ( -4.797 35.468 -4.712) 36.100 4.670 ( -8.642 -14.513 6.126) 17.967 5.211 ( -2.029 -11.366 -15.249) 19.127 5.869 ( 11.767 1.016 -0.516) 11.822 6.371 ( 0.849 2.136 -0.951) 2.487 6.907 ( -0.558 7.820 5.413) 9.527 7.552 ( 1.861 -15.738 5.247) 16.694 9.144 ( -3.841 -8.153 -4.492) 10.070 9.776 ( 3.409 5.620 -21.353) 22.341 9.978 ( -6.375 8.670 -2.168) 10.977 10.275 ( 13.018 -0.875 3.132) 13.418 10.574 ( 3.022 -10.099 -21.679) 24.106 10.854 ( 7.158 -7.964 -9.773) 14.497 11.306 ( -11.982 -4.539 -1.983) 12.966 11.843 ( 6.534 1.060 19.227) 20.335 12.400 ( 1.139 -0.667 -12.884) 12.951 12.677 ( 3.867 2.185 11.547) 12.371 13.127 ( -6.557 -4.728 3.941) 8.993 13.294 ( 0.802 3.792 13.245) 13.800 13.583 ( 1.263 1.529 11.720) 11.886 14.321 ( -13.239 4.129 -7.142) 15.599 14.492 ( -5.445 6.176 0.191) 8.236 15.120 ( 5.340 -4.628 -0.771) 7.108 15.544 ( 3.586 -4.221 8.265) 9.949 16.354 ( -10.006 -11.222 -11.540) 18.953 16.925 ( 15.944 5.580 -6.710) 18.176 17.631 ( -5.178 3.028 -2.115) 6.361 18.349 ( 0.276 2.907 28.478) 28.627 22.005 ( 1.092 -0.588 3.405) 3.624 24.918 ( 0.158 -0.860 12.895) 12.925 26.431 ( 0.292 1.419 4.088) 4.337 28.712 ( 5.224 -1.329 -5.675) 7.827 29.175 ( 10.196 0.199 -2.261) 10.445 30.706 ( -15.487 -8.591 -1.557) 17.779 31.434 ( 0.418 12.444 -2.964) 12.799 ======================= Grid point 144 (50/216) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -17.250 27.168 14.310) 35.220 3.370 ( -7.971 46.027 -9.179) 47.606 4.812 ( 1.348 20.094 14.103) 24.586 5.121 ( -11.790 -8.452 -5.920) 15.668 6.052 ( 15.124 -8.630 2.749) 17.629 6.468 ( 1.492 -14.076 -5.490) 15.182 6.869 ( -6.586 -3.473 -3.339) 8.160 7.924 ( 5.755 -22.421 -3.054) 23.349 9.211 ( 6.184 0.934 -5.164) 8.111 9.688 ( 1.540 8.076 -22.079) 23.560 9.804 ( -12.009 -2.333 -4.660) 13.091 10.425 ( 17.100 0.946 -0.867) 17.148 10.760 ( 4.236 -4.292 -10.768) 12.342 11.057 ( 5.511 -7.653 -12.142) 15.374 11.309 ( -14.945 -11.503 -2.252) 18.993 11.892 ( 7.193 2.407 25.668) 26.765 12.428 ( 3.718 0.217 -12.729) 13.263 12.712 ( -0.758 -6.137 13.539) 14.884 13.143 ( -4.038 -2.865 -0.481) 4.974 13.228 ( -1.035 3.424 16.291) 16.679 13.554 ( 0.672 3.235 12.221) 12.659 14.151 ( -10.517 1.694 -4.149) 11.432 14.356 ( -7.002 1.518 -0.080) 7.165 15.237 ( 4.667 -3.316 -2.418) 6.215 15.648 ( 1.423 -4.345 7.841) 9.076 16.448 ( -4.706 -8.126 -15.072) 17.758 16.988 ( 16.549 6.299 -4.823) 18.353 17.475 ( -7.737 7.536 -3.275) 11.286 18.287 ( -0.254 4.091 29.181) 29.468 22.022 ( 1.928 0.351 1.927) 2.749 24.946 ( 0.500 -2.267 15.352) 15.526 26.403 ( -0.145 1.860 4.406) 4.785 28.733 ( 3.930 3.700 -6.876) 8.741 29.326 ( 23.995 1.232 -1.830) 24.096 30.669 ( -17.481 -5.794 -2.586) 18.597 31.230 ( -10.386 6.420 -3.136) 12.606 ======================= Grid point 145 (51/216) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -13.796 31.738 18.506) 39.244 2.487 ( -6.746 48.617 -5.209) 49.359 4.005 ( -6.637 55.667 31.547) 64.328 5.426 ( -2.350 -22.988 -19.255) 30.079 6.334 ( 13.775 -3.716 -2.165) 14.431 6.700 ( -2.375 -7.360 -8.952) 11.830 6.949 ( -6.236 -18.422 1.203) 19.486 8.364 ( 5.409 -22.352 -11.586) 25.751 9.223 ( 8.260 7.398 -17.555) 20.764 9.649 ( 3.987 -5.166 -8.366) 10.610 9.818 ( -12.659 -11.674 -5.120) 17.965 10.550 ( 11.566 1.440 -3.607) 12.201 10.759 ( 1.016 6.415 -1.188) 6.602 11.199 ( 2.923 -4.044 -16.247) 16.996 11.393 ( -8.178 -9.906 2.680) 13.122 11.855 ( 3.180 7.558 25.139) 26.443 12.453 ( 4.364 2.262 -7.616) 9.064 12.896 ( -2.215 -16.191 9.731) 19.019 13.118 ( 1.581 4.101 12.233) 12.998 13.193 ( -5.435 -3.303 4.971) 8.072 13.487 ( -1.495 3.678 17.244) 17.695 14.077 ( -5.419 -2.871 -1.490) 6.310 14.350 ( -2.754 -7.055 -2.136) 7.869 15.320 ( 2.957 -2.094 -3.118) 4.780 15.704 ( -1.555 -2.452 7.133) 7.701 16.528 ( -0.616 -3.968 -16.352) 16.838 16.972 ( 11.496 14.720 -1.039) 18.706 17.269 ( -6.959 6.133 -8.808) 12.791 18.230 ( 0.295 1.490 31.152) 31.189 22.024 ( 2.243 2.142 -1.521) 3.454 25.016 ( 0.831 -5.836 21.143) 21.949 26.370 ( -0.206 1.677 4.866) 5.151 28.676 ( 1.914 6.145 -8.622) 10.759 29.616 ( 43.242 2.179 -3.244) 43.418 30.559 ( -23.051 -4.025 -3.312) 23.633 30.988 ( -21.980 4.532 -3.634) 22.735 ======================= Grid point 146 (52/216) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.000 31.751 25.922) 40.989 1.662 ( 0.000 41.599 12.765) 43.514 2.965 ( 0.000 60.889 39.999) 72.852 5.760 ( -0.000 -16.494 -20.826) 26.567 6.438 ( -0.000 -4.243 -10.746) 11.553 6.716 ( 0.000 1.631 -4.360) 4.655 7.229 ( -0.000 -11.792 -7.343) 13.892 8.799 ( -0.000 -26.517 -13.305) 29.668 9.168 ( 0.000 0.642 -19.934) 19.945 9.832 ( -0.000 -5.738 -12.333) 13.602 9.991 ( -0.000 -17.757 1.227) 17.799 10.586 ( 0.000 0.571 -0.868) 1.039 10.633 ( 0.000 6.312 1.737) 6.546 11.241 ( 0.000 1.487 -21.844) 21.895 11.383 ( 0.000 8.318 23.083) 24.536 11.791 ( -0.000 -1.047 13.230) 13.271 12.396 ( 0.000 7.997 -6.976) 10.613 13.082 ( 0.000 0.228 20.971) 20.972 13.140 ( -0.000 -10.552 7.078) 12.706 13.229 ( -0.000 -4.844 0.059) 4.844 13.440 ( -0.000 -1.886 27.629) 27.693 14.181 ( -0.000 -12.874 -2.214) 13.063 14.522 ( -0.000 -13.795 0.316) 13.799 15.362 ( -0.000 -1.006 -3.343) 3.491 15.720 ( -0.000 -1.179 6.365) 6.474 16.557 ( 0.000 0.632 -15.586) 15.598 16.696 ( 0.000 21.374 1.331) 21.415 17.131 ( 0.000 9.078 -14.850) 17.405 18.283 ( -0.000 -8.525 34.965) 35.989 21.966 ( 0.000 7.656 -8.350) 11.329 25.195 ( -0.000 -16.585 33.008) 36.941 26.345 ( 0.000 1.047 5.393) 5.493 28.559 ( 0.000 9.680 -13.248) 16.407 30.034 ( -0.000 -1.919 -14.780) 14.904 30.354 ( -0.000 -1.869 0.420) 1.915 30.693 ( 0.000 10.359 -0.808) 10.390 ======================= Grid point 149 (53/216) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 38.766 -0.000 13.490) 41.046 1.831 ( 31.416 -0.000 27.783) 41.939 3.235 ( 59.036 -0.000 28.892) 65.727 5.925 ( -15.001 0.000 -2.514) 15.210 6.522 ( -2.436 0.000 -11.798) 12.047 6.701 ( 3.130 -0.000 -18.205) 18.472 7.266 ( 2.076 -0.000 -20.642) 20.746 8.790 ( -13.492 0.000 -3.178) 13.861 9.063 ( -22.977 0.000 -25.644) 34.432 9.687 ( -16.291 0.000 1.775) 16.387 9.908 ( -0.931 0.000 0.422) 1.022 10.171 ( -5.461 0.000 1.272) 5.607 10.870 ( -8.391 0.000 -4.470) 9.508 11.178 ( 14.320 -0.000 -6.273) 15.634 11.522 ( 10.268 -0.000 -2.549) 10.579 11.992 ( -3.087 0.000 13.916) 14.254 12.076 ( 8.050 -0.000 8.310) 11.570 12.764 ( -9.403 0.000 19.189) 21.369 13.267 ( 8.583 -0.000 10.540) 13.592 13.631 ( 13.210 -0.000 13.139) 18.632 13.949 ( -7.190 0.000 -23.528) 24.602 14.256 ( -8.335 0.000 -5.168) 9.807 15.143 ( -7.234 0.000 0.601) 7.259 15.214 ( -8.488 0.000 0.938) 8.540 15.559 ( -10.074 0.000 4.617) 11.082 15.810 ( -3.043 0.000 5.241) 6.061 16.669 ( 1.478 -0.000 -10.157) 10.264 17.085 ( -3.300 0.000 24.274) 24.497 18.546 ( 15.121 -0.000 5.813) 16.200 21.368 ( 1.152 -0.000 3.470) 3.656 25.243 ( -16.977 0.000 39.272) 42.784 26.301 ( 0.253 -0.000 4.957) 4.964 27.177 ( 3.109 -0.000 1.886) 3.636 28.851 ( 7.255 -0.000 1.005) 7.324 30.381 ( -2.559 0.000 1.085) 2.779 33.069 ( 11.208 -0.000 -34.062) 35.858 ======================= Grid point 150 (54/216) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 34.173 -14.085 12.183) 38.918 2.373 ( 34.440 -17.307 10.141) 39.856 3.886 ( 46.724 -12.822 23.752) 53.960 5.676 ( -26.516 5.562 1.043) 27.113 6.370 ( 4.524 14.489 -16.985) 22.779 6.742 ( 6.958 0.901 -10.189) 12.371 7.412 ( -0.082 -11.603 -15.062) 19.013 8.518 ( -12.389 15.979 -3.148) 20.462 8.743 ( -17.582 10.572 -26.117) 33.212 9.575 ( -14.584 -5.005 2.618) 15.640 9.872 ( -3.768 2.707 1.474) 4.868 10.224 ( -3.094 -9.135 1.637) 9.783 10.810 ( -6.650 -2.024 -9.238) 11.561 11.183 ( 12.100 13.204 -4.022) 18.355 11.547 ( 2.207 4.555 1.345) 5.237 12.032 ( 2.166 -3.796 -0.805) 4.445 12.177 ( 4.667 -3.957 13.060) 14.422 12.717 ( -7.829 -4.429 12.097) 15.075 13.297 ( 6.236 5.701 5.383) 10.019 13.665 ( 9.042 9.325 11.105) 17.089 13.938 ( -3.842 -6.027 -14.291) 15.979 14.212 ( -0.721 -1.748 -0.788) 2.049 14.769 ( -8.169 23.874 2.839) 25.392 15.204 ( -7.502 -2.630 -1.056) 8.020 15.427 ( -11.336 -6.987 4.387) 14.021 16.140 ( -4.259 -25.739 0.828) 26.102 16.523 ( -1.748 13.251 1.302) 13.429 17.158 ( -1.873 -9.905 16.346) 19.205 18.598 ( 18.671 12.299 2.740) 22.525 21.510 ( -1.149 -12.992 2.097) 13.211 25.076 ( -7.114 4.160 27.087) 28.313 26.331 ( 0.330 -2.468 5.014) 5.598 27.384 ( -2.071 -19.083 0.825) 19.213 28.943 ( 8.464 -1.286 -0.496) 8.576 30.377 ( -3.320 -2.681 1.505) 4.525 32.976 ( 7.876 18.057 -21.927) 29.476 ======================= Grid point 151 (55/216) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 22.767 -20.860 11.706) 33.023 3.034 ( 33.531 -21.582 -5.322) 40.229 4.458 ( 22.251 -12.259 20.099) 32.394 5.272 ( -28.873 8.113 4.769) 30.368 6.225 ( 13.702 11.931 -13.567) 22.675 6.788 ( 8.340 2.805 -5.433) 10.342 7.499 ( -4.091 4.001 -9.719) 11.279 8.121 ( -11.052 12.272 -8.752) 18.691 8.471 ( -9.739 4.293 -19.684) 22.377 9.545 ( -12.211 -6.353 -0.598) 13.778 9.808 ( 1.023 1.550 0.852) 2.043 10.335 ( -5.436 -7.798 7.245) 11.952 10.787 ( -3.789 0.104 -9.798) 10.505 11.012 ( 5.996 16.486 -2.827) 17.768 11.483 ( -1.263 1.285 -2.495) 3.078 12.079 ( 5.064 3.102 -1.886) 6.231 12.294 ( 1.750 -5.014 2.514) 5.876 12.741 ( -6.897 -6.176 4.602) 10.339 13.217 ( 2.199 7.911 2.943) 8.723 13.547 ( 5.736 11.385 12.005) 17.511 13.930 ( 3.892 12.869 3.933) 14.008 14.263 ( -7.989 -10.371 -0.273) 13.094 14.498 ( 3.037 1.281 -2.565) 4.176 15.147 ( -5.091 1.408 -2.281) 5.754 15.493 ( -14.216 -13.250 2.251) 19.563 16.161 ( -4.849 14.732 5.751) 16.542 16.596 ( -0.788 -20.753 1.216) 20.804 17.319 ( 0.470 -8.895 6.679) 11.133 18.535 ( 14.141 12.855 7.567) 20.554 21.708 ( -1.878 -11.299 2.224) 11.668 24.974 ( -2.696 2.575 18.769) 19.136 26.380 ( 1.031 -2.409 4.697) 5.379 27.709 ( -4.758 -22.519 -1.021) 23.039 29.043 ( 7.575 -1.052 -1.505) 7.794 30.399 ( -4.909 -4.408 1.757) 6.828 32.696 ( 8.409 23.029 -13.331) 27.906 ======================= Grid point 152 (56/216) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 8.766 -13.545 8.985) 18.467 3.727 ( 26.822 -24.583 -12.641) 38.516 4.728 ( 4.794 -7.802 20.473) 22.427 4.890 ( -25.089 6.249 6.762) 26.725 6.188 ( 12.886 10.841 -13.706) 21.712 6.840 ( 12.680 2.755 0.720) 12.995 7.152 ( -8.232 23.205 -12.916) 27.804 7.970 ( 0.913 4.716 -3.197) 5.770 8.404 ( -12.957 -8.785 -12.000) 19.725 9.571 ( -7.937 -9.096 -5.125) 13.115 9.854 ( 5.168 -3.007 -2.016) 6.310 10.383 ( -3.286 -3.470 7.474) 8.871 10.696 ( -4.319 7.557 -3.601) 9.419 10.798 ( 4.362 11.281 -2.521) 12.355 11.477 ( -2.801 -0.713 -11.501) 11.858 12.035 ( 5.560 7.426 -3.599) 9.950 12.343 ( -3.205 -1.532 -5.289) 6.371 12.785 ( -2.551 -4.372 0.713) 5.112 13.092 ( 2.419 8.351 11.984) 14.806 13.424 ( 1.740 6.776 11.726) 13.654 13.734 ( 2.169 9.374 9.964) 13.851 14.379 ( -7.666 -8.868 -6.365) 13.339 14.616 ( 5.415 -7.089 0.040) 8.921 15.075 ( -0.060 4.011 -3.595) 5.387 15.545 ( -9.497 -4.519 3.012) 10.940 15.900 ( -11.179 3.151 6.866) 13.492 16.898 ( 5.750 -10.864 -1.455) 12.378 17.453 ( -1.205 -7.377 0.074) 7.475 18.464 ( 8.019 7.803 15.469) 19.092 21.848 ( -1.137 -7.097 3.182) 7.861 24.926 ( -1.087 1.143 14.401) 14.487 26.427 ( 1.471 -1.549 4.267) 4.772 28.044 ( -2.927 -21.409 -2.718) 21.778 29.119 ( 5.957 -0.069 -2.231) 6.361 30.424 ( -7.306 -5.350 1.803) 9.233 32.382 ( 8.068 23.214 -8.454) 25.990 ======================= Grid point 153 (57/216) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( -0.750 -7.563 9.561) 12.214 4.341 ( 11.578 -20.885 -10.320) 26.014 4.547 ( -17.728 4.759 5.945) 19.295 4.908 ( 7.411 -3.429 14.363) 16.522 6.075 ( 1.865 10.634 -13.505) 17.290 6.611 ( -0.672 19.760 -14.638) 24.600 7.044 ( 7.229 -2.641 2.731) 8.167 7.797 ( 4.167 19.950 9.568) 22.515 8.535 ( -13.722 -21.442 -11.152) 27.793 9.700 ( -3.625 -11.926 -6.243) 13.941 9.989 ( 6.620 -5.590 -8.612) 12.216 10.401 ( 7.788 5.304 2.705) 9.803 10.488 ( -7.606 6.120 -2.584) 10.099 10.742 ( 5.316 2.093 -1.858) 6.008 11.388 ( -7.807 5.193 -11.498) 14.836 11.962 ( 4.635 6.786 -2.289) 8.531 12.328 ( -3.502 -2.414 -6.342) 7.636 12.829 ( 4.581 0.699 1.333) 4.822 13.012 ( -0.213 2.490 12.483) 12.731 13.355 ( -1.867 1.651 12.929) 13.167 13.657 ( 3.216 3.841 9.137) 10.420 14.370 ( -12.148 -1.823 -5.948) 13.648 14.773 ( 3.967 -2.525 -2.883) 5.516 15.001 ( 3.533 5.753 -0.560) 6.774 15.477 ( -2.379 1.310 8.951) 9.354 15.890 ( -13.607 -13.590 -1.562) 19.294 17.066 ( 11.003 0.090 -5.138) 12.143 17.547 ( -4.629 -6.868 -2.259) 8.585 18.428 ( 3.656 3.504 22.746) 23.303 21.934 ( -0.267 -4.041 3.793) 5.549 24.908 ( -0.425 0.247 12.390) 12.400 26.456 ( 1.334 -0.232 3.954) 4.179 28.370 ( 0.686 -18.075 -4.079) 18.542 29.167 ( 5.144 0.269 -2.733) 5.832 30.434 ( -10.267 -5.773 1.596) 11.886 32.071 ( 6.545 21.997 -5.701) 23.647 ======================= Grid point 154 (58/216) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( -2.474 5.190 11.400) 12.768 4.262 ( -18.163 -8.784 5.571) 20.931 4.676 ( 6.151 18.755 6.039) 20.641 5.005 ( 6.878 -13.472 -15.743) 21.833 5.897 ( -5.343 3.876 -7.426) 9.936 6.524 ( 12.517 2.073 -9.396) 15.788 7.061 ( -3.502 5.840 5.890) 9.003 7.484 ( 1.630 12.672 11.444) 17.153 8.802 ( -8.453 -21.316 -9.261) 24.730 9.848 ( 1.006 -4.712 -7.572) 8.975 10.102 ( 0.440 5.232 -5.254) 7.427 10.301 ( 5.988 -1.469 -11.260) 12.838 10.499 ( 4.829 -3.258 -8.663) 10.439 10.813 ( 6.011 -2.859 -3.021) 7.310 11.207 ( -9.956 3.997 -4.797) 11.752 11.901 ( 0.637 2.720 14.028) 14.303 12.377 ( 1.477 -3.786 -15.473) 15.998 12.830 ( 7.699 7.128 8.629) 13.584 12.992 ( -4.953 -3.346 6.234) 8.637 13.318 ( -2.552 0.546 15.401) 15.621 13.642 ( 3.704 2.485 5.867) 7.370 14.238 ( -13.212 1.790 -3.640) 13.821 14.655 ( -0.132 14.340 -3.322) 14.721 15.059 ( 2.790 -6.283 2.727) 7.396 15.509 ( 2.173 -3.776 8.593) 9.634 16.031 ( -9.065 -15.332 -9.009) 19.960 17.138 ( 12.129 3.709 -7.585) 14.778 17.580 ( -6.246 -2.723 -1.774) 7.041 18.403 ( 1.329 2.671 26.987) 27.151 21.987 ( 0.346 -2.327 3.797) 4.467 24.907 ( -0.102 -0.397 11.924) 11.931 26.459 ( 0.778 1.111 3.877) 4.107 28.645 ( 2.941 -11.247 -5.118) 12.702 29.238 ( 7.442 -2.699 -3.241) 8.554 30.417 ( -13.398 -5.654 1.163) 14.588 31.764 ( 3.986 20.394 -4.094) 21.180 ======================= Grid point 155 (59/216) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( -6.995 24.631 12.197) 28.362 4.091 ( -0.948 42.878 -6.926) 43.444 4.528 ( -4.243 -27.594 2.378) 28.019 5.242 ( 2.312 1.604 -1.858) 3.373 5.920 ( -1.739 -10.643 -5.801) 12.245 6.498 ( 7.495 11.499 7.773) 15.774 6.870 ( -2.774 7.432 -3.025) 8.490 7.577 ( 0.782 -19.262 2.499) 19.439 9.070 ( -2.609 -16.575 -7.052) 18.201 9.821 ( 1.796 10.676 -10.682) 15.209 9.886 ( -3.159 10.229 -9.424) 14.262 10.586 ( 13.076 -12.418 -9.587) 20.423 10.625 ( 5.811 -5.552 -17.033) 18.834 10.898 ( -6.921 -6.686 -10.388) 14.160 11.105 ( -4.960 -1.205 6.153) 7.995 11.911 ( 0.968 -3.134 25.591) 25.801 12.454 ( 2.965 -2.092 -18.013) 18.375 12.740 ( 1.825 7.720 14.736) 16.736 13.029 ( -2.787 -4.880 2.348) 6.091 13.281 ( -1.227 1.904 15.736) 15.898 13.625 ( 2.349 3.445 3.817) 5.653 14.094 ( -8.008 1.995 -1.255) 8.348 14.414 ( -2.227 11.029 -0.418) 11.259 15.188 ( 1.736 -5.819 0.226) 6.077 15.599 ( 1.612 -3.827 8.672) 9.615 16.218 ( -3.648 -13.625 -14.677) 20.356 17.194 ( 10.574 2.501 -7.921) 13.446 17.505 ( -6.787 4.337 -1.022) 8.119 18.356 ( 0.262 3.807 28.865) 29.116 22.022 ( 0.545 -1.410 3.118) 3.465 24.920 ( 0.060 -1.163 12.847) 12.900 26.437 ( 0.206 1.979 4.060) 4.522 28.775 ( 1.410 -1.733 -5.585) 6.015 29.441 ( 13.128 -9.458 -4.738) 16.860 30.362 ( -15.219 -4.282 0.860) 15.834 31.457 ( 0.995 18.720 -3.048) 18.993 ======================= Grid point 156 (60/216) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 0.000 30.686 15.370) 34.320 3.293 ( 0.000 48.925 -9.418) 49.823 4.839 ( 0.000 42.342 20.996) 47.262 4.992 ( -0.000 -26.960 -9.541) 28.599 6.204 ( -0.000 -19.928 -2.812) 20.126 6.523 ( -0.000 -8.628 -0.409) 8.638 6.759 ( 0.000 1.629 -4.575) 4.857 7.988 ( -0.000 -25.131 -4.851) 25.594 9.288 ( -0.000 -7.985 -7.095) 10.681 9.644 ( 0.000 5.130 0.922) 5.212 9.721 ( 0.000 7.758 -26.901) 27.998 10.664 ( 0.000 3.090 -10.259) 10.714 10.813 ( -0.000 -0.878 -4.439) 4.525 11.066 ( -0.000 -20.450 -6.930) 21.593 11.135 ( -0.000 -4.159 -4.244) 5.943 11.966 ( 0.000 0.610 29.600) 29.606 12.493 ( -0.000 -0.278 -14.111) 14.114 12.685 ( -0.000 -3.777 14.762) 15.237 13.092 ( -0.000 -4.221 1.218) 4.393 13.220 ( 0.000 4.765 15.017) 15.755 13.567 ( 0.000 4.637 8.200) 9.420 14.034 ( 0.000 0.537 -0.629) 0.827 14.284 ( 0.000 1.990 -0.907) 2.187 15.282 ( -0.000 -4.064 -1.692) 4.402 15.660 ( -0.000 -2.602 8.103) 8.510 16.403 ( -0.000 -9.726 -17.006) 19.591 17.245 ( 0.000 0.305 -9.205) 9.210 17.307 ( 0.000 12.853 0.469) 12.861 18.285 ( 0.000 4.269 29.924) 30.227 22.043 ( -0.000 -0.491 1.476) 1.556 24.951 ( -0.000 -2.611 15.581) 15.799 26.402 ( 0.000 2.108 4.433) 4.909 28.762 ( 0.000 3.279 -6.229) 7.040 29.742 ( -0.000 -13.015 -7.772) 15.158 30.301 ( -0.000 -1.358 1.370) 1.929 31.156 ( 0.000 16.794 -2.158) 16.932 ======================= Grid point 161 (61/216) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 31.904 -0.000 20.179) 37.750 2.607 ( 41.967 -0.000 1.275) 41.987 4.223 ( 39.799 -0.000 15.940) 42.873 5.438 ( -32.177 0.000 4.740) 32.524 6.543 ( 5.099 -0.000 -12.944) 13.912 6.855 ( 9.875 -0.000 -16.226) 18.995 7.263 ( -1.377 0.000 -10.119) 10.213 8.596 ( -6.568 0.000 -4.587) 8.011 8.644 ( -19.303 0.000 -24.848) 31.465 9.366 ( -15.866 0.000 0.917) 15.893 9.835 ( -6.633 0.000 7.480) 9.997 10.154 ( 2.966 -0.000 -1.352) 3.259 10.715 ( -7.030 0.000 -16.488) 17.924 11.426 ( 10.106 -0.000 0.915) 10.147 11.680 ( 7.154 -0.000 -7.658) 10.479 11.897 ( -7.177 0.000 18.988) 20.299 12.243 ( 8.854 -0.000 1.066) 8.917 12.595 ( -8.116 0.000 10.082) 12.943 13.460 ( 10.670 -0.000 10.249) 14.795 13.718 ( -13.434 0.000 -18.286) 22.690 13.885 ( 12.517 -0.000 12.675) 17.814 14.189 ( -0.416 0.000 -7.455) 7.467 14.962 ( -11.695 0.000 0.916) 11.731 15.029 ( -9.959 0.000 2.051) 10.168 15.339 ( -11.701 0.000 5.340) 12.862 15.765 ( -1.809 0.000 4.842) 5.169 16.707 ( 2.223 -0.000 -8.528) 8.813 16.981 ( -5.236 0.000 30.356) 30.804 18.920 ( 19.910 -0.000 -3.908) 20.290 21.390 ( 1.005 -0.000 3.073) 3.233 25.044 ( -5.864 0.000 24.469) 25.162 26.307 ( 0.306 -0.000 4.939) 4.948 27.246 ( 3.823 -0.000 1.307) 4.041 29.024 ( 9.679 -0.000 -1.387) 9.778 30.326 ( -2.990 0.000 2.158) 3.687 33.156 ( 0.212 -0.000 -19.086) 19.087 ======================= Grid point 162 (62/216) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 27.920 -9.212 15.550) 33.259 3.108 ( 38.655 -11.069 -2.917) 40.314 4.553 ( 19.574 -2.261 10.391) 22.276 5.078 ( -32.507 3.776 7.666) 33.611 6.517 ( 9.406 8.410 -9.686) 15.907 6.942 ( 12.436 1.523 -9.402) 15.664 7.345 ( -4.528 -8.620 -9.416) 13.545 8.281 ( -12.464 17.551 -14.795) 26.120 8.525 ( -4.210 5.101 -15.528) 16.878 9.291 ( -13.794 -7.268 -1.600) 15.674 9.783 ( -6.550 -2.059 10.279) 12.361 10.220 ( 3.053 -3.121 0.659) 4.416 10.691 ( -5.401 -3.764 -19.871) 20.933 11.367 ( 5.678 15.413 6.031) 17.498 11.570 ( 1.259 8.328 -0.144) 8.424 12.016 ( -2.155 -10.457 8.169) 13.444 12.313 ( 7.275 1.015 -4.368) 8.546 12.572 ( -6.541 -5.344 5.023) 9.827 13.382 ( 1.266 9.972 -0.328) 10.057 13.761 ( 0.689 0.238 -3.989) 4.055 13.924 ( 5.449 -3.450 9.409) 11.407 14.251 ( 3.378 1.393 -1.746) 4.050 14.612 ( -7.477 17.527 1.982) 19.158 14.959 ( -16.821 -7.044 0.387) 18.240 15.257 ( -6.290 -3.128 5.119) 8.692 16.074 ( -2.494 -27.760 2.547) 27.988 16.492 ( -1.250 17.901 5.718) 18.834 17.128 ( -0.937 -13.445 15.444) 20.498 18.955 ( 16.528 15.423 -2.099) 22.704 21.502 ( 0.027 -10.572 2.563) 10.878 24.983 ( -3.050 1.669 19.344) 19.654 26.338 ( 0.432 -2.901 4.842) 5.662 27.392 ( 1.926 -12.493 0.520) 12.651 29.116 ( 8.755 -0.028 -2.024) 8.986 30.311 ( -3.350 -1.582 2.596) 4.524 33.041 ( 0.377 12.316 -14.025) 18.669 ======================= Grid point 163 (63/216) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( 15.982 -8.507 10.210) 20.785 3.672 ( 30.031 -14.640 -10.489) 35.018 4.646 ( -6.862 -3.575 18.509) 20.062 4.767 ( -14.610 3.453 5.266) 15.910 6.452 ( 4.439 9.731 -4.754) 11.705 7.034 ( 15.795 3.694 -5.433) 17.106 7.383 ( -2.163 4.344 -13.598) 14.438 7.892 ( -12.572 7.329 -17.117) 22.467 8.410 ( 0.915 7.463 -6.239) 9.771 9.318 ( -10.097 -9.799 -6.417) 15.464 9.803 ( -2.547 -5.815 10.053) 11.890 10.295 ( 1.132 -3.080 2.755) 4.284 10.702 ( -2.920 -1.595 -16.343) 16.678 11.115 ( 4.405 17.528 10.559) 20.931 11.487 ( 0.194 3.727 -8.688) 9.456 12.110 ( -0.676 -2.700 6.578) 7.143 12.322 ( -0.529 2.657 -12.054) 12.355 12.642 ( -2.284 -7.577 1.936) 8.148 13.244 ( 0.739 6.886 3.286) 7.665 13.654 ( 5.256 12.697 7.060) 15.449 13.947 ( -3.299 16.307 2.517) 16.827 14.157 ( 0.192 -9.137 6.338) 11.122 14.556 ( 1.963 -4.724 -1.505) 5.332 14.955 ( -14.214 -10.940 -6.570) 19.102 15.295 ( -5.435 -7.479 6.470) 11.284 16.105 ( -1.399 20.095 8.418) 21.831 16.579 ( -0.862 -26.832 2.512) 26.963 17.322 ( 0.015 -9.149 8.075) 12.203 18.787 ( 10.845 18.224 3.742) 21.534 21.688 ( -0.461 -10.611 2.782) 10.980 24.936 ( -1.315 1.345 15.259) 15.374 26.399 ( 0.851 -3.133 4.480) 5.533 27.676 ( 0.271 -19.189 -0.981) 19.216 29.187 ( 6.623 0.651 -2.473) 7.100 30.307 ( -4.327 -2.165 2.832) 5.607 32.788 ( 2.165 18.205 -9.929) 20.849 ======================= Grid point 164 (64/216) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -0.327 -3.170 7.410) 8.066 4.159 ( 15.639 -15.979 -11.407) 25.101 4.492 ( -14.087 5.553 4.271) 15.733 4.856 ( 9.127 -12.443 23.389) 28.021 6.239 ( -7.141 12.524 -3.929) 14.943 7.014 ( 2.928 24.074 -21.454) 32.379 7.155 ( 9.591 6.770 -6.692) 13.513 7.945 ( -3.808 -15.877 -9.170) 18.726 8.244 ( -3.655 10.205 2.561) 11.139 9.436 ( -5.102 -12.817 -9.148) 16.553 9.925 ( 1.918 -8.496 4.536) 9.820 10.340 ( -2.958 -2.993 0.120) 4.210 10.696 ( 6.078 4.295 -6.722) 10.029 10.898 ( 6.127 12.636 8.997) 16.678 11.393 ( -7.572 4.687 -10.743) 13.954 12.109 ( 2.307 4.975 -6.113) 8.212 12.249 ( -5.167 -0.755 -9.118) 10.507 12.751 ( -1.274 -6.593 2.645) 7.217 13.174 ( 5.689 5.404 10.963) 13.482 13.444 ( 0.104 12.877 9.298) 15.884 13.749 ( -0.534 4.904 2.010) 5.327 14.243 ( -5.100 -1.799 3.899) 6.667 14.686 ( 1.798 -8.598 0.277) 8.788 15.044 ( -3.341 -7.622 -12.214) 14.779 15.384 ( -5.382 -8.222 6.564) 11.818 15.771 ( -3.223 13.718 10.770) 17.736 16.989 ( 3.525 -19.068 0.647) 19.402 17.422 ( -1.644 -3.528 0.754) 3.965 18.598 ( 5.194 12.313 12.690) 18.429 21.836 ( -0.265 -7.267 3.463) 8.054 24.911 ( -0.502 0.635 12.823) 12.849 26.451 ( 0.958 -1.847 4.059) 4.561 28.029 ( 0.481 -21.639 -2.707) 21.813 29.225 ( 4.425 0.969 -2.788) 5.319 30.296 ( -5.325 -2.038 2.875) 6.385 32.483 ( 2.854 20.611 -7.204) 22.019 ======================= Grid point 165 (65/216) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( -1.888 -9.713 10.838) 14.675 4.150 ( -9.146 10.759 1.489) 14.200 4.649 ( 6.347 -19.689 -2.004) 20.783 5.093 ( 8.907 1.897 10.014) 13.536 5.951 ( -8.650 10.312 -5.780) 14.648 6.683 ( 4.442 11.354 -19.692) 23.161 7.125 ( 1.509 6.219 -4.306) 7.713 7.864 ( 1.873 23.107 12.891) 26.525 8.336 ( -5.767 -24.291 -10.572) 27.112 9.643 ( -1.639 -14.902 -7.547) 16.785 10.107 ( 5.400 -8.080 -5.903) 11.370 10.320 ( -7.048 1.158 -5.640) 9.101 10.617 ( 7.741 9.924 1.584) 12.686 10.890 ( 12.131 1.110 2.478) 12.431 11.183 ( -13.903 6.076 -6.547) 16.525 11.984 ( -0.985 7.800 -1.492) 8.002 12.301 ( 0.305 -6.027 -13.462) 14.753 12.839 ( -1.301 -5.583 4.244) 7.132 13.114 ( 7.244 11.475 10.782) 17.332 13.297 ( -3.858 1.333 14.323) 14.893 13.709 ( 1.807 1.557 -1.237) 2.687 14.164 ( -6.908 2.301 3.953) 8.285 14.824 ( 1.310 -1.635 -4.614) 5.068 15.043 ( 0.818 5.180 -2.164) 5.673 15.447 ( -0.758 -4.740 9.222) 10.396 15.711 ( -4.585 -10.990 -0.207) 11.910 17.264 ( 9.287 -4.719 -2.979) 10.834 17.430 ( -7.216 -4.266 -3.188) 8.968 18.481 ( 1.540 5.688 21.658) 22.445 21.932 ( 0.012 -4.407 3.862) 5.859 24.903 ( -0.139 0.029 11.725) 11.726 26.476 ( 0.555 -0.113 3.806) 3.848 28.395 ( 1.082 -19.812 -4.297) 20.302 29.253 ( 2.885 -0.797 -3.167) 4.357 30.274 ( -5.018 -1.444 2.763) 5.908 32.151 ( 1.934 21.304 -5.431) 22.070 ======================= Grid point 166 (66/216) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 0.000 10.664 10.527) 14.985 4.080 ( -0.000 -15.779 6.575) 17.094 4.734 ( 0.000 27.811 3.888) 28.082 5.100 ( -0.000 -13.841 -12.578) 18.703 5.812 ( 0.000 0.433 -8.729) 8.740 6.694 ( -0.000 -0.743 0.077) 0.747 6.992 ( 0.000 8.371 -5.303) 9.910 7.500 ( 0.000 14.224 12.774) 19.118 8.714 ( -0.000 -22.572 -9.412) 24.456 9.857 ( -0.000 -8.454 -5.476) 10.072 10.109 ( 0.000 15.469 -4.064) 15.994 10.326 ( -0.000 -13.531 -20.957) 24.946 10.620 ( -0.000 -4.515 -6.732) 8.106 10.906 ( 0.000 8.044 -5.755) 9.891 11.051 ( -0.000 -2.367 5.803) 6.267 11.890 ( 0.000 1.839 14.244) 14.362 12.405 ( -0.000 -5.108 -18.596) 19.285 12.915 ( 0.000 1.064 6.167) 6.258 12.947 ( 0.000 5.692 10.248) 11.722 13.281 ( -0.000 -0.248 16.751) 16.753 13.694 ( 0.000 2.390 -2.052) 3.150 14.083 ( 0.000 2.194 2.964) 3.688 14.651 ( 0.000 16.362 -3.649) 16.764 15.087 ( -0.000 -6.611 3.068) 7.288 15.534 ( -0.000 -4.858 9.357) 10.543 15.939 ( -0.000 -16.354 -10.754) 19.573 17.295 ( 0.000 3.650 -9.422) 10.104 17.480 ( -0.000 -3.575 0.270) 3.585 18.417 ( 0.000 3.352 26.855) 27.063 21.991 ( -0.000 -2.616 3.756) 4.577 24.906 ( -0.000 -0.502 11.724) 11.735 26.467 ( 0.000 1.326 3.818) 4.041 28.677 ( -0.000 -11.552 -5.269) 12.697 29.333 ( -0.000 -7.261 -4.151) 8.363 30.262 ( -0.000 -0.905 2.487) 2.647 31.802 ( 0.000 20.840 -4.148) 21.249 ======================= Grid point 173 (67/216) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 29.362 -0.000 16.338) 33.601 3.396 ( 38.570 -0.000 -1.749) 38.609 4.690 ( 8.079 -0.000 -0.868) 8.126 4.774 ( -34.451 0.000 10.570) 36.036 6.655 ( 2.447 -0.000 -3.909) 4.612 6.999 ( 3.890 -0.000 -12.523) 13.113 7.337 ( 12.971 -0.000 -3.176) 13.354 8.359 ( -9.130 0.000 -25.411) 27.002 8.508 ( -3.861 0.000 -7.327) 8.282 9.091 ( -12.192 0.000 -3.104) 12.581 9.674 ( -8.766 0.000 14.247) 16.728 10.250 ( 5.884 -0.000 -1.462) 6.063 10.600 ( -5.090 0.000 -23.908) 24.444 11.540 ( 2.227 -0.000 1.193) 2.526 11.721 ( -9.998 0.000 21.756) 23.943 11.838 ( 8.829 -0.000 1.564) 8.966 12.405 ( 7.418 -0.000 -10.910) 13.193 12.458 ( -5.725 0.000 2.085) 6.093 13.504 ( -8.090 0.000 -12.741) 15.093 13.658 ( 9.283 -0.000 8.273) 12.434 14.103 ( 9.743 -0.000 10.626) 14.417 14.195 ( 0.594 -0.000 -7.970) 7.992 14.695 ( -15.028 0.000 2.960) 15.317 14.851 ( -7.845 0.000 2.357) 8.191 15.138 ( -8.540 0.000 7.330) 11.254 15.737 ( -1.123 0.000 5.033) 5.157 16.748 ( 1.866 -0.000 -7.427) 7.658 16.905 ( -2.662 0.000 29.206) 29.327 19.253 ( 13.689 -0.000 -4.795) 14.505 21.406 ( 0.600 -0.000 2.729) 2.794 24.971 ( -2.297 0.000 18.059) 18.204 26.313 ( 0.269 -0.000 4.885) 4.893 27.317 ( 3.231 -0.000 0.822) 3.333 29.200 ( 7.852 -0.000 -2.465) 8.230 30.271 ( -2.446 0.000 3.140) 3.980 33.130 ( -2.113 0.000 -12.465) 12.643 ======================= Grid point 174 (68/216) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 23.947 -1.378 12.848) 27.211 3.802 ( 30.708 -5.266 -4.881) 31.536 4.441 ( -25.450 -0.863 15.141) 29.626 4.710 ( -6.556 -0.363 -3.963) 7.670 6.595 ( -2.486 6.373 1.332) 6.969 7.105 ( 2.032 -8.119 -11.930) 14.573 7.454 ( 17.180 4.205 -2.795) 17.906 8.087 ( -6.770 19.848 -24.054) 31.912 8.489 ( -1.930 0.767 -8.490) 8.740 9.065 ( -8.738 -8.392 -5.578) 13.337 9.646 ( -6.105 -5.597 16.230) 18.221 10.302 ( 3.794 0.056 -1.598) 4.117 10.605 ( -3.130 -5.149 -22.755) 23.539 11.420 ( 1.650 13.380 11.148) 17.494 11.571 ( -2.597 5.426 3.804) 7.117 12.004 ( 1.396 -7.013 11.014) 13.131 12.375 ( -1.856 3.270 -12.063) 12.635 12.526 ( 2.542 -5.454 -4.987) 7.815 13.353 ( -2.699 7.180 -5.356) 9.355 13.795 ( 2.650 -1.240 -0.215) 2.934 14.073 ( 8.972 1.935 9.898) 13.498 14.315 ( 2.702 12.029 0.921) 12.363 14.488 ( -5.461 1.141 -1.807) 5.864 14.622 ( -16.184 -2.657 5.326) 17.243 15.160 ( -3.737 -5.562 5.529) 8.687 16.041 ( -1.037 -29.300 3.979) 29.587 16.475 ( -0.510 20.734 7.654) 22.108 17.119 ( -0.119 -14.622 13.213) 19.708 19.207 ( 9.018 16.941 -2.692) 19.380 21.505 ( 0.174 -9.721 2.547) 10.050 24.944 ( -1.172 0.954 15.758) 15.830 26.346 ( 0.296 -3.233 4.729) 5.737 27.433 ( 1.869 -10.312 0.200) 10.482 29.260 ( 5.503 0.726 -2.763) 6.201 30.255 ( -2.165 -0.535 3.436) 4.097 33.028 ( -1.043 9.493 -10.230) 13.994 ======================= Grid point 175 (69/216) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 6.019 7.609 6.462) 11.657 4.068 ( 6.811 -9.203 -1.610) 11.562 4.442 ( -0.363 -2.619 0.145) 2.648 4.680 ( -3.367 -11.119 15.539) 19.401 6.385 ( -5.980 12.687 1.765) 14.137 7.269 ( 7.073 -2.778 -12.178) 14.354 7.509 ( 9.626 14.419 -14.594) 22.662 7.674 ( -8.511 6.479 -16.391) 19.573 8.409 ( -1.218 7.197 -0.571) 7.322 9.184 ( -3.395 -11.946 -9.397) 15.574 9.748 ( -1.858 -10.718 15.585) 19.006 10.311 ( -0.152 0.760 -4.251) 4.321 10.699 ( 1.453 -6.159 -14.289) 15.628 11.222 ( 6.939 14.624 12.504) 20.454 11.426 ( -6.458 7.384 -1.773) 9.968 12.100 ( 0.103 -4.645 6.022) 7.606 12.276 ( -2.509 5.940 -19.979) 20.994 12.641 ( 0.831 -5.768 0.515) 5.851 13.252 ( 0.207 2.691 2.266) 3.524 13.749 ( 4.463 10.468 1.907) 11.538 13.853 ( -4.873 18.627 3.106) 19.503 14.240 ( 5.819 0.782 14.062) 15.238 14.533 ( -4.970 -8.162 1.041) 9.612 14.730 ( -5.479 -18.370 -11.474) 22.341 15.236 ( -1.363 -6.267 6.908) 9.426 16.093 ( -0.124 22.312 9.840) 24.386 16.566 ( -0.376 -30.214 2.767) 30.343 17.322 ( 0.002 -8.804 8.149) 11.997 18.933 ( 3.916 20.543 2.752) 21.094 21.684 ( -0.049 -10.313 2.900) 10.713 24.920 ( -0.388 0.922 13.654) 13.691 26.411 ( 0.329 -3.577 4.348) 5.639 27.689 ( 0.611 -18.112 -1.120) 18.157 29.281 ( 2.667 1.377 -2.905) 4.177 30.244 ( -1.798 -0.454 3.510) 3.970 32.808 ( 0.275 15.773 -8.285) 17.818 ======================= Grid point 176 (70/216) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 0.000 0.874 8.110) 8.157 4.315 ( 0.000 10.968 -4.063) 11.696 4.348 ( -0.000 -18.041 -0.096) 18.041 4.991 ( -0.000 -17.373 20.518) 26.885 6.112 ( 0.000 14.159 -1.359) 14.224 7.058 ( 0.000 28.331 -27.990) 39.826 7.263 ( 0.000 7.009 -6.717) 9.708 7.895 ( -0.000 -22.736 -9.872) 24.786 8.212 ( 0.000 15.740 7.097) 17.266 9.386 ( -0.000 -13.785 -10.063) 17.067 9.946 ( -0.000 -12.348 9.472) 15.563 10.294 ( 0.000 0.351 -6.880) 6.889 10.780 ( 0.000 0.886 -1.473) 1.719 11.055 ( 0.000 9.621 3.523) 10.246 11.219 ( 0.000 9.722 -1.381) 9.819 12.131 ( 0.000 9.071 -16.101) 18.480 12.194 ( -0.000 -6.131 -5.645) 8.334 12.737 ( -0.000 -5.518 4.987) 7.437 13.253 ( -0.000 -1.039 10.260) 10.312 13.435 ( 0.000 19.188 7.736) 20.689 13.736 ( 0.000 1.677 -4.404) 4.712 14.195 ( 0.000 4.413 11.642) 12.450 14.698 ( -0.000 -10.728 0.809) 10.759 14.999 ( -0.000 -13.637 -16.610) 21.491 15.338 ( -0.000 -6.444 8.380) 10.571 15.743 ( 0.000 16.163 11.721) 19.966 17.025 ( -0.000 -23.225 1.396) 23.267 17.403 ( -0.000 -0.844 0.774) 1.146 18.650 ( 0.000 13.817 11.921) 18.249 21.834 ( -0.000 -7.309 3.518) 8.111 24.906 ( 0.000 0.491 12.290) 12.300 26.461 ( -0.000 -1.988 3.974) 4.443 28.037 ( -0.000 -21.876 -2.787) 22.053 29.271 ( 0.000 1.060 -2.991) 3.174 30.240 ( -0.000 -0.385 3.344) 3.366 32.508 ( 0.000 19.616 -6.758) 20.748 ======================= Grid point 186 (71/216) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 26.709 -0.000 14.423) 30.354 4.065 ( 28.494 -0.000 2.821) 28.633 4.150 ( -29.283 0.000 14.306) 32.591 4.601 ( -14.128 0.000 -16.931) 22.051 6.628 ( -2.301 0.000 5.153) 5.644 7.018 ( -0.620 0.000 -9.220) 9.241 7.686 ( 15.904 -0.000 -3.394) 16.262 8.279 ( -0.728 0.000 -27.531) 27.541 8.406 ( -5.952 0.000 -7.482) 9.560 8.913 ( -5.283 0.000 -4.885) 7.195 9.546 ( -3.556 0.000 17.252) 17.615 10.343 ( 2.840 -0.000 -1.275) 3.113 10.519 ( -2.724 0.000 -25.368) 25.513 11.554 ( -0.017 0.000 -2.287) 2.287 11.565 ( -4.744 0.000 21.500) 22.017 11.975 ( 4.116 -0.000 14.975) 15.530 12.382 ( -2.006 0.000 -1.884) 2.753 12.512 ( 3.154 -0.000 -21.711) 21.939 13.404 ( -2.405 0.000 -9.679) 9.973 13.798 ( 4.320 -0.000 2.912) 5.210 14.205 ( 0.296 -0.000 -7.664) 7.669 14.263 ( 7.193 -0.000 9.806) 12.161 14.430 ( -11.158 0.000 6.801) 13.067 14.742 ( -2.984 0.000 2.374) 3.813 15.019 ( -3.393 0.000 9.475) 10.064 15.722 ( -0.390 0.000 5.210) 5.225 16.774 ( 0.709 -0.000 -6.905) 6.941 16.873 ( -0.765 0.000 28.144) 28.155 19.435 ( 4.785 -0.000 -4.525) 6.585 21.413 ( 0.188 -0.000 2.534) 2.541 24.944 ( -0.627 0.000 15.569) 15.582 26.317 ( 0.110 -0.000 4.840) 4.841 27.363 ( 1.275 -0.000 0.547) 1.387 29.309 ( 3.013 -0.000 -2.971) 4.232 30.237 ( -0.952 0.000 3.726) 3.846 33.096 ( -1.069 0.000 -9.774) 9.832 ======================= Grid point 187 (72/216) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( 0.000 11.993 7.895) 14.358 3.955 ( -0.000 -4.440 12.652) 13.408 4.368 ( -0.000 -13.455 18.315) 22.726 4.498 ( 0.000 0.107 -23.299) 23.299 6.542 ( 0.000 8.295 5.046) 9.709 7.117 ( -0.000 -11.094 -10.231) 15.092 7.695 ( 0.000 7.373 -3.137) 8.013 8.017 ( 0.000 22.726 -26.170) 34.661 8.446 ( -0.000 -1.593 -6.963) 7.142 8.978 ( -0.000 -9.551 -6.957) 11.816 9.584 ( -0.000 -6.448 17.828) 18.959 10.337 ( 0.000 1.711 -3.918) 4.275 10.577 ( -0.000 -7.208 -20.938) 22.144 11.462 ( 0.000 8.693 19.223) 21.097 11.504 ( 0.000 5.599 -2.010) 5.949 12.030 ( -0.000 -3.573 14.074) 14.520 12.342 ( 0.000 3.285 -13.209) 13.612 12.566 ( -0.000 -3.974 -11.686) 12.343 13.322 ( 0.000 5.838 -5.771) 8.209 13.827 ( 0.000 1.220 0.712) 1.413 14.248 ( 0.000 15.871 10.457) 19.006 14.289 ( -0.000 -10.343 -6.534) 12.234 14.407 ( 0.000 17.531 14.970) 23.053 14.450 ( -0.000 -11.417 -4.284) 12.194 15.122 ( -0.000 -6.799 6.049) 9.100 16.031 ( -0.000 -29.914 4.499) 30.250 16.471 ( 0.000 21.661 8.141) 23.140 17.119 ( -0.000 -14.854 12.421) 19.362 19.295 ( 0.000 17.411 -2.670) 17.614 21.507 ( -0.000 -9.534 2.511) 9.859 24.933 ( 0.000 0.785 14.713) 14.733 26.349 ( -0.000 -3.359 4.686) 5.766 27.453 ( -0.000 -9.816 0.075) 9.816 29.315 ( 0.000 0.953 -3.007) 3.155 30.233 ( -0.000 -0.076 3.756) 3.756 33.016 ( 0.000 8.629 -9.082) 12.527 ======================= Grid point 250 (73/216) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 0.000 0.000 43.576) 43.576 2.018 ( 0.000 0.000 49.858) 49.858 3.073 ( 0.000 0.000 72.029) 72.029 5.607 ( 0.000 0.000 -26.987) 26.987 6.348 ( 0.000 0.000 -45.927) 45.927 6.370 ( 0.000 0.000 -24.883) 24.883 6.572 ( 0.000 0.000 -5.886) 5.886 9.122 ( 0.000 0.000 -41.085) 41.085 9.186 ( 0.000 0.000 -7.793) 7.793 9.502 ( 0.000 0.000 -21.843) 21.843 9.555 ( 0.000 0.000 -15.424) 15.424 10.684 ( 0.000 0.000 -6.725) 6.725 11.060 ( 0.000 0.000 23.362) 23.362 11.229 ( 0.000 0.000 13.962) 13.962 11.545 ( 0.000 0.000 24.993) 24.993 11.961 ( 0.000 0.000 -5.315) 5.315 12.067 ( 0.000 0.000 10.037) 10.037 13.267 ( 0.000 0.000 -1.716) 1.716 13.410 ( 0.000 0.000 7.864) 7.864 13.489 ( 0.000 0.000 14.264) 14.264 13.893 ( 0.000 0.000 -2.394) 2.394 14.497 ( 0.000 0.000 -7.833) 7.833 15.300 ( 0.000 0.000 -1.229) 1.229 15.303 ( 0.000 0.000 1.134) 1.134 15.900 ( 0.000 0.000 9.346) 9.346 16.259 ( 0.000 0.000 5.298) 5.298 16.354 ( 0.000 0.000 -15.800) 15.800 16.491 ( 0.000 0.000 6.066) 6.066 19.301 ( 0.000 0.000 17.429) 17.429 21.417 ( 0.000 0.000 2.989) 2.989 26.433 ( 0.000 0.000 8.794) 8.794 27.190 ( 0.000 0.000 -2.482) 2.482 27.198 ( 0.000 0.000 6.365) 6.365 29.635 ( 0.000 0.000 -10.611) 10.611 30.433 ( 0.000 0.000 -0.077) 0.077 30.460 ( 0.000 0.000 -0.343) 0.343 ======================= Grid point 251 (74/216) ======================= q-point: ( 0.09 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 10.811 -12.543 39.324) 42.668 2.148 ( 5.960 -8.350 46.255) 47.379 3.303 ( 11.304 -24.596 65.745) 71.100 5.504 ( 3.594 13.820 -31.997) 35.039 6.144 ( -3.331 4.988 -25.032) 25.740 6.539 ( -7.094 -5.454 -14.374) 16.932 6.742 ( 8.818 -15.064 -26.395) 31.645 8.779 ( -8.387 23.774 -29.961) 39.156 9.006 ( -6.715 13.914 -8.568) 17.667 9.590 ( 0.757 -1.692 -15.023) 15.137 9.719 ( 3.245 -12.387 -26.683) 29.596 10.678 ( -9.563 0.596 2.508) 9.904 10.812 ( -9.197 11.279 9.740) 17.512 11.158 ( 11.417 12.688 8.687) 19.152 11.630 ( -9.795 -10.172 18.781) 23.497 12.046 ( 0.459 -1.326 10.721) 10.812 12.168 ( 10.739 -9.128 2.550) 14.323 13.236 ( -2.242 2.201 -0.933) 3.278 13.345 ( -5.572 2.644 8.770) 10.721 13.482 ( 7.803 6.190 7.856) 12.685 13.921 ( -2.483 -3.932 6.556) 8.038 14.337 ( -4.133 11.607 -5.870) 13.648 15.015 ( 1.541 26.159 6.609) 27.025 15.309 ( -1.909 1.438 -1.998) 3.115 15.877 ( -3.633 -1.596 9.622) 10.408 16.274 ( -2.504 -1.196 -9.548) 9.943 16.420 ( 1.446 -14.066 2.011) 14.283 16.760 ( 12.425 -10.697 -4.303) 16.951 19.098 ( -7.976 12.807 26.827) 30.779 21.582 ( -0.920 -15.414 -2.247) 15.604 26.262 ( -5.779 29.051 18.213) 34.772 26.545 ( -3.221 9.639 14.890) 18.028 27.823 ( -11.214 -33.104 -11.350) 36.748 29.359 ( -42.938 -6.217 0.811) 43.393 30.455 ( 1.159 -2.556 -0.435) 2.840 30.887 ( 59.926 3.315 -16.932) 62.360 ======================= Grid point 252 (75/216) ======================= q-point: ( 0.18 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 7.702 -17.627 33.564) 38.685 2.503 ( 19.131 -19.368 34.059) 43.602 4.054 ( 17.701 -40.987 47.531) 65.211 5.266 ( 5.407 17.103 -32.287) 36.935 6.086 ( -6.134 -1.548 -13.494) 14.903 6.523 ( -6.050 0.307 -13.020) 14.360 7.053 ( 10.037 -8.328 -19.301) 23.294 8.309 ( -10.142 19.539 -20.332) 29.968 8.684 ( -11.162 10.723 -13.371) 20.454 9.574 ( 1.469 5.074 -11.905) 13.025 9.873 ( 1.939 -1.833 -22.307) 22.466 10.423 ( -12.331 6.678 1.210) 14.075 10.693 ( -1.068 4.154 3.336) 5.434 11.083 ( -0.097 3.512 1.035) 3.663 11.616 ( -2.819 3.568 4.986) 6.748 12.077 ( -4.750 -3.620 15.604) 16.708 12.367 ( 4.956 -2.640 3.337) 6.532 13.183 ( -2.177 0.208 0.842) 2.344 13.233 ( -4.403 4.544 9.412) 11.342 13.449 ( 5.565 4.538 4.835) 8.657 13.905 ( -1.056 3.344 9.732) 10.345 14.238 ( 8.070 1.237 1.379) 8.280 14.581 ( 0.402 22.734 6.433) 23.630 15.242 ( -4.269 2.731 -3.645) 6.243 15.906 ( -0.882 -2.287 8.823) 9.157 16.274 ( 0.143 -0.963 -10.441) 10.487 16.659 ( -3.867 -10.747 2.073) 11.608 17.021 ( 8.955 -9.922 -6.872) 15.029 18.884 ( -4.957 3.594 33.478) 34.033 21.809 ( -2.210 -12.201 -3.897) 12.997 25.736 ( -6.297 20.245 27.625) 34.823 26.504 ( -0.020 -0.377 10.534) 10.541 28.146 ( -13.339 -20.888 -11.964) 27.521 29.143 ( -25.836 -6.936 1.956) 26.822 30.532 ( 0.188 -5.532 -0.624) 5.570 31.272 ( 44.911 11.515 -18.856) 50.051 ======================= Grid point 253 (76/216) ======================= q-point: ( 0.27 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 12.783 -29.458 14.299) 35.152 3.066 ( 19.488 -23.148 25.677) 39.686 4.790 ( 8.830 -19.967 14.856) 26.408 5.132 ( 9.480 1.163 -9.355) 13.369 6.005 ( -14.070 2.093 -1.195) 14.275 6.439 ( 1.109 2.172 -11.124) 11.388 7.121 ( 9.239 13.886 -5.493) 17.560 7.966 ( -9.205 8.388 -10.650) 16.386 8.541 ( -12.868 -8.976 -24.993) 29.509 9.469 ( 4.083 9.192 -9.448) 13.799 9.860 ( 2.812 3.523 -14.175) 14.875 10.248 ( -6.225 5.340 -7.687) 11.241 10.622 ( -2.256 2.681 -3.881) 5.229 10.983 ( -9.646 3.962 2.190) 10.655 11.513 ( 5.206 8.754 -4.231) 11.029 12.018 ( -10.998 2.615 7.494) 13.563 12.373 ( -2.650 -0.316 3.178) 4.150 13.101 ( -4.354 4.947 11.443) 13.205 13.215 ( 4.092 -0.943 5.746) 7.117 13.459 ( 3.672 -0.505 6.872) 7.808 13.863 ( 2.974 3.490 8.995) 10.097 14.226 ( 8.151 11.021 1.776) 13.822 14.437 ( 6.302 -2.625 3.160) 7.523 15.141 ( -6.576 2.671 -4.824) 8.582 15.890 ( -2.117 2.299 9.481) 9.983 16.319 ( 4.271 -1.350 -7.455) 8.697 16.675 ( -10.013 -1.048 -2.413) 10.353 17.293 ( 5.875 -12.505 -4.221) 14.446 18.864 ( -1.022 -3.369 34.802) 34.980 21.950 ( -1.902 -7.098 -1.670) 7.536 25.446 ( -3.374 9.732 25.292) 27.309 26.519 ( 0.482 -0.921 9.594) 9.650 28.314 ( -12.086 -14.395 -10.573) 21.566 29.060 ( -12.566 -4.396 -0.635) 13.328 30.638 ( -0.805 -6.988 -0.916) 7.094 31.408 ( 29.520 13.657 -13.474) 35.207 ======================= Grid point 254 (77/216) ======================= q-point: ( 0.36 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 11.623 -30.129 2.358) 32.379 3.627 ( 15.435 -23.271 17.647) 33.033 4.917 ( 11.732 3.032 -11.568) 16.752 5.216 ( -1.354 8.248 2.664) 8.772 5.742 ( -24.270 3.651 3.814) 24.838 6.595 ( 13.791 0.669 9.408) 16.708 6.865 ( 2.063 6.246 -2.513) 7.042 7.823 ( -3.202 4.861 0.512) 5.843 8.691 ( -11.834 -20.506 -27.938) 36.621 9.363 ( 7.851 10.760 -14.746) 19.871 9.868 ( 5.050 -1.012 -13.332) 14.292 10.108 ( -5.408 3.775 -4.628) 8.057 10.529 ( -3.741 5.140 -9.910) 11.774 10.756 ( -7.484 12.265 0.333) 14.372 11.442 ( 4.418 4.870 -6.334) 9.130 11.800 ( -13.853 6.665 -3.661) 15.803 12.419 ( 0.705 -6.524 7.421) 9.906 12.961 ( -4.118 6.936 13.077) 15.364 13.285 ( 4.576 -2.164 8.136) 9.582 13.497 ( 1.217 0.410 9.967) 10.049 13.829 ( 1.957 2.040 8.896) 9.335 14.225 ( 9.127 -0.225 -6.036) 10.945 14.542 ( 6.909 0.483 0.683) 6.959 15.042 ( -7.148 0.501 -3.216) 7.854 15.816 ( -2.339 3.070 13.485) 14.026 16.377 ( 9.107 2.912 -6.919) 11.802 16.566 ( -14.129 -1.483 -4.696) 14.963 17.523 ( 3.240 -8.940 -2.856) 9.928 18.935 ( 0.385 -4.347 35.403) 35.671 22.023 ( -1.121 -3.457 0.653) 3.692 25.309 ( -1.566 4.325 22.556) 23.020 26.540 ( 0.513 -0.833 8.990) 9.043 28.415 ( -8.520 -9.497 -9.521) 15.920 29.028 ( -5.039 -1.541 -3.205) 6.167 30.742 ( -1.509 -6.334 -1.347) 6.649 31.420 ( 17.535 10.944 -8.651) 22.407 ======================= Grid point 255 (78/216) ======================= q-point: ( 0.45 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( 3.432 -10.603 15.571) 19.148 4.208 ( 12.233 -28.716 -5.126) 31.631 4.769 ( -7.928 23.795 -9.991) 26.997 5.153 ( 24.274 0.568 2.545) 24.413 5.447 ( -28.947 1.123 3.225) 29.148 6.363 ( 0.511 13.738 -2.101) 13.907 7.241 ( 9.648 -22.184 14.336) 28.120 7.645 ( -3.819 13.417 8.894) 16.545 8.935 ( -9.508 -18.454 -20.923) 29.474 9.229 ( 8.596 14.099 -26.935) 31.594 9.987 ( 5.721 -3.560 -10.923) 12.834 10.043 ( -5.580 -3.594 -9.188) 11.334 10.410 ( 4.142 7.338 -5.920) 10.298 10.474 ( -8.864 8.724 -1.301) 12.505 11.434 ( 4.647 1.582 -3.845) 6.236 11.595 ( -9.477 2.539 -12.032) 15.525 12.580 ( 3.964 -8.439 13.048) 16.037 12.790 ( -4.484 7.910 11.007) 14.277 13.362 ( 2.247 -2.357 6.494) 7.264 13.466 ( -0.429 2.478 10.942) 11.228 13.839 ( 0.806 -0.550 9.400) 9.450 14.351 ( 6.821 -3.851 -8.333) 11.437 14.523 ( -0.453 4.486 -5.606) 7.194 15.002 ( -2.632 -0.982 0.664) 2.887 15.762 ( -0.829 1.190 18.444) 18.501 16.382 ( 5.648 4.327 -12.476) 14.362 16.496 ( -7.780 -3.145 -1.475) 8.520 17.648 ( 1.037 -3.151 -2.396) 4.091 18.994 ( 0.271 -1.819 35.865) 35.913 22.052 ( -0.363 -1.004 1.926) 2.202 25.254 ( -0.453 1.227 21.142) 21.183 26.554 ( 0.212 -0.331 8.665) 8.674 28.470 ( -3.098 -3.520 -8.999) 10.148 29.011 ( -1.235 -0.138 -4.711) 4.872 30.810 ( -0.875 -2.731 -1.779) 3.374 31.401 ( 6.050 4.336 -5.922) 9.512 ======================= Grid point 262 (79/216) ======================= q-point: ( 0.09 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 16.687 -0.000 37.587) 41.125 2.147 ( 12.808 -0.000 45.705) 47.466 3.272 ( 24.228 -0.000 66.395) 70.678 5.685 ( 7.262 -0.000 -25.314) 26.335 6.219 ( -9.035 0.000 -36.890) 37.981 6.327 ( -4.279 0.000 -22.779) 23.177 6.708 ( 10.092 -0.000 -14.228) 17.444 8.910 ( -18.078 0.000 -34.262) 38.739 9.021 ( -13.187 0.000 -4.235) 13.850 9.570 ( 4.461 -0.000 -22.220) 22.663 9.625 ( 2.929 -0.000 -17.747) 17.987 10.562 ( -14.435 0.000 2.112) 14.589 10.867 ( -3.979 0.000 6.218) 7.382 11.340 ( -16.271 0.000 17.384) 23.811 11.431 ( 9.771 -0.000 12.473) 15.845 12.082 ( 7.852 -0.000 2.537) 8.252 12.185 ( 10.239 -0.000 14.013) 17.355 13.227 ( -4.617 0.000 1.157) 4.759 13.325 ( -1.768 0.000 5.925) 6.183 13.688 ( 13.355 -0.000 14.689) 19.852 13.777 ( -10.064 0.000 -3.821) 10.765 14.360 ( -11.180 0.000 -6.555) 12.959 15.266 ( -3.746 0.000 1.117) 3.908 15.304 ( -1.113 0.000 -1.204) 1.640 15.838 ( -6.118 0.000 7.807) 9.919 16.070 ( -8.581 0.000 9.112) 12.517 16.382 ( 2.669 -0.000 -13.469) 13.731 16.900 ( 27.716 -0.000 -1.074) 27.737 19.097 ( -16.817 0.000 25.000) 30.130 21.423 ( 0.534 -0.000 2.859) 2.908 26.436 ( 0.247 -0.000 8.906) 8.909 26.695 ( -41.117 0.000 20.960) 46.151 27.208 ( 1.036 -0.000 5.885) 5.976 28.991 ( -20.561 0.000 6.388) 21.531 30.429 ( -0.491 0.000 0.606) 0.780 31.546 ( 58.327 -0.000 -34.865) 67.953 ======================= Grid point 263 (80/216) ======================= q-point: ( 0.18 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 13.806 -5.614 36.132) 39.085 2.417 ( 19.236 -12.808 36.705) 43.374 3.766 ( 34.756 -21.679 52.072) 66.253 5.614 ( 6.224 15.478 -30.619) 34.869 6.038 ( -6.387 3.799 -16.750) 18.325 6.415 ( -4.587 -7.153 -20.824) 22.491 6.930 ( 9.692 -13.112 -19.964) 25.776 8.525 ( -16.300 18.377 -26.511) 36.142 8.782 ( -14.587 12.422 -4.208) 19.616 9.615 ( 0.836 -0.960 -14.473) 14.529 9.753 ( -1.559 -9.814 -23.700) 25.699 10.365 ( -15.857 3.631 6.605) 17.557 10.800 ( 4.721 6.480 -4.802) 9.345 11.155 ( -11.928 4.907 9.711) 16.145 11.543 ( 2.240 -4.791 9.639) 10.994 12.093 ( 3.117 4.500 10.941) 12.234 12.360 ( 7.507 -5.431 9.540) 13.299 13.153 ( -6.741 1.326 3.396) 7.663 13.278 ( -1.016 4.804 5.667) 7.499 13.593 ( 2.572 5.636 -0.970) 6.270 13.905 ( 2.452 -4.023 9.200) 10.337 14.242 ( -3.861 -1.106 -3.282) 5.187 14.992 ( -4.889 23.474 5.388) 24.576 15.264 ( -2.624 2.691 -1.988) 4.252 15.754 ( -8.567 -5.912 8.674) 13.549 16.212 ( -3.164 -9.542 -3.799) 10.747 16.452 ( 1.484 -8.454 -1.401) 8.697 17.118 ( 20.187 3.518 -3.747) 20.831 18.889 ( -9.813 4.696 30.351) 32.242 21.560 ( -1.043 -13.108 -0.175) 13.151 26.006 ( -18.679 23.027 29.016) 41.486 26.487 ( -1.580 -1.565 10.909) 11.134 27.539 ( -12.184 -28.441 0.066) 30.941 28.902 ( -6.426 -3.141 2.825) 7.690 30.449 ( -0.970 -3.064 1.162) 3.417 31.920 ( 40.282 11.867 -32.945) 53.374 ======================= Grid point 264 (81/216) ======================= q-point: ( 0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 19.344 -17.480 21.664) 33.898 2.889 ( 18.913 -19.349 26.843) 38.114 4.510 ( 25.875 -26.231 35.780) 51.360 5.389 ( 6.036 14.959 -27.137) 31.569 5.930 ( -8.425 2.827 -1.711) 9.050 6.466 ( 1.702 -1.255 -16.148) 16.286 7.235 ( 6.943 -9.695 -17.335) 21.040 8.080 ( -12.387 16.619 -18.507) 27.787 8.406 ( -15.617 10.088 -9.184) 20.737 9.617 ( 2.444 2.727 -11.067) 11.657 9.798 ( -10.167 -2.477 -11.774) 15.752 10.265 ( -3.149 -2.987 -11.076) 11.896 10.712 ( 3.245 9.162 -0.865) 9.758 10.965 ( -8.891 4.965 0.879) 10.222 11.599 ( -2.244 -0.707 4.844) 5.385 12.013 ( -0.673 5.597 10.311) 11.751 12.406 ( -0.236 3.973 1.525) 4.262 13.070 ( -8.221 0.343 7.830) 11.358 13.228 ( 2.228 -0.738 5.492) 5.972 13.551 ( 4.702 4.973 1.721) 7.057 13.936 ( 3.838 0.801 3.985) 5.590 14.370 ( 4.267 -9.481 4.162) 11.199 14.544 ( -3.793 20.818 7.145) 22.334 15.167 ( -3.422 5.104 -4.019) 7.342 15.811 ( -8.653 -7.982 6.748) 13.570 16.243 ( -2.880 -0.438 -4.563) 5.414 16.639 ( 1.043 -7.763 3.805) 8.708 17.217 ( 10.391 -0.487 -6.022) 12.020 18.811 ( -1.182 -1.236 31.985) 32.030 21.767 ( -1.878 -11.997 -1.239) 12.207 25.582 ( -8.674 12.550 27.864) 31.767 26.507 ( 0.386 -1.257 9.871) 9.958 27.848 ( -13.315 -23.132 -3.849) 26.967 28.930 ( -0.588 -3.282 -0.490) 3.370 30.507 ( -2.243 -5.391 1.510) 6.031 31.980 ( 27.252 18.005 -23.198) 40.062 ======================= Grid point 265 (82/216) ======================= q-point: ( 0.36 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 19.291 -24.822 4.322) 31.733 3.395 ( 13.747 -21.098 20.176) 32.267 4.990 ( 9.039 -8.779 14.364) 19.107 5.289 ( 3.400 3.324 -11.463) 12.411 5.720 ( -9.328 12.873 1.517) 15.970 6.578 ( 12.120 -7.451 -2.635) 14.469 7.202 ( -3.324 18.942 -3.850) 19.613 7.819 ( -4.210 1.323 -12.287) 13.055 8.281 ( -12.006 -11.029 -20.352) 26.076 9.575 ( 6.414 6.650 -9.861) 13.513 9.745 ( -11.979 -5.811 -7.177) 15.125 10.282 ( 6.287 5.515 -15.213) 17.360 10.570 ( -2.621 7.171 -6.268) 9.879 10.814 ( -6.315 4.545 1.655) 7.954 11.522 ( -5.849 3.681 -3.140) 7.591 11.872 ( -2.029 10.890 3.010) 11.479 12.348 ( 0.121 -1.325 -0.697) 1.502 12.986 ( -6.869 1.097 8.343) 10.862 13.292 ( 3.515 -0.984 12.442) 12.966 13.531 ( 3.664 1.481 5.483) 6.759 13.917 ( 1.466 5.878 7.396) 9.561 14.306 ( 0.369 3.729 -1.772) 4.145 14.569 ( 5.929 -6.386 3.857) 9.529 15.035 ( -3.735 5.697 -4.936) 8.412 15.818 ( -5.217 -0.984 9.208) 10.629 16.219 ( -11.659 -5.234 1.475) 12.865 16.691 ( 8.743 5.748 -3.568) 11.055 17.374 ( 2.579 -9.616 -4.810) 11.057 18.869 ( 1.769 -4.185 33.256) 33.565 21.918 ( -1.321 -7.699 0.107) 7.812 25.371 ( -4.048 6.100 24.249) 25.330 26.534 ( 0.994 -0.956 9.245) 9.347 28.083 ( -9.476 -18.136 -6.026) 21.331 28.980 ( 1.531 -1.783 -2.942) 3.765 30.580 ( -4.460 -6.824 1.553) 8.299 31.884 ( 19.022 19.048 -15.231) 30.930 ======================= Grid point 266 (83/216) ======================= q-point: ( 0.45 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 7.107 -19.280 3.602) 20.862 3.903 ( 14.481 -24.560 7.329) 29.438 5.047 ( -2.217 8.496 2.522) 9.136 5.202 ( -19.145 5.502 10.422) 22.482 5.441 ( 16.701 9.315 -13.739) 23.547 6.651 ( -8.211 21.308 0.236) 22.836 7.014 ( 10.534 -14.801 10.050) 20.761 7.798 ( 1.990 5.101 -1.076) 5.580 8.454 ( -12.115 -21.009 -23.188) 33.554 9.525 ( 8.159 8.434 -16.009) 19.849 9.781 ( -8.937 -10.911 -8.940) 16.699 10.196 ( 8.894 11.936 -5.253) 15.785 10.430 ( -6.156 4.432 -16.619) 18.269 10.675 ( 0.437 8.513 5.025) 9.895 11.397 ( -10.067 1.960 -9.697) 14.114 11.686 ( 3.831 7.972 -5.310) 10.316 12.456 ( 1.695 -8.187 7.039) 10.930 12.884 ( -3.151 5.169 8.732) 10.625 13.304 ( -1.420 0.165 12.805) 12.884 13.552 ( 3.490 1.329 9.538) 10.243 13.838 ( -1.189 1.806 7.462) 7.769 14.328 ( 0.411 -2.488 -7.151) 7.582 14.641 ( 2.761 4.393 -4.342) 6.766 14.958 ( -0.403 -0.757 -0.031) 0.859 15.772 ( -2.090 1.336 15.623) 15.818 16.186 ( -16.438 -6.874 0.292) 17.819 16.676 ( 13.381 7.509 -8.452) 17.518 17.545 ( -0.960 -8.646 -3.110) 9.238 18.957 ( 1.874 -3.519 34.731) 34.960 22.006 ( -0.533 -4.046 1.569) 4.372 25.274 ( -1.907 2.438 21.773) 21.992 26.555 ( 1.054 -0.348 8.761) 8.831 28.285 ( -4.006 -13.530 -7.533) 15.996 29.015 ( 2.402 -0.103 -4.531) 5.129 30.644 ( -7.424 -7.419 1.144) 10.557 31.724 ( 12.888 17.722 -10.031) 24.100 ======================= Grid point 267 (84/216) ======================= q-point: ( 0.55 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.872 ( -1.942 -5.394 14.575) 15.662 4.457 ( 10.852 -21.581 -13.726) 27.783 4.661 ( -2.117 28.241 -2.315) 28.415 4.887 ( -24.239 -0.538 9.474) 26.031 5.681 ( 25.332 -3.567 0.835) 25.596 6.270 ( -7.623 8.055 -4.403) 11.932 7.342 ( -2.663 -11.301 12.996) 17.426 7.627 ( 4.004 14.639 9.268) 17.783 8.715 ( -11.885 -22.749 -20.886) 33.091 9.412 ( 9.234 15.290 -26.203) 31.712 9.948 ( -3.996 -14.528 -14.255) 20.742 10.085 ( 2.231 7.432 -3.678) 8.587 10.286 ( -4.001 5.107 -9.301) 11.340 10.592 ( 9.934 5.376 -0.036) 11.296 11.299 ( -9.879 -3.238 -5.965) 11.986 11.706 ( 12.197 0.319 -10.261) 15.942 12.567 ( -5.898 -3.874 15.758) 17.266 12.806 ( 6.322 2.586 6.860) 9.681 13.274 ( -6.632 -1.392 8.862) 11.156 13.546 ( 3.912 3.340 10.612) 11.793 13.818 ( -2.767 -0.559 7.482) 7.997 14.316 ( -7.908 1.274 -7.642) 11.070 14.554 ( 2.367 5.312 -6.301) 8.574 15.017 ( 3.395 -2.635 0.773) 4.366 15.750 ( -0.359 -0.438 18.534) 18.543 16.149 ( -14.317 -7.026 -4.575) 16.591 16.707 ( 14.278 4.795 -7.977) 17.043 17.629 ( -2.868 -3.141 -2.346) 4.858 19.009 ( 1.158 -0.601 35.686) 35.710 22.050 ( 0.142 -1.514 2.138) 2.624 25.242 ( -0.753 -0.026 20.750) 20.764 26.563 ( 0.723 0.440 8.530) 8.571 28.455 ( 1.442 -7.648 -8.789) 11.740 29.040 ( 3.919 0.190 -5.174) 6.493 30.681 ( -10.669 -7.180 0.175) 12.861 31.542 ( 7.089 15.159 -6.934) 18.115 ======================= Grid point 268 (85/216) ======================= q-point: (-0.36 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( -11.554 15.328 16.323) 25.197 4.017 ( -7.084 36.046 -6.234) 37.261 4.724 ( -12.444 -7.003 -4.853) 15.081 5.021 ( 11.641 -19.265 2.233) 22.620 5.916 ( 11.525 -4.157 4.133) 12.930 6.302 ( 2.286 -10.034 -4.579) 11.264 7.076 ( -7.331 23.853 12.373) 27.853 7.688 ( -0.076 -10.971 8.152) 13.669 8.953 ( -7.283 -13.974 -17.221) 23.343 9.214 ( 7.117 14.775 -31.726) 35.714 9.860 ( -6.722 9.124 -11.641) 16.246 10.183 ( 7.753 -2.605 -12.486) 14.926 10.348 ( -0.609 -15.973 -2.781) 16.225 10.668 ( 8.162 -3.379 -5.745) 10.538 11.315 ( -4.271 -5.493 2.061) 7.257 11.869 ( 14.887 -3.094 -11.618) 19.135 12.494 ( -4.118 2.915 15.195) 16.011 12.906 ( 6.608 -3.866 11.941) 14.185 13.221 ( -8.450 -1.001 5.785) 10.289 13.523 ( 1.383 2.440 11.413) 11.753 13.786 ( -4.364 -0.007 5.680) 7.162 14.170 ( -8.664 4.044 -6.304) 11.453 14.500 ( -2.953 2.329 0.071) 3.762 15.094 ( 5.491 -1.525 -2.411) 6.188 15.785 ( 1.738 -2.809 15.252) 15.606 16.150 ( -11.676 -7.720 -6.927) 15.618 16.783 ( 14.948 3.220 -6.708) 16.698 17.590 ( -4.668 3.449 -2.056) 6.157 18.997 ( 0.498 2.758 35.921) 36.030 22.063 ( 0.667 0.462 1.510) 1.714 25.259 ( 0.056 -2.442 21.089) 21.230 26.555 ( 0.242 1.083 8.635) 8.706 28.555 ( 4.611 -0.247 -10.046) 11.057 29.106 ( 8.820 -1.185 -5.016) 10.216 30.675 ( -13.608 -5.932 -1.224) 14.895 31.351 ( 0.403 11.729 -5.414) 12.924 ======================= Grid point 269 (86/216) ======================= q-point: (-0.27 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( -11.071 28.716 14.401) 33.979 3.334 ( -11.232 32.303 11.148) 35.971 4.766 ( -3.596 -7.448 -15.008) 17.136 5.272 ( 2.818 7.772 15.748) 17.786 6.086 ( 6.283 -5.221 -1.975) 8.405 6.403 ( 1.211 0.268 2.988) 3.235 6.802 ( -5.604 -5.316 -2.397) 8.088 7.882 ( 2.442 -10.789 -0.716) 11.085 8.884 ( 7.025 16.511 -31.309) 36.087 9.241 ( -4.020 -12.211 -15.726) 20.312 9.711 ( -7.512 -1.172 -7.486) 10.669 10.297 ( 10.515 -1.324 -13.329) 17.029 10.565 ( -0.520 -6.650 -8.347) 10.685 10.911 ( 7.434 -16.259 -1.183) 17.917 11.344 ( -4.617 -2.121 4.468) 6.766 12.071 ( 12.072 -4.420 -9.775) 16.149 12.449 ( 3.402 2.364 15.648) 16.187 13.016 ( -0.121 -4.949 15.064) 15.857 13.168 ( -4.222 -1.446 3.796) 5.859 13.475 ( -2.278 3.013 10.126) 10.807 13.763 ( -4.698 -3.450 6.295) 8.579 14.061 ( -5.415 0.140 -3.773) 6.601 14.407 ( -6.170 2.659 5.118) 8.445 15.176 ( 5.610 -1.579 -4.518) 7.374 15.860 ( 2.163 -2.911 12.764) 13.270 16.176 ( -8.738 -7.008 -9.864) 14.925 16.876 ( 14.884 3.470 -5.734) 16.323 17.423 ( -6.836 9.631 -2.100) 11.996 18.937 ( 0.412 4.275 35.666) 35.924 22.045 ( 1.022 2.753 -0.384) 2.961 25.332 ( 0.784 -6.003 22.758) 23.549 26.535 ( -0.089 1.282 9.082) 9.172 28.552 ( 4.416 5.519 -11.147) 13.199 29.260 ( 18.477 -1.388 -5.247) 19.257 30.615 ( -16.170 -3.946 -2.476) 16.828 31.148 ( -7.476 8.495 -5.041) 12.388 ======================= Grid point 270 (87/216) ======================= q-point: (-0.18 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -2.160 29.399 22.779) 37.254 2.726 ( -12.658 26.062 27.312) 39.817 4.698 ( -1.206 40.465 34.089) 52.924 4.969 ( -5.791 -9.896 -21.998) 24.807 6.174 ( 3.522 1.367 -15.138) 15.602 6.526 ( 7.232 -6.194 -7.689) 12.239 6.924 ( -8.815 -11.582 -5.127) 15.432 8.111 ( 4.521 -12.815 -12.638) 18.558 8.724 ( 5.137 6.750 -27.836) 29.099 9.423 ( -0.835 -11.108 -12.723) 16.910 9.753 ( -4.537 -9.136 -7.544) 12.687 10.432 ( 9.216 -3.461 -12.643) 16.023 10.617 ( -3.185 -3.869 -1.671) 5.283 11.143 ( 5.363 4.652 4.361) 8.332 11.414 ( -3.345 -17.552 -0.295) 17.870 12.217 ( 8.348 -0.119 -1.439) 8.472 12.401 ( -1.393 6.871 15.784) 17.271 13.108 ( -1.654 -8.123 6.878) 10.771 13.209 ( 2.583 -4.060 8.316) 9.608 13.389 ( -3.147 3.194 6.539) 7.928 13.829 ( -0.493 -7.325 12.697) 14.667 14.052 ( -6.790 -4.888 -0.734) 8.399 14.354 ( -2.216 -4.157 4.416) 6.457 15.249 ( 3.495 -1.707 -4.544) 5.982 15.900 ( -0.610 -0.732 12.404) 12.441 16.221 ( -3.083 -4.960 -13.004) 14.255 16.923 ( 12.855 8.445 -3.853) 15.856 17.145 ( -9.422 12.893 -3.353) 16.317 18.889 ( 0.984 1.243 35.018) 35.053 21.981 ( 0.993 6.325 -3.288) 7.197 25.493 ( 1.278 -12.438 25.414) 28.323 26.514 ( -0.106 0.935 9.807) 9.852 28.460 ( 2.988 9.570 -12.509) 16.030 29.508 ( 28.393 -0.736 -8.076) 29.528 30.495 ( -20.092 -2.607 -2.591) 20.426 30.908 ( -12.351 8.441 -4.286) 15.562 ======================= Grid point 271 (88/216) ======================= q-point: (-0.09 0.09 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.000 23.218 34.944) 41.954 2.275 ( 0.000 13.509 41.059) 43.225 3.881 ( 0.000 46.584 52.398) 70.112 5.209 ( -0.000 -17.336 -33.667) 37.868 6.147 ( 0.000 2.300 -19.600) 19.734 6.613 ( 0.000 0.267 -6.215) 6.221 6.926 ( 0.000 7.181 -23.866) 24.923 8.419 ( -0.000 -21.023 -22.939) 31.116 8.796 ( -0.000 -11.196 -14.692) 18.472 9.562 ( -0.000 -5.044 -14.258) 15.124 9.832 ( 0.000 0.507 -20.161) 20.168 10.606 ( -0.000 -10.631 1.231) 10.702 10.700 ( -0.000 -9.201 10.960) 14.310 11.026 ( 0.000 6.414 -5.512) 8.457 11.683 ( -0.000 -10.664 8.628) 13.717 12.173 ( 0.000 12.553 22.662) 25.906 12.248 ( 0.000 5.009 -3.813) 6.295 13.201 ( -0.000 -3.535 -0.625) 3.590 13.334 ( -0.000 -0.723 5.532) 5.580 13.349 ( -0.000 -6.710 11.153) 13.016 13.944 ( -0.000 -2.861 16.304) 16.553 14.124 ( -0.000 -11.118 -3.373) 11.619 14.567 ( -0.000 -21.626 5.924) 22.422 15.295 ( -0.000 -1.602 -3.487) 3.837 15.895 ( 0.000 0.108 11.218) 11.218 16.267 ( -0.000 -1.741 -13.039) 13.155 16.731 ( 0.000 20.114 2.076) 20.221 16.910 ( 0.000 9.812 -7.646) 12.439 18.942 ( -0.000 -7.264 32.730) 33.526 21.835 ( 0.000 12.040 -5.516) 13.243 25.800 ( -0.000 -23.688 26.652) 35.657 26.505 ( -0.000 -0.126 10.887) 10.888 28.269 ( 0.000 16.152 -14.773) 21.889 29.734 ( 0.000 0.379 -15.569) 15.573 30.367 ( -0.000 -1.239 0.927) 1.548 30.669 ( 0.000 9.517 -1.578) 9.647 ======================= Grid point 274 (89/216) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 18.365 -0.000 30.839) 35.893 2.488 ( 21.625 -0.000 37.044) 42.895 3.970 ( 41.167 -0.000 45.071) 61.042 5.794 ( -0.991 0.000 -13.923) 13.958 6.087 ( -2.651 0.000 -31.813) 31.924 6.257 ( 0.843 -0.000 -23.160) 23.175 6.906 ( 9.826 -0.000 -13.675) 16.839 8.506 ( -22.455 0.000 -29.936) 37.422 8.760 ( -12.814 0.000 -0.628) 12.829 9.578 ( -8.423 0.000 -12.607) 15.162 9.642 ( 3.095 -0.000 -22.516) 22.727 10.258 ( -12.536 0.000 6.286) 14.024 10.955 ( 10.880 -0.000 -11.396) 15.756 10.999 ( -18.344 0.000 11.713) 21.765 11.559 ( 3.682 -0.000 6.200) 7.211 12.184 ( 2.061 -0.000 6.951) 7.250 12.378 ( 8.361 -0.000 18.460) 20.266 13.072 ( -11.346 0.000 6.490) 13.072 13.379 ( 6.971 -0.000 2.422) 7.380 13.571 ( -10.579 0.000 -9.228) 14.038 13.949 ( 12.804 -0.000 14.747) 19.529 14.158 ( -8.048 0.000 -5.822) 9.933 15.160 ( -7.206 0.000 1.046) 7.281 15.227 ( -6.646 0.000 0.280) 6.652 15.679 ( -9.648 0.000 7.173) 12.022 15.958 ( -3.712 0.000 9.469) 10.170 16.449 ( 3.997 -0.000 -9.949) 10.722 17.360 ( 16.607 -0.000 3.069) 16.888 18.851 ( -4.571 0.000 25.031) 25.445 21.436 ( 0.747 -0.000 2.536) 2.644 25.991 ( -27.975 0.000 32.922) 43.203 26.442 ( 0.331 -0.000 9.115) 9.122 27.239 ( 2.188 -0.000 4.735) 5.216 28.866 ( 2.508 -0.000 0.055) 2.509 30.414 ( -0.993 0.000 2.389) 2.588 32.355 ( 26.843 -0.000 -35.648) 44.624 ======================= Grid point 275 (90/216) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 24.459 -6.215 21.206) 32.963 2.814 ( 21.419 -11.182 28.673) 37.496 4.458 ( 30.531 -12.971 32.953) 46.758 5.626 ( -9.144 10.600 -11.199) 17.928 5.990 ( 6.121 7.376 -14.539) 17.414 6.426 ( 6.985 -7.818 -22.379) 24.713 7.088 ( 5.952 -10.151 -15.367) 19.355 8.176 ( -19.085 11.427 -27.556) 35.414 8.513 ( -11.687 13.880 -0.216) 18.146 9.521 ( -12.826 -5.269 -9.808) 16.984 9.715 ( 0.794 -3.007 -18.234) 18.498 10.169 ( -3.765 -1.533 -1.163) 4.229 10.806 ( -13.747 2.128 3.128) 14.258 11.035 ( 10.284 5.639 -8.262) 14.346 11.566 ( -0.913 1.042 4.005) 4.238 12.136 ( 0.798 5.682 9.318) 10.943 12.449 ( 2.054 0.492 11.215) 11.412 12.971 ( -11.907 -1.580 8.504) 14.717 13.285 ( 0.555 7.236 -1.939) 7.512 13.619 ( 2.076 -3.863 -4.240) 6.100 13.978 ( 3.708 2.214 3.965) 5.863 14.234 ( 2.933 -9.048 4.711) 10.614 14.851 ( -8.696 21.098 4.893) 23.339 15.174 ( -7.503 0.483 -1.980) 7.775 15.574 ( -8.960 -4.590 10.271) 14.382 16.166 ( -1.553 -15.332 1.026) 15.444 16.475 ( 0.995 -1.856 -1.939) 2.863 17.418 ( 9.398 6.325 5.435) 12.565 18.829 ( 4.509 2.299 22.335) 22.902 21.548 ( -0.228 -10.918 1.024) 10.968 25.665 ( -14.696 9.408 29.870) 34.593 26.475 ( -0.035 -2.587 9.587) 9.930 27.411 ( -2.146 -16.155 2.236) 16.449 28.921 ( 5.531 -1.170 -2.043) 6.011 30.423 ( -1.616 -2.320 3.298) 4.344 32.461 ( 17.645 11.460 -28.466) 35.398 ======================= Grid point 276 (91/216) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 25.226 -14.506 6.112) 29.735 3.221 ( 15.998 -14.754 20.124) 29.641 4.885 ( 10.406 -12.044 20.778) 26.174 5.357 ( -12.576 7.731 0.696) 14.779 5.956 ( 15.070 10.438 -8.912) 20.384 6.613 ( 12.719 -3.889 -11.166) 17.366 7.253 ( -5.657 -4.481 -15.173) 16.802 7.821 ( -15.561 8.858 -19.503) 26.476 8.205 ( -1.941 9.173 -6.322) 11.308 9.488 ( -15.473 -6.977 -8.401) 18.938 9.725 ( 3.991 3.056 -9.215) 10.497 10.257 ( 1.713 -7.684 -12.804) 15.031 10.641 ( -11.983 2.956 -2.662) 12.626 10.967 ( 9.942 13.321 -4.350) 17.182 11.498 ( -6.293 2.666 3.223) 7.557 12.049 ( 2.809 7.241 5.449) 9.488 12.377 ( -2.755 5.382 -0.978) 6.125 12.886 ( -10.233 -2.347 7.001) 12.619 13.285 ( 3.256 -3.271 6.679) 8.118 13.632 ( 3.802 4.351 0.379) 5.791 14.018 ( 3.320 2.069 1.858) 4.331 14.332 ( -5.934 2.473 6.487) 9.133 14.534 ( 2.305 1.488 5.261) 5.933 15.071 ( -7.835 2.290 -5.197) 9.677 15.623 ( -8.798 -9.735 10.809) 17.000 16.201 ( -1.002 7.489 -0.203) 7.558 16.656 ( 0.295 -15.767 4.561) 16.416 17.385 ( 6.368 5.368 -1.192) 8.414 18.860 ( 5.870 0.137 25.681) 26.344 21.741 ( -0.746 -11.432 0.400) 11.463 25.428 ( -6.804 6.523 25.646) 27.323 26.518 ( 0.679 -2.051 9.337) 9.584 27.683 ( -4.180 -19.094 -1.349) 19.593 28.995 ( 5.744 -0.796 -3.583) 6.817 30.453 ( -3.148 -3.690 3.851) 6.193 32.357 ( 12.876 17.155 -20.192) 29.458 ======================= Grid point 277 (92/216) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.423 ( 9.718 -14.257 -0.458) 17.260 3.663 ( 17.540 -20.133 9.917) 28.484 4.985 ( -15.616 2.675 9.069) 18.255 5.213 ( 2.195 -2.018 19.585) 19.810 5.857 ( 16.631 18.298 -16.865) 29.930 6.831 ( 10.758 -2.128 -2.141) 11.174 6.983 ( -15.728 14.171 -1.781) 21.245 7.757 ( -4.897 -11.745 -18.920) 22.801 8.173 ( 2.094 -1.124 -8.864) 9.177 9.480 ( -12.890 -9.389 -8.597) 18.117 9.718 ( 6.605 3.944 -10.093) 12.690 10.388 ( 5.001 -2.403 -11.403) 12.681 10.464 ( -8.623 6.117 -9.026) 13.901 10.826 ( 7.070 11.299 -0.768) 13.350 11.373 ( -6.898 4.849 -0.012) 8.432 11.888 ( 1.917 11.937 -5.778) 13.400 12.349 ( -1.583 -4.576 2.340) 5.378 12.860 ( -5.217 -2.782 5.497) 8.073 13.356 ( 3.273 1.457 13.956) 14.408 13.591 ( 2.236 2.835 6.380) 7.331 13.878 ( -5.762 6.879 3.804) 9.746 14.296 ( 0.372 -1.170 -1.413) 1.872 14.645 ( 2.028 -5.131 1.581) 5.739 14.971 ( -4.442 1.330 -6.372) 7.880 15.700 ( -6.049 -7.287 12.627) 15.784 16.030 ( -6.561 6.283 6.536) 11.191 16.869 ( 8.508 -2.675 -1.492) 9.043 17.396 ( -0.245 -3.846 -5.071) 6.369 18.930 ( 4.105 -2.264 30.505) 30.863 21.901 ( -0.461 -7.914 1.231) 8.023 25.299 ( -3.219 3.408 22.476) 22.959 26.555 ( 1.141 -1.177 8.842) 8.992 27.970 ( -2.555 -18.611 -4.568) 19.333 29.052 ( 4.919 0.247 -4.690) 6.801 30.480 ( -5.512 -4.223 3.987) 8.007 32.157 ( 9.756 19.006 -14.086) 25.590 ======================= Grid point 278 (93/216) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( 0.593 -13.311 7.714) 15.396 4.181 ( 11.385 -21.056 -3.838) 24.243 4.704 ( -18.604 5.034 9.633) 21.546 5.139 ( 5.197 20.793 6.512) 22.400 5.854 ( 18.305 1.219 -3.997) 18.776 6.422 ( -11.333 18.276 -4.707) 22.014 7.105 ( -1.395 -10.859 5.032) 12.049 7.897 ( 6.275 3.856 -2.653) 7.828 8.239 ( -9.601 -14.917 -15.127) 23.313 9.586 ( -5.303 -13.321 -15.035) 20.776 9.706 ( 5.688 4.598 -12.003) 14.056 10.247 ( -7.556 9.111 -16.318) 20.159 10.426 ( 10.220 7.785 -1.871) 12.983 10.763 ( 7.060 4.412 0.201) 8.328 11.197 ( -9.096 4.111 -7.422) 12.439 11.819 ( 8.380 1.436 -7.898) 11.604 12.414 ( -7.060 -6.058 10.733) 14.203 12.879 ( 2.923 -1.278 4.036) 5.144 13.280 ( -0.349 6.951 13.207) 14.928 13.586 ( -0.870 0.203 11.373) 11.408 13.780 ( -4.281 -0.346 1.963) 4.722 14.283 ( -2.689 2.098 -2.190) 4.053 14.665 ( 0.201 3.773 -7.822) 8.686 14.984 ( 1.254 -4.261 -1.766) 4.780 15.737 ( -1.496 -1.254 17.243) 17.353 15.914 ( -10.622 -3.387 4.564) 12.047 16.929 ( 12.294 5.674 -8.262) 15.862 17.490 ( -4.578 -8.388 -3.000) 10.016 19.001 ( 2.360 -2.022 33.840) 33.982 22.001 ( -0.021 -4.425 2.089) 4.893 25.240 ( -1.492 1.094 20.687) 20.770 26.577 ( 1.064 -0.077 8.430) 8.497 28.257 ( 0.497 -16.086 -7.239) 17.647 29.088 ( 4.518 0.530 -5.417) 7.074 30.484 ( -8.315 -4.151 3.681) 9.996 31.914 ( 6.859 19.051 -10.091) 22.624 ======================= Grid point 279 (94/216) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( -4.912 3.875 11.745) 13.307 4.408 ( -12.761 -12.804 7.934) 19.742 4.552 ( -1.606 23.597 -17.506) 29.426 4.902 ( 15.378 -4.297 9.298) 18.477 5.831 ( -11.092 3.084 1.094) 11.564 6.389 ( 22.207 -2.961 -5.020) 22.959 7.175 ( -13.286 -4.357 8.119) 16.168 7.713 ( 2.925 16.554 10.537) 19.840 8.511 ( -8.306 -23.907 -19.752) 32.104 9.581 ( 8.299 14.676 -27.253) 32.046 9.883 ( -2.432 -20.458 -11.394) 23.543 10.008 ( -7.216 9.612 -13.367) 17.976 10.371 ( 8.343 6.990 -4.615) 11.823 10.753 ( 5.133 4.451 -3.729) 7.750 11.169 ( -2.654 -7.431 -0.623) 7.915 11.948 ( 11.783 -3.234 -8.789) 15.051 12.408 ( -9.543 -4.177 16.174) 19.238 12.958 ( 7.718 -0.985 6.059) 9.862 13.168 ( -3.443 3.678 9.910) 11.117 13.542 ( -4.760 1.385 8.159) 9.547 13.759 ( -2.263 0.309 4.336) 4.901 14.183 ( -4.227 4.788 -1.016) 6.467 14.568 ( -0.557 6.756 -5.454) 8.701 15.085 ( 2.798 -4.418 -1.822) 5.538 15.753 ( 0.847 -2.404 14.349) 14.574 15.918 ( -9.095 -7.153 1.360) 11.651 16.960 ( 11.002 3.560 -9.673) 15.075 17.547 ( -5.004 -3.175 -1.650) 6.151 19.033 ( 1.087 0.430 35.466) 35.485 22.055 ( 0.288 -1.900 2.150) 2.884 25.228 ( -0.564 -0.857 20.176) 20.202 26.578 ( 0.620 0.949 8.302) 8.379 28.501 ( 2.503 -10.083 -9.341) 13.971 29.146 ( 6.107 -2.305 -6.140) 8.962 30.457 ( -10.859 -3.529 3.061) 11.821 31.649 ( 3.754 18.288 -7.522) 20.127 ======================= Grid point 280 (95/216) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.501 ( -7.456 19.681 15.558) 26.173 3.932 ( -2.016 40.173 -7.304) 40.881 4.577 ( -3.220 -12.364 2.824) 13.085 5.268 ( 10.974 -13.449 4.210) 17.861 5.810 ( -10.667 -14.835 -4.288) 18.769 6.594 ( 18.224 5.426 -1.357) 19.063 6.912 ( -10.657 18.654 11.564) 24.398 7.659 ( -1.643 -11.174 6.164) 12.867 8.825 ( -4.088 -19.382 -18.740) 27.268 9.350 ( 4.984 18.878 -31.031) 36.663 9.749 ( -3.962 10.385 -10.581) 15.346 10.274 ( 1.392 -20.492 -9.466) 22.615 10.392 ( 3.459 -2.549 -15.698) 16.276 10.756 ( 1.275 -3.315 -3.512) 4.995 11.289 ( 0.641 -4.749 10.365) 11.419 12.103 ( 7.564 -3.160 -14.790) 16.909 12.430 ( -2.205 -5.926 21.602) 22.508 13.001 ( 1.047 2.858 9.862) 10.321 13.118 ( 0.021 -1.362 8.048) 8.163 13.469 ( -5.260 0.743 5.573) 7.699 13.715 ( -1.796 1.980 3.343) 4.280 14.076 ( -1.488 3.920 -0.026) 4.193 14.440 ( -2.305 6.273 2.623) 7.179 15.175 ( 2.319 -3.146 -3.395) 5.177 15.835 ( 3.326 -3.531 12.799) 13.688 15.965 ( -6.991 -8.172 -5.692) 12.168 17.020 ( 8.014 0.655 -8.874) 11.976 17.489 ( -4.430 4.642 -0.826) 6.469 19.007 ( 0.342 3.219 35.906) 36.052 22.074 ( 0.340 0.074 1.154) 1.205 25.259 ( -0.042 -3.143 20.866) 21.102 26.560 ( 0.165 1.519 8.543) 8.679 28.617 ( 1.597 -1.156 -10.298) 10.485 29.311 ( 9.113 -8.288 -8.381) 14.899 30.395 ( -11.237 -2.073 2.651) 11.730 31.371 ( 0.835 17.125 -5.703) 18.069 ======================= Grid point 281 (96/216) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 0.000 24.888 22.271) 33.398 3.237 ( 0.000 39.125 5.315) 39.484 4.740 ( -0.000 -9.931 -14.795) 17.819 5.301 ( 0.000 20.192 23.579) 31.043 6.080 ( -0.000 -16.582 -11.060) 19.932 6.539 ( 0.000 6.882 3.684) 7.806 6.686 ( -0.000 -4.521 -1.724) 4.839 7.908 ( -0.000 -14.850 -2.308) 15.028 8.945 ( 0.000 10.802 -32.739) 34.475 9.213 ( -0.000 -8.922 -16.836) 19.054 9.630 ( -0.000 -0.120 -4.065) 4.067 10.441 ( -0.000 -2.488 -24.171) 24.299 10.522 ( -0.000 -5.855 -3.401) 6.771 10.997 ( -0.000 -22.987 -1.960) 23.070 11.292 ( 0.000 4.387 11.782) 12.572 12.204 ( -0.000 -4.314 -15.225) 15.824 12.496 ( 0.000 0.712 23.547) 23.557 12.974 ( -0.000 -3.155 11.161) 11.598 13.163 ( -0.000 -2.671 8.239) 8.661 13.428 ( 0.000 1.791 6.254) 6.505 13.703 ( -0.000 -3.449 3.918) 5.220 14.022 ( 0.000 1.868 -0.395) 1.909 14.339 ( 0.000 3.271 6.614) 7.378 15.233 ( -0.000 -2.286 -4.423) 4.979 15.887 ( -0.000 -0.993 14.811) 14.844 16.082 ( -0.000 -8.793 -13.039) 15.726 17.063 ( 0.000 0.458 -8.493) 8.506 17.315 ( 0.000 12.372 0.164) 12.373 18.943 ( 0.000 4.071 35.706) 35.937 22.056 ( 0.000 2.403 -0.864) 2.554 25.339 ( -0.000 -6.660 22.731) 23.686 26.534 ( 0.000 1.454 9.096) 9.211 28.590 ( 0.000 4.708 -10.900) 11.874 29.543 ( -0.000 -10.287 -12.131) 15.905 30.341 ( -0.000 -0.409 2.776) 2.806 31.095 ( 0.000 15.403 -4.088) 15.936 ======================= Grid point 286 (97/216) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 27.179 -0.000 12.308) 29.836 2.955 ( 25.782 -0.000 29.332) 39.052 4.611 ( 20.404 -0.000 21.943) 29.963 5.551 ( -21.362 0.000 5.674) 22.103 6.208 ( 16.524 -0.000 -17.272) 23.904 6.418 ( 12.451 -0.000 -27.008) 29.740 7.078 ( 8.091 -0.000 -8.063) 11.422 8.081 ( -20.192 0.000 -30.238) 36.360 8.537 ( -10.142 0.000 -1.906) 10.319 9.317 ( -16.821 0.000 -7.105) 18.260 9.698 ( 2.885 -0.000 -20.557) 20.758 10.143 ( 0.111 -0.000 0.441) 0.455 10.643 ( -17.928 0.000 7.336) 19.371 11.234 ( 16.729 -0.000 -17.452) 24.175 11.592 ( 0.456 -0.000 2.472) 2.514 12.158 ( -4.573 0.000 7.150) 8.487 12.493 ( 3.503 -0.000 17.763) 18.105 12.802 ( -15.735 0.000 6.739) 17.117 13.386 ( -7.704 0.000 -9.156) 11.966 13.558 ( 10.394 -0.000 1.402) 10.488 14.069 ( -1.634 0.000 -5.630) 5.863 14.159 ( 8.332 -0.000 11.012) 13.809 14.985 ( -10.736 0.000 1.295) 10.814 15.068 ( -9.142 0.000 1.622) 9.285 15.498 ( -8.122 0.000 10.911) 13.602 15.907 ( -1.900 0.000 9.226) 9.420 16.527 ( 3.890 -0.000 -7.739) 8.662 17.515 ( 1.340 -0.000 18.518) 18.566 18.949 ( 12.117 -0.000 10.638) 16.124 21.449 ( 0.609 -0.000 2.176) 2.259 25.599 ( -13.791 0.000 29.305) 32.388 26.448 ( 0.278 -0.000 9.203) 9.207 27.291 ( 2.978 -0.000 3.502) 4.597 28.979 ( 7.695 -0.000 -3.355) 8.395 30.391 ( -1.327 0.000 4.634) 4.821 32.689 ( 9.892 -0.000 -26.935) 28.695 ======================= Grid point 287 (98/216) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 26.645 -5.449 0.811) 27.209 3.248 ( 23.847 -4.906 23.596) 33.905 4.804 ( 5.844 -7.005 14.011) 16.719 5.285 ( -22.717 3.855 12.593) 26.259 6.304 ( 21.496 8.056 -10.531) 25.256 6.644 ( 12.623 -7.901 -19.096) 24.217 7.163 ( 3.721 -0.841 -8.635) 9.440 7.817 ( -17.017 9.039 -26.610) 32.854 8.360 ( -4.152 8.557 -4.674) 10.597 9.213 ( -16.788 -6.298 -7.329) 19.371 9.757 ( 3.022 -2.351 -15.680) 16.141 10.184 ( 3.967 -3.188 -4.772) 6.977 10.496 ( -16.041 -1.931 2.763) 16.391 11.314 ( 15.295 10.153 -12.546) 22.236 11.528 ( -1.681 5.894 0.377) 6.141 12.115 ( -2.635 -0.403 6.499) 7.024 12.452 ( -2.107 6.044 9.491) 11.448 12.708 ( -13.857 -4.726 5.096) 15.502 13.283 ( -0.460 1.488 -2.455) 2.907 13.701 ( 5.659 -1.459 -0.523) 5.868 14.045 ( 3.375 -1.025 -1.011) 3.669 14.306 ( 3.453 -5.158 6.004) 8.635 14.674 ( -9.429 17.265 3.542) 19.988 14.974 ( -11.993 0.450 0.704) 12.022 15.440 ( -4.678 -3.757 13.822) 15.068 16.149 ( -0.322 -20.750 4.476) 21.229 16.492 ( 0.708 5.552 -1.857) 5.897 17.505 ( 1.145 1.797 16.124) 16.264 19.011 ( 11.824 6.331 10.996) 17.344 21.548 ( 0.149 -9.830 1.381) 9.927 25.449 ( -7.988 4.126 26.119) 27.623 26.478 ( 0.230 -2.765 9.226) 9.634 27.412 ( 1.425 -10.615 1.819) 10.863 29.055 ( 7.379 0.015 -4.355) 8.568 30.389 ( -1.809 -1.278 5.524) 5.951 32.680 ( 6.419 9.444 -21.810) 24.619 ======================= Grid point 288 (99/216) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.354 ( 10.442 -4.559 -4.391) 12.211 3.612 ( 25.298 -10.565 11.937) 29.902 4.875 ( -14.621 0.818 10.186) 17.838 5.127 ( -2.379 -7.943 24.445) 25.812 6.313 ( 16.167 14.919 -9.941) 24.141 6.850 ( 5.465 -5.088 -12.097) 14.216 7.117 ( -2.388 11.887 -12.576) 17.469 7.526 ( -11.837 0.157 -16.663) 20.440 8.275 ( 5.581 3.289 -7.428) 9.856 9.191 ( -13.763 -8.986 -8.414) 18.466 9.813 ( 4.893 0.281 -10.586) 11.666 10.329 ( 5.210 -7.963 -10.893) 14.464 10.381 ( -13.507 -0.972 -2.313) 13.738 11.185 ( 10.393 17.429 -5.777) 21.098 11.427 ( 0.420 5.509 1.679) 5.775 12.086 ( 0.691 7.286 2.322) 7.678 12.272 ( -9.063 2.992 -1.229) 9.622 12.714 ( -6.117 -7.452 3.189) 10.154 13.339 ( 1.979 -5.169 7.651) 9.443 13.699 ( 3.030 4.807 0.180) 5.685 14.016 ( -3.169 14.734 4.150) 15.632 14.288 ( 2.259 -1.451 3.789) 4.644 14.564 ( 0.412 -5.889 1.673) 6.136 14.852 ( -13.526 -2.198 -3.741) 14.205 15.509 ( -3.216 -7.810 15.481) 17.636 16.204 ( 1.005 13.561 2.629) 13.850 16.650 ( -0.747 -22.834 4.447) 23.275 17.466 ( 2.404 5.399 4.003) 7.138 18.999 ( 7.255 4.841 19.470) 21.334 21.734 ( -0.101 -11.040 1.129) 11.098 25.325 ( -3.881 3.597 23.052) 23.652 26.531 ( 0.584 -2.718 8.929) 9.352 27.652 ( 0.109 -16.410 -1.179) 16.453 29.114 ( 5.753 0.717 -5.062) 7.697 30.392 ( -2.943 -1.589 5.967) 6.841 32.523 ( 5.074 15.062 -16.677) 23.038 ======================= Grid point 289 (100/216) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 0.261 -8.543 1.687) 8.712 4.036 ( 18.082 -12.487 1.258) 22.011 4.630 ( -16.953 4.964 10.158) 20.378 5.348 ( 9.272 -6.145 24.646) 27.040 6.136 ( 8.107 16.179 -6.544) 19.243 6.632 ( -13.084 21.204 -11.873) 27.600 7.015 ( 4.359 -1.355 -8.993) 10.085 7.660 ( -3.402 -18.613 -17.598) 25.840 8.253 ( 3.104 6.644 -1.932) 7.583 9.273 ( -7.422 -13.376 -10.126) 18.345 9.849 ( 7.453 2.540 -11.566) 13.992 10.245 ( -11.717 2.583 -10.689) 16.069 10.535 ( 7.511 -7.712 -7.557) 13.153 10.994 ( 9.152 15.292 -4.517) 18.385 11.284 ( -2.821 11.859 2.271) 12.400 11.930 ( 2.626 5.415 -6.462) 8.831 12.236 ( -9.594 -4.981 4.899) 11.868 12.816 ( 0.321 -7.298 3.376) 8.047 13.423 ( 3.572 1.442 12.500) 13.080 13.611 ( -0.338 7.582 8.365) 11.295 13.739 ( -6.755 4.846 -0.944) 8.367 14.343 ( 3.959 3.141 3.247) 6.007 14.650 ( -1.655 -3.934 -4.425) 6.148 14.848 ( -6.768 -9.477 -6.618) 13.395 15.619 ( -2.242 -7.775 16.755) 18.606 15.957 ( -1.679 13.042 8.829) 15.839 17.004 ( 5.149 -14.131 0.521) 15.049 17.375 ( -1.506 4.570 -5.322) 7.175 19.007 ( 3.285 0.349 28.142) 28.335 21.897 ( -0.038 -7.982 1.762) 8.174 25.251 ( -1.685 2.035 20.970) 21.135 26.574 ( 0.731 -1.475 8.478) 8.636 27.956 ( 0.342 -18.840 -4.495) 19.372 29.144 ( 3.923 1.118 -5.543) 6.882 30.382 ( -4.087 -1.222 5.994) 7.357 32.284 ( 3.879 17.924 -12.756) 22.339 ======================= Grid point 290 (101/216) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( -0.482 -13.346 9.394) 16.328 4.210 ( -4.658 2.076 6.588) 8.331 4.575 ( 1.791 -10.234 -5.337) 11.680 5.297 ( 8.881 22.386 9.059) 25.731 5.892 ( -9.530 15.062 1.991) 17.935 6.460 ( 10.871 -8.514 -0.857) 13.835 7.003 ( -6.826 1.914 -7.432) 10.271 7.985 ( 2.800 -12.491 -12.303) 17.755 8.095 ( -4.857 4.272 -1.169) 6.573 9.501 ( -2.313 -18.865 -11.941) 22.446 9.858 ( 9.026 7.129 -15.104) 18.985 10.064 ( -10.021 5.823 -18.394) 21.741 10.633 ( 7.703 9.239 -0.939) 12.065 10.891 ( 4.936 6.283 -5.757) 9.848 11.057 ( -5.058 2.192 -3.741) 6.662 11.995 ( 9.899 -3.242 -2.472) 10.706 12.213 ( -11.947 -5.393 8.937) 15.864 12.946 ( 2.385 -5.832 6.189) 8.832 13.307 ( 2.712 11.627 9.184) 15.063 13.516 ( -4.710 1.768 5.533) 7.478 13.714 ( -1.843 -3.291 4.613) 5.958 14.262 ( 0.078 6.957 4.576) 8.327 14.657 ( -0.648 2.504 -11.217) 11.511 14.986 ( -0.529 -9.202 -4.737) 10.364 15.717 ( -0.488 -5.008 17.954) 18.646 15.785 ( -2.979 3.022 8.197) 9.230 17.137 ( 8.222 6.230 -9.546) 14.054 17.381 ( -5.698 -10.078 -1.477) 11.671 19.037 ( 1.066 -0.889 33.221) 33.250 22.003 ( 0.065 -4.622 2.290) 5.159 25.220 ( -0.550 0.471 19.940) 19.953 26.592 ( 0.435 0.002 8.169) 8.181 28.276 ( 0.858 -17.539 -7.544) 19.112 29.163 ( 2.471 -0.259 -6.050) 6.541 30.356 ( -3.967 -0.495 5.680) 6.946 31.999 ( 2.084 19.082 -9.928) 21.611 ======================= Grid point 291 (102/216) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 0.000 10.128 9.931) 14.184 4.281 ( -0.000 -17.013 14.481) 22.342 4.540 ( 0.000 26.779 -19.418) 33.079 5.113 ( -0.000 -6.477 11.673) 13.349 5.647 ( 0.000 4.240 -5.795) 7.180 6.834 ( -0.000 -16.255 14.306) 21.654 6.840 ( 0.000 7.533 -10.169) 12.655 7.737 ( 0.000 19.174 11.146) 22.179 8.425 ( -0.000 -24.452 -19.499) 31.275 9.692 ( 0.000 16.160 -29.800) 33.900 9.865 ( -0.000 -23.249 -5.001) 23.781 9.901 ( 0.000 8.257 -18.249) 20.030 10.473 ( 0.000 8.923 -7.092) 11.398 10.786 ( 0.000 5.094 -5.569) 7.547 11.166 ( -0.000 -9.822 3.477) 10.419 12.107 ( -0.000 -1.549 -11.329) 11.435 12.265 ( -0.000 -9.404 20.587) 22.634 13.034 ( -0.000 -2.335 7.906) 8.244 13.159 ( 0.000 6.841 8.951) 11.266 13.455 ( 0.000 1.709 1.852) 2.520 13.738 ( 0.000 0.246 6.539) 6.544 14.150 ( 0.000 5.733 3.229) 6.580 14.557 ( 0.000 7.803 -5.591) 9.600 15.113 ( -0.000 -5.660 -3.178) 6.491 15.788 ( -0.000 -5.634 -1.282) 5.778 15.802 ( -0.000 -4.261 17.627) 18.135 17.084 ( 0.000 3.226 -11.200) 11.655 17.482 ( -0.000 -3.390 -0.359) 3.409 19.044 ( 0.000 0.831 35.366) 35.376 22.058 ( -0.000 -2.051 2.125) 2.953 25.223 ( -0.000 -1.130 19.912) 19.944 26.584 ( 0.000 1.118 8.188) 8.264 28.529 ( -0.000 -10.601 -9.625) 14.318 29.220 ( -0.000 -5.341 -7.267) 9.018 30.335 ( 0.000 0.011 4.998) 4.998 31.685 ( 0.000 18.942 -7.707) 20.450 ======================= Grid point 298 (103/216) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 26.878 -0.000 -8.933) 28.324 3.465 ( 26.428 -0.000 24.776) 36.226 4.764 ( -1.216 0.000 9.769) 9.845 5.063 ( -27.318 0.000 18.209) 32.831 6.592 ( 16.039 -0.000 -1.166) 16.081 6.637 ( 8.666 -0.000 -24.033) 25.548 7.274 ( 14.686 -0.000 -2.775) 14.946 7.765 ( -11.567 0.000 -32.575) 34.567 8.367 ( -7.561 0.000 -6.734) 10.125 8.993 ( -15.182 0.000 -7.404) 16.891 9.762 ( 4.024 -0.000 -14.137) 14.699 10.206 ( 4.914 -0.000 -3.209) 5.869 10.318 ( -15.298 0.000 2.617) 15.520 11.485 ( 3.406 -0.000 -10.307) 10.855 11.684 ( 14.606 -0.000 -6.787) 16.106 12.023 ( -8.524 0.000 7.036) 11.053 12.507 ( -2.443 0.000 13.865) 14.079 12.511 ( -12.901 0.000 2.568) 13.154 13.284 ( -3.143 0.000 -5.383) 6.233 13.744 ( 7.974 -0.000 1.602) 8.134 14.066 ( 0.712 -0.000 -5.152) 5.202 14.262 ( 2.572 -0.000 3.382) 4.249 14.768 ( -10.556 0.000 3.712) 11.190 14.898 ( -7.706 0.000 2.125) 7.993 15.383 ( -3.752 0.000 17.308) 17.710 15.879 ( -1.053 0.000 9.074) 9.135 16.593 ( 2.737 -0.000 -6.611) 7.156 17.497 ( -1.806 0.000 26.361) 26.423 19.205 ( 12.200 -0.000 2.841) 12.526 21.458 ( 0.331 -0.000 1.910) 1.939 25.412 ( -6.301 0.000 25.159) 25.936 26.452 ( 0.184 -0.000 9.121) 9.123 27.347 ( 2.668 -0.000 2.595) 3.722 29.127 ( 6.834 -0.000 -5.044) 8.494 30.366 ( -1.196 0.000 6.623) 6.730 32.801 ( 2.849 -0.000 -20.320) 20.519 ======================= Grid point 299 (104/216) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 14.990 4.815 -13.776) 20.920 3.757 ( 27.398 -4.076 16.046) 32.011 4.722 ( -18.185 0.514 13.296) 22.533 4.905 ( -8.802 -11.118 23.978) 27.858 6.624 ( 8.532 7.190 -0.992) 11.201 6.774 ( 1.581 -5.798 -19.265) 20.180 7.362 ( 14.509 9.105 -9.671) 19.670 7.557 ( -7.958 11.658 -23.395) 27.323 8.314 ( -2.044 -1.333 -9.116) 9.437 8.927 ( -11.330 -6.963 -8.921) 16.013 9.835 ( 5.348 -2.537 -8.745) 10.560 10.205 ( -12.651 -2.881 -3.307) 13.389 10.281 ( 3.898 -3.504 -4.822) 7.123 11.451 ( 0.004 5.442 -3.666) 6.562 11.653 ( 12.383 14.232 -4.729) 19.448 12.054 ( -3.446 -5.689 3.008) 7.300 12.332 ( -8.470 9.936 4.774) 13.902 12.519 ( -5.412 -7.624 0.772) 9.382 13.275 ( -0.359 -2.523 0.864) 2.691 13.804 ( 4.235 2.776 0.899) 5.143 14.106 ( 2.825 -5.175 -3.703) 6.963 14.358 ( 2.061 -2.695 1.497) 3.708 14.491 ( -8.903 13.243 2.120) 16.097 14.770 ( -7.865 4.922 6.211) 11.165 15.381 ( -1.703 -4.272 17.405) 18.003 16.148 ( 0.115 -25.294 6.514) 26.120 16.502 ( 0.385 11.411 -1.747) 11.551 17.507 ( -0.300 -1.595 20.350) 20.415 19.214 ( 7.959 9.486 6.085) 13.797 21.551 ( 0.148 -9.493 1.456) 9.605 25.341 ( -3.414 2.389 23.299) 23.669 26.482 ( 0.170 -2.954 8.994) 9.469 27.445 ( 1.545 -8.716 1.324) 8.950 29.179 ( 4.857 0.684 -5.511) 7.378 30.358 ( -1.244 -0.302 7.189) 7.302 32.752 ( 1.762 7.998 -17.496) 19.318 ======================= Grid point 300 (105/216) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 2.460 4.075 -8.126) 9.418 4.091 ( 22.766 -5.283 8.064) 24.723 4.504 ( -20.223 0.802 10.700) 22.893 5.167 ( 2.710 -19.156 29.623) 35.381 6.455 ( -0.750 15.743 4.810) 16.478 6.893 ( 6.822 4.483 -24.483) 25.808 7.068 ( -8.235 14.235 -23.987) 29.083 7.485 ( 4.669 -0.246 -7.391) 8.745 8.332 ( 0.199 0.162 -6.408) 6.413 9.004 ( -4.757 -11.218 -10.299) 15.954 9.934 ( 8.085 -1.263 -6.147) 10.235 10.131 ( -11.710 -1.735 -7.114) 13.811 10.423 ( 3.033 -9.036 -10.496) 14.178 11.317 ( 3.114 11.791 -4.735) 13.083 11.533 ( 8.327 14.541 7.759) 18.465 11.993 ( -11.055 3.182 -4.568) 12.378 12.135 ( -0.894 3.700 -0.399) 3.827 12.658 ( -0.671 -10.650 0.674) 10.692 13.360 ( 0.353 -6.728 8.148) 10.572 13.742 ( 1.136 5.953 -0.538) 6.084 13.965 ( -1.247 23.385 7.162) 24.489 14.366 ( 4.316 -10.751 -4.373) 12.382 14.558 ( -0.657 -5.940 -0.028) 5.976 14.616 ( -8.822 -0.908 2.429) 9.196 15.476 ( -0.701 -7.402 17.573) 19.082 16.225 ( 0.778 17.240 4.231) 17.769 16.636 ( -0.508 -27.305 4.045) 27.608 17.493 ( 0.569 4.691 6.507) 8.041 19.104 ( 3.022 7.839 16.544) 18.555 21.734 ( 0.029 -10.895 1.394) 10.984 25.276 ( -1.231 2.515 21.561) 21.742 26.539 ( 0.224 -3.105 8.674) 9.216 27.662 ( 0.496 -15.491 -1.345) 15.557 29.197 ( 2.373 1.345 -5.734) 6.350 30.349 ( -1.251 -0.035 7.264) 7.371 32.580 ( 1.256 13.742 -14.687) 20.153 ======================= Grid point 301 (106/216) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( -0.000 -6.939 2.417) 7.348 4.293 ( 0.000 5.130 5.576) 7.577 4.388 ( -0.000 -9.709 3.902) 10.464 5.476 ( -0.000 -9.717 26.446) 28.175 6.142 ( 0.000 19.075 5.202) 19.772 6.547 ( 0.000 18.724 -20.061) 27.441 7.045 ( 0.000 1.743 -16.332) 16.425 7.633 ( -0.000 -16.648 -15.588) 22.807 8.274 ( 0.000 7.459 -0.220) 7.462 9.203 ( -0.000 -14.808 -10.807) 18.332 10.024 ( 0.000 1.941 -0.249) 1.957 10.025 ( 0.000 1.555 -21.286) 21.343 10.617 ( -0.000 -10.527 -11.029) 15.246 11.123 ( 0.000 13.145 -8.725) 15.777 11.240 ( 0.000 20.710 8.598) 22.424 11.984 ( -0.000 -6.015 2.531) 6.526 12.086 ( 0.000 1.016 -2.790) 2.969 12.828 ( -0.000 -9.046 4.094) 9.929 13.473 ( -0.000 -4.731 9.831) 10.910 13.588 ( 0.000 18.877 8.348) 20.640 13.672 ( 0.000 1.586 -0.284) 1.611 14.403 ( 0.000 8.727 7.710) 11.645 14.607 ( -0.000 -7.973 -11.615) 14.088 14.779 ( -0.000 -13.243 -4.512) 13.990 15.600 ( -0.000 -7.371 18.048) 19.495 15.943 ( 0.000 14.782 9.371) 17.502 17.057 ( -0.000 -21.468 1.538) 21.523 17.356 ( 0.000 10.661 -5.697) 12.088 19.041 ( 0.000 1.450 27.278) 27.316 21.897 ( -0.000 -8.002 1.912) 8.227 25.234 ( 0.000 1.637 20.405) 20.470 26.581 ( -0.000 -1.607 8.325) 8.479 27.962 ( -0.000 -19.025 -4.592) 19.572 29.185 ( 0.000 1.214 -5.850) 5.975 30.339 ( 0.000 0.206 6.834) 6.837 32.320 ( 0.000 17.422 -12.234) 21.289 ======================= Grid point 311 (107/216) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( 13.186 -0.000 -32.088) 34.692 3.962 ( 23.749 -0.000 22.400) 32.646 4.543 ( -24.624 0.000 25.051) 35.127 4.685 ( -4.227 0.000 21.337) 21.752 6.733 ( 1.733 -0.000 -20.172) 20.247 6.733 ( 1.430 -0.000 4.901) 5.105 7.607 ( 13.890 -0.000 -4.124) 14.489 7.640 ( -2.167 0.000 -34.633) 34.701 8.234 ( -5.564 0.000 -9.249) 10.794 8.774 ( -6.394 0.000 -9.322) 11.305 9.869 ( 7.224 -0.000 -2.369) 7.603 10.058 ( -11.445 0.000 -5.667) 12.771 10.287 ( 2.566 -0.000 -4.831) 5.470 11.483 ( -0.831 0.000 -4.913) 4.983 11.879 ( -4.737 0.000 8.724) 9.927 12.019 ( 15.375 -0.000 -13.163) 20.240 12.338 ( -4.535 0.000 -2.316) 5.092 12.393 ( -8.486 0.000 11.530) 14.317 13.249 ( -0.718 0.000 -2.991) 3.075 13.845 ( 2.359 -0.000 1.994) 3.088 14.081 ( 0.500 -0.000 -4.608) 4.635 14.286 ( 0.518 -0.000 -2.976) 3.021 14.616 ( -4.404 0.000 6.930) 8.211 14.790 ( -3.020 0.000 2.133) 3.697 15.342 ( -0.859 0.000 21.965) 21.981 15.865 ( -0.353 0.000 9.008) 9.015 16.630 ( 0.978 -0.000 -6.133) 6.211 17.470 ( -0.767 0.000 28.499) 28.509 19.374 ( 4.630 -0.000 0.728) 4.687 21.462 ( 0.096 -0.000 1.784) 1.787 25.336 ( -1.834 0.000 23.037) 23.110 26.455 ( 0.067 -0.000 9.014) 9.014 27.385 ( 1.078 -0.000 2.137) 2.394 29.223 ( 2.674 -0.000 -5.832) 6.415 30.349 ( -0.488 0.000 7.778) 7.794 32.829 ( 0.473 -0.000 -17.057) 17.064 ======================= Grid point 312 (108/216) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.638 ( 0.000 11.847 -21.969) 24.960 4.232 ( -0.000 -8.313 8.006) 11.541 4.305 ( 0.000 4.590 22.351) 22.818 4.847 ( -0.000 -17.513 29.043) 33.914 6.658 ( 0.000 8.624 5.772) 10.378 6.813 ( -0.000 -7.447 -20.679) 21.979 7.419 ( 0.000 21.699 -31.919) 38.596 7.609 ( 0.000 6.960 -5.152) 8.660 8.276 ( -0.000 -5.576 -9.536) 11.046 8.814 ( -0.000 -7.806 -10.087) 12.755 9.961 ( -0.000 -2.852 19.181) 19.392 10.001 ( -0.000 -2.807 -28.379) 28.518 10.328 ( -0.000 -3.683 -6.593) 7.552 11.451 ( 0.000 3.718 -3.419) 5.051 11.799 ( 0.000 7.331 11.350) 13.512 11.997 ( 0.000 7.782 -15.921) 17.721 12.253 ( 0.000 8.098 8.393) 11.663 12.458 ( -0.000 -11.723 -2.866) 12.068 13.270 ( -0.000 -3.343 2.207) 4.006 13.847 ( 0.000 4.034 1.187) 4.205 14.142 ( -0.000 -10.594 -6.710) 12.540 14.378 ( 0.000 22.650 5.596) 23.331 14.391 ( -0.000 -9.603 -2.897) 10.030 14.691 ( 0.000 7.385 8.789) 11.480 15.366 ( -0.000 -4.420 19.021) 19.528 16.150 ( -0.000 -27.129 7.208) 28.071 16.506 ( 0.000 13.644 -1.716) 13.752 17.504 ( -0.000 -2.642 21.252) 21.415 19.294 ( 0.000 10.486 4.946) 11.594 21.552 ( -0.000 -9.443 1.467) 9.556 25.309 ( 0.000 1.969 22.342) 22.429 26.484 ( -0.000 -3.033 8.900) 9.403 27.461 ( -0.000 -8.281 1.137) 8.358 29.228 ( 0.000 0.881 -5.889) 5.955 30.345 ( 0.000 0.116 7.808) 7.809 32.767 ( 0.000 7.498 -16.051) 17.716 ======================= Grid point 375 (109/216) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 0.000 0.000 40.173) 40.173 2.959 ( 0.000 0.000 46.367) 46.367 4.329 ( 0.000 0.000 54.351) 54.351 4.938 ( 0.000 0.000 -39.097) 39.097 5.408 ( 0.000 0.000 -48.130) 48.130 5.906 ( 0.000 0.000 -23.241) 23.241 6.451 ( 0.000 0.000 -5.899) 5.899 8.305 ( 0.000 0.000 -41.253) 41.253 9.068 ( 0.000 0.000 -4.600) 4.600 9.117 ( 0.000 0.000 -14.887) 14.887 9.288 ( 0.000 0.000 -11.629) 11.629 10.510 ( 0.000 0.000 -11.185) 11.185 11.529 ( 0.000 0.000 23.903) 23.903 11.559 ( 0.000 0.000 19.138) 19.138 11.903 ( 0.000 0.000 -0.352) 0.352 11.960 ( 0.000 0.000 16.965) 16.965 12.251 ( 0.000 0.000 9.115) 9.115 13.227 ( 0.000 0.000 -2.526) 2.526 13.567 ( 0.000 0.000 7.746) 7.746 13.597 ( 0.000 0.000 -4.401) 4.401 13.767 ( 0.000 0.000 -10.411) 10.411 14.315 ( 0.000 0.000 -10.432) 10.432 15.284 ( 0.000 0.000 -0.335) 0.335 15.322 ( 0.000 0.000 0.414) 0.414 16.100 ( 0.000 0.000 10.728) 10.728 16.128 ( 0.000 0.000 -5.395) 5.395 16.369 ( 0.000 0.000 5.567) 5.567 16.583 ( 0.000 0.000 2.833) 2.833 19.703 ( 0.000 0.000 23.107) 23.107 21.426 ( 0.000 0.000 -2.647) 2.647 26.617 ( 0.000 0.000 9.276) 9.276 27.133 ( 0.000 0.000 -3.345) 3.345 27.381 ( 0.000 0.000 12.852) 12.852 29.378 ( 0.000 0.000 -15.723) 15.723 30.432 ( 0.000 0.000 -0.050) 0.050 30.452 ( 0.000 0.000 -0.408) 0.408 ======================= Grid point 376 (110/216) ======================= q-point: ( 0.09 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 5.688 -9.438 37.246) 38.842 3.023 ( 3.061 -4.783 43.179) 43.551 4.487 ( 5.713 -14.621 50.105) 52.506 4.790 ( 5.395 14.122 -36.524) 39.529 5.525 ( 1.297 -9.498 -38.219) 39.403 6.038 ( -2.025 -14.503 -26.568) 30.336 6.492 ( 4.747 -2.418 -7.154) 8.920 8.161 ( -4.340 11.486 -31.447) 33.759 8.901 ( -4.502 13.959 -3.150) 15.001 9.207 ( 0.851 -7.371 -21.192) 22.453 9.327 ( 1.058 -1.629 -12.664) 12.812 10.562 ( -2.858 -6.974 -11.729) 13.942 11.093 ( -19.591 21.855 16.471) 33.657 11.426 ( 10.288 20.756 17.048) 28.763 11.879 ( -14.480 -3.324 8.417) 17.076 12.238 ( 12.469 -8.425 8.330) 17.200 12.342 ( 2.703 -8.625 13.292) 16.074 13.190 ( -4.488 2.383 -3.618) 6.238 13.418 ( -0.863 6.821 -4.046) 7.978 13.577 ( 0.699 3.555 4.148) 5.507 13.940 ( 4.005 -10.218 -4.652) 11.920 14.204 ( -3.325 8.235 -7.551) 11.657 15.114 ( 0.619 18.933 3.625) 19.287 15.272 ( -2.137 4.138 -2.112) 5.114 16.065 ( -5.957 -2.419 6.229) 8.952 16.147 ( 2.368 0.430 2.570) 3.521 16.492 ( 0.022 -14.896 4.114) 15.454 16.721 ( 9.832 -5.151 -1.164) 11.161 19.624 ( -4.259 4.818 27.334) 28.080 21.523 ( -0.114 -9.981 -4.982) 11.156 26.520 ( -1.475 13.795 10.605) 17.463 26.834 ( -3.774 11.569 12.846) 17.695 27.692 ( -4.164 -22.066 -1.590) 22.512 29.260 ( -22.718 -2.502 -10.320) 25.077 30.449 ( 3.044 -1.336 -0.179) 3.329 30.661 ( 30.742 -1.144 -7.508) 31.666 ======================= Grid point 377 (111/216) ======================= q-point: ( 0.18 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 3.077 -11.602 32.615) 34.754 3.210 ( 11.844 -11.065 36.937) 40.336 4.543 ( 4.186 9.832 -26.605) 28.671 5.004 ( 8.645 -23.594 28.277) 37.829 5.733 ( 9.516 -10.445 -18.297) 23.118 6.226 ( -8.513 -10.609 -17.995) 22.557 6.648 ( 10.386 -7.535 -17.909) 22.031 7.939 ( -6.291 6.543 -15.745) 18.174 8.550 ( -7.771 19.287 -1.655) 20.860 9.297 ( 0.181 0.934 -17.400) 17.426 9.362 ( 2.658 -2.963 -23.616) 23.949 10.543 ( -12.271 17.062 2.910) 21.217 10.666 ( -7.537 -3.566 -1.442) 8.462 11.165 ( -1.455 13.639 8.398) 16.084 11.731 ( -0.330 11.928 6.449) 13.564 12.300 ( -1.507 5.238 7.069) 8.926 12.479 ( -8.280 -5.352 6.505) 11.812 13.149 ( -0.858 -4.652 -3.119) 5.666 13.367 ( 4.414 3.636 1.228) 5.849 13.530 ( 0.238 1.195 4.912) 5.061 13.973 ( -3.941 3.967 0.216) 5.596 14.217 ( 10.942 -4.189 -4.761) 12.647 14.750 ( 0.748 21.947 8.469) 23.536 15.155 ( -4.263 5.483 -5.123) 8.630 16.066 ( -3.492 -2.072 5.745) 7.035 16.203 ( 3.132 -3.830 5.967) 7.751 16.696 ( -1.965 -5.009 1.323) 5.541 16.929 ( 7.479 -12.128 -3.207) 14.605 19.533 ( -3.381 0.243 32.875) 33.049 21.707 ( -0.485 -11.070 -7.313) 13.277 26.190 ( -4.051 17.053 19.258) 26.040 26.741 ( -0.787 0.827 12.736) 12.788 27.959 ( -7.296 -16.413 -6.354) 19.052 29.099 ( -19.202 -3.167 -6.525) 20.526 30.524 ( 2.740 -3.981 -0.094) 4.833 30.964 ( 31.607 2.924 -12.670) 34.178 ======================= Grid point 378 (112/216) ======================= q-point: ( 0.27 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 4.490 -15.429 24.717) 29.481 3.604 ( 15.268 -17.609 28.229) 36.607 4.487 ( 8.925 3.351 -22.642) 24.567 5.316 ( -3.980 -7.961 -0.511) 8.915 5.989 ( -0.123 -1.212 -0.152) 1.227 6.381 ( 9.812 -20.637 8.749) 24.469 6.858 ( 7.337 -2.454 -19.509) 20.987 7.821 ( -8.360 0.980 -3.096) 8.969 8.199 ( -8.473 7.408 -8.090) 13.861 9.213 ( 2.970 9.653 -15.563) 18.553 9.438 ( 2.461 -2.112 -26.760) 26.956 10.189 ( -5.500 11.855 2.408) 13.289 10.612 ( -5.354 5.185 -0.455) 7.467 10.960 ( -12.652 3.445 -3.997) 13.708 11.500 ( 4.649 16.039 2.180) 16.841 12.051 ( -8.468 16.155 -2.470) 18.407 12.463 ( -11.621 -7.881 5.102) 14.939 13.250 ( -4.039 -4.315 3.149) 6.697 13.368 ( 9.499 2.344 7.861) 12.551 13.564 ( 3.979 -2.645 4.793) 6.767 13.915 ( -0.992 0.348 -0.690) 1.257 14.293 ( 11.533 12.757 2.759) 17.417 14.518 ( 1.905 2.668 3.716) 4.955 15.027 ( -5.053 3.405 -6.358) 8.807 16.054 ( -0.938 0.588 6.573) 6.666 16.311 ( 4.936 -3.248 7.794) 9.780 16.647 ( -8.323 2.499 -0.743) 8.722 17.228 ( 4.877 -14.042 -2.936) 15.152 19.554 ( -0.901 -4.498 35.264) 35.561 21.868 ( -0.397 -8.248 -7.205) 10.959 25.922 ( -2.983 10.465 22.894) 25.348 26.738 ( 0.161 -0.319 11.938) 11.943 28.122 ( -7.895 -11.939 -8.279) 16.535 28.995 ( -11.399 -1.727 -6.306) 13.141 30.627 ( 2.055 -5.132 -0.004) 5.528 31.157 ( 23.502 5.641 -11.825) 26.907 ======================= Grid point 379 (113/216) ======================= q-point: ( 0.36 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( 6.001 -19.974 10.846) 23.508 4.042 ( 12.522 -16.914 21.783) 30.289 4.590 ( 12.241 -1.245 -15.060) 19.447 5.262 ( -3.799 6.281 -3.381) 8.082 5.835 ( -16.486 3.585 5.467) 17.735 6.699 ( 7.540 22.343 -5.037) 24.113 7.013 ( 11.133 -27.611 20.779) 36.306 7.781 ( -8.268 -7.633 -7.069) 13.289 8.199 ( -4.346 -11.220 -14.876) 19.133 9.034 ( 4.739 16.039 -18.466) 24.914 9.486 ( 2.578 -1.191 -25.600) 25.757 10.031 ( 1.588 5.256 -0.580) 5.521 10.438 ( -8.030 5.692 0.178) 9.844 10.745 ( -6.242 11.129 -4.236) 13.444 11.332 ( -3.507 4.199 -4.991) 7.406 11.678 ( -9.406 15.646 -8.344) 20.072 12.560 ( -2.559 -11.556 7.146) 13.826 13.194 ( -6.026 3.528 9.476) 11.771 13.434 ( 8.928 2.011 6.278) 11.098 13.653 ( 0.952 -2.429 5.523) 6.108 13.915 ( 0.867 -0.909 1.078) 1.655 14.193 ( 9.610 6.823 3.085) 12.183 14.511 ( -0.144 3.673 -4.189) 5.573 14.973 ( -2.105 -1.364 -3.976) 4.701 16.047 ( 2.645 0.586 7.472) 7.947 16.360 ( 4.109 5.140 8.163) 10.485 16.526 ( -11.207 -2.623 0.173) 11.511 17.467 ( 2.789 -9.464 -3.223) 10.380 19.638 ( 0.307 -4.923 35.955) 36.292 21.975 ( -0.175 -4.761 -6.015) 7.673 25.770 ( -1.608 5.281 23.856) 24.486 26.748 ( 0.389 -0.458 11.577) 11.592 28.222 ( -6.085 -8.062 -9.434) 13.821 28.928 ( -5.390 0.053 -7.168) 8.969 30.726 ( 1.030 -4.506 -0.067) 4.623 31.243 ( 14.370 5.326 -9.179) 17.864 ======================= Grid point 380 (114/216) ======================= q-point: ( 0.45 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( 3.442 -14.240 -3.820) 15.139 4.366 ( 6.855 -8.418 17.500) 20.594 4.619 ( 0.798 7.071 -3.835) 8.083 5.223 ( 10.827 -0.622 -0.879) 10.881 5.607 ( -19.628 1.400 13.959) 24.126 6.356 ( 2.139 15.695 0.774) 15.859 7.503 ( 7.067 -15.406 8.556) 18.987 7.815 ( -3.800 -0.692 9.562) 10.313 8.426 ( -4.564 -19.753 -23.590) 31.105 8.761 ( 4.888 21.143 -22.395) 31.184 9.531 ( 1.078 -1.398 -27.803) 27.859 10.010 ( 2.810 1.107 0.294) 3.035 10.312 ( -5.122 0.676 -0.295) 5.174 10.523 ( -0.675 8.628 0.001) 8.654 11.278 ( -4.268 -2.157 -10.481) 11.520 11.400 ( -3.304 8.488 -9.636) 13.260 12.776 ( 3.294 -12.001 8.592) 15.122 13.030 ( -5.457 8.703 10.438) 14.645 13.466 ( 3.753 1.408 4.282) 5.865 13.648 ( -1.214 0.669 7.183) 7.316 13.968 ( 1.453 -2.083 5.548) 6.102 14.247 ( 8.286 -2.061 -3.562) 9.252 14.391 ( -5.622 5.804 -6.354) 10.279 14.996 ( -0.021 -1.334 -2.063) 2.457 16.101 ( 6.083 -2.103 7.661) 10.006 16.232 ( -5.665 5.912 4.928) 9.557 16.524 ( -2.207 -2.185 4.642) 5.585 17.594 ( 0.908 -3.283 -3.390) 4.806 19.703 ( 0.250 -2.023 36.134) 36.191 22.027 ( -0.043 -1.522 -5.089) 5.311 25.703 ( -0.494 1.584 24.051) 24.109 26.757 ( 0.183 -0.199 11.440) 11.443 28.276 ( -2.304 -3.038 -10.099) 10.795 28.890 ( -1.496 0.403 -7.820) 7.972 30.788 ( 0.234 -1.861 -0.222) 1.889 31.270 ( 4.901 2.208 -7.296) 9.062 ======================= Grid point 387 (115/216) ======================= q-point: ( 0.09 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 9.604 -0.000 34.559) 35.868 3.015 ( 5.954 -0.000 42.382) 42.798 4.469 ( 14.497 -0.000 51.743) 53.736 5.046 ( 10.576 -0.000 -37.090) 38.568 5.384 ( -0.885 0.000 -42.437) 42.447 5.915 ( 0.773 -0.000 -20.326) 20.340 6.521 ( 6.964 -0.000 -7.132) 9.968 8.209 ( -9.741 0.000 -36.363) 37.646 8.948 ( -8.778 0.000 -3.109) 9.312 9.170 ( 2.241 -0.000 -16.065) 16.221 9.302 ( 0.634 -0.000 -14.258) 14.272 10.460 ( -4.992 0.000 -9.859) 11.051 11.127 ( -21.141 0.000 16.602) 26.881 11.587 ( -19.272 0.000 8.380) 21.015 11.740 ( 3.147 -0.000 18.495) 18.761 12.176 ( 8.934 -0.000 6.086) 10.810 12.441 ( 15.538 -0.000 11.849) 19.540 13.172 ( -5.754 0.000 -4.746) 7.459 13.395 ( -5.750 0.000 0.175) 5.753 13.709 ( -4.956 0.000 -4.891) 6.962 13.854 ( 14.379 -0.000 2.000) 14.517 14.212 ( -9.394 0.000 -8.453) 12.637 15.284 ( -0.928 0.000 -0.864) 1.268 15.284 ( -3.829 0.000 0.391) 3.849 15.969 ( -7.590 0.000 5.157) 9.176 16.247 ( 1.134 0.000 4.418) 4.561 16.247 ( -1.113 0.000 5.592) 5.702 16.864 ( 21.492 -0.000 -2.875) 21.683 19.602 ( -9.088 0.000 26.786) 28.285 21.429 ( 0.304 -0.000 -2.770) 2.787 26.622 ( 0.510 -0.000 9.405) 9.419 26.924 ( -19.931 0.000 5.401) 20.650 27.378 ( -0.169 0.000 12.078) 12.079 29.019 ( -19.143 0.000 -3.805) 19.518 30.445 ( 1.283 -0.000 1.130) 1.709 31.039 ( 41.184 -0.000 -18.929) 45.326 ======================= Grid point 388 (116/216) ======================= q-point: ( 0.18 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 7.122 -5.659 30.759) 32.076 3.153 ( 9.916 -7.184 36.686) 38.676 4.714 ( 15.787 -6.398 29.586) 34.139 4.958 ( 11.297 10.989 -26.190) 30.566 5.622 ( 10.853 -15.311 -22.309) 29.153 5.988 ( -2.506 -7.948 -19.394) 21.109 6.641 ( 9.609 -4.461 -10.886) 15.191 7.998 ( -12.278 9.101 -25.597) 29.812 8.750 ( -10.338 12.814 -0.177) 16.465 9.224 ( 0.436 -5.100 -22.336) 22.915 9.345 ( -0.197 -3.216 -16.014) 16.335 10.430 ( -11.232 -2.980 -4.671) 12.525 10.791 ( -8.593 14.622 6.886) 18.305 11.324 ( -16.198 10.366 8.410) 20.990 11.775 ( -0.493 -2.928 12.887) 13.224 12.280 ( -1.477 -1.824 6.563) 6.970 12.528 ( 8.728 6.610 7.360) 13.192 13.080 ( -5.705 0.611 -5.934) 8.255 13.386 ( -1.210 -1.781 2.516) 3.312 13.611 ( 1.953 4.048 1.474) 4.730 13.984 ( -2.907 1.932 -0.983) 3.626 14.180 ( 4.521 -7.668 -4.230) 9.855 15.082 ( -5.124 16.688 3.395) 17.784 15.219 ( -2.797 5.304 -2.383) 6.452 15.929 ( -7.433 -4.941 8.517) 12.337 16.179 ( 1.367 -0.531 3.643) 3.927 16.500 ( 0.622 -16.339 4.408) 16.935 17.025 ( 19.100 5.474 -5.568) 20.635 19.495 ( -7.375 0.973 31.338) 32.209 21.520 ( -0.047 -9.332 -4.568) 10.390 26.425 ( -9.740 17.326 15.445) 25.172 26.729 ( -4.836 -0.573 12.334) 13.260 27.571 ( -6.422 -17.999 4.200) 19.567 28.902 ( -9.874 -2.299 -3.401) 10.693 30.481 ( 1.478 -2.455 2.180) 3.601 31.377 ( 34.941 4.745 -22.903) 42.046 ======================= Grid point 389 (117/216) ======================= q-point: ( 0.27 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 6.873 -9.847 26.436) 29.035 3.439 ( 10.178 -14.171 27.703) 32.739 4.759 ( 17.468 10.627 -22.225) 30.200 5.138 ( 5.413 -10.914 7.010) 14.056 5.947 ( 3.659 -4.565 2.899) 6.529 6.175 ( 11.360 -17.326 -6.927) 21.845 6.826 ( 7.023 -6.737 -21.890) 23.956 7.767 ( -10.951 3.223 -11.194) 15.988 8.349 ( -11.975 19.387 1.168) 22.817 9.292 ( -1.385 -1.730 -20.895) 21.012 9.400 ( 0.605 -3.517 -22.226) 22.511 10.268 ( -11.327 5.507 5.786) 13.860 10.621 ( -0.756 3.485 -7.691) 8.477 10.984 ( -11.864 12.191 2.403) 17.179 11.747 ( -3.370 6.292 8.459) 11.068 12.208 ( -4.621 6.098 7.967) 11.046 12.346 ( -4.392 11.216 -6.136) 13.518 13.105 ( -4.813 -6.568 -1.205) 8.231 13.423 ( 2.955 -3.195 9.990) 10.896 13.608 ( 4.874 2.199 4.153) 6.770 13.926 ( 0.273 0.451 -2.688) 2.739 14.400 ( 6.679 -8.102 -2.521) 10.799 14.713 ( -4.876 18.309 8.047) 20.586 15.075 ( -3.756 7.130 -4.410) 9.187 15.977 ( -5.444 -6.829 9.708) 13.059 16.226 ( -0.056 -3.469 3.981) 5.281 16.714 ( 2.496 -3.420 3.335) 5.390 17.097 ( 9.966 -1.191 -5.976) 11.681 19.470 ( -2.322 -3.578 34.441) 34.704 21.699 ( -0.266 -10.937 -6.237) 12.593 26.072 ( -7.743 12.757 21.910) 26.510 26.728 ( -0.471 -1.074 11.715) 11.773 27.789 ( -8.455 -16.307 -1.241) 18.411 28.881 ( -3.732 -2.299 -4.970) 6.626 30.549 ( 0.614 -4.197 2.962) 5.174 31.549 ( 26.013 9.563 -20.371) 34.396 ======================= Grid point 390 (118/216) ======================= q-point: ( 0.36 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 8.387 -15.147 16.732) 24.077 3.797 ( 5.477 -18.498 19.218) 27.231 4.836 ( 25.246 5.425 -16.209) 30.488 5.258 ( -2.313 -2.035 -1.510) 3.431 5.827 ( -11.016 10.157 4.398) 15.616 6.714 ( 16.219 -22.621 17.066) 32.650 6.972 ( 4.981 -1.626 -21.422) 22.053 7.607 ( -12.955 3.571 -4.132) 14.059 8.047 ( -5.481 0.625 -4.032) 6.833 9.248 ( -0.449 5.502 -20.138) 20.881 9.458 ( -0.805 -2.872 -23.128) 23.320 10.143 ( 1.448 3.196 1.782) 3.935 10.489 ( -7.331 9.147 -2.482) 11.982 10.749 ( -7.272 3.675 -7.630) 11.162 11.514 ( -3.751 14.629 0.976) 15.134 11.873 ( -8.092 18.658 -4.542) 20.839 12.358 ( 0.539 -9.517 3.347) 10.103 13.129 ( -7.551 -3.101 4.956) 9.549 13.532 ( 6.461 -0.700 11.030) 12.802 13.628 ( 2.540 -2.115 5.191) 6.154 13.934 ( 2.190 1.734 -3.287) 4.314 14.384 ( -2.688 10.043 7.578) 12.865 14.575 ( 3.661 0.037 -4.468) 5.776 14.944 ( -3.164 2.566 -3.185) 5.171 16.033 ( -1.432 -3.894 11.660) 12.376 16.274 ( -6.952 -5.165 4.659) 9.834 16.657 ( 8.033 12.187 0.348) 14.600 17.290 ( 1.574 -12.306 -3.978) 13.029 19.550 ( 0.729 -5.898 35.528) 36.022 21.864 ( -0.040 -8.359 -6.121) 10.360 25.847 ( -4.581 7.172 23.630) 25.116 26.744 ( 0.528 -0.731 11.467) 11.502 27.967 ( -6.683 -13.711 -4.924) 16.028 28.890 ( -0.501 -0.861 -6.625) 6.700 30.625 ( -1.451 -5.012 3.271) 6.158 31.576 ( 18.319 12.127 -15.768) 27.043 ======================= Grid point 391 (119/216) ======================= q-point: ( 0.45 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( 6.518 -17.283 5.415) 19.248 4.152 ( 2.221 -18.070 13.184) 22.478 4.927 ( 15.859 14.205 -7.973) 22.735 5.244 ( -4.112 -0.439 -1.487) 4.395 5.546 ( -2.391 6.279 12.916) 14.559 6.674 ( -8.746 20.987 0.951) 22.756 7.299 ( 11.914 -19.683 17.224) 28.741 7.615 ( -6.149 -13.641 -16.755) 22.464 8.118 ( -3.269 -9.803 -7.255) 12.626 9.097 ( 0.864 12.707 -24.039) 27.204 9.490 ( -1.539 -2.712 -22.843) 23.055 10.152 ( 8.181 3.893 0.875) 9.102 10.254 ( -7.586 6.575 -0.497) 10.052 10.650 ( -3.696 3.264 -8.532) 9.854 11.236 ( -6.837 10.186 -5.769) 13.557 11.579 ( 1.121 10.271 -7.141) 12.560 12.581 ( 3.302 -13.385 6.234) 15.130 13.069 ( -6.346 2.041 8.633) 10.907 13.524 ( 0.352 4.057 9.194) 10.056 13.705 ( 4.883 0.264 5.536) 7.387 13.917 ( -2.090 -1.186 2.064) 3.167 14.273 ( -1.146 1.494 1.509) 2.413 14.506 ( 0.271 8.588 -8.446) 12.048 14.951 ( -0.555 -3.555 -1.257) 3.811 16.095 ( 1.824 -3.306 14.664) 15.142 16.218 ( -11.439 1.329 3.355) 11.995 16.577 ( 9.723 6.091 -0.080) 11.474 17.483 ( -1.093 -9.491 -3.510) 10.178 19.655 ( 1.439 -4.569 35.949) 36.267 21.975 ( 0.176 -4.768 -5.290) 7.124 25.728 ( -2.527 3.089 23.930) 24.261 26.759 ( 0.715 -0.215 11.327) 11.351 28.128 ( -2.981 -10.767 -7.774) 13.611 28.897 ( 1.362 0.445 -7.741) 7.873 30.683 ( -4.429 -4.951 2.979) 7.280 31.509 ( 11.885 12.664 -11.646) 20.911 ======================= Grid point 392 (120/216) ======================= q-point: ( 0.55 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( 0.293 -7.694 -4.068) 8.708 4.349 ( -4.435 -0.660 5.621) 7.190 4.736 ( 7.302 12.551 7.782) 16.474 5.087 ( -14.921 -0.114 8.422) 17.134 5.747 ( 24.467 -7.861 5.253) 26.230 6.257 ( -11.180 12.264 2.719) 16.816 7.613 ( -0.551 -6.166 9.400) 11.255 7.744 ( 0.246 -4.086 4.968) 6.437 8.297 ( -8.177 -18.560 -16.859) 26.374 8.847 ( 3.789 18.242 -29.169) 34.611 9.513 ( -2.184 -1.202 -27.111) 27.225 10.075 ( -1.108 4.032 1.574) 4.468 10.215 ( 0.516 -1.129 1.031) 1.614 10.571 ( 4.275 4.820 -4.229) 7.707 11.139 ( -5.495 -7.358 -9.278) 13.054 11.529 ( 11.963 4.787 -9.066) 15.755 12.807 ( -2.721 -7.457 8.959) 11.970 12.981 ( 2.629 1.021 9.368) 9.783 13.432 ( -4.432 3.513 7.059) 9.045 13.719 ( 5.744 2.938 6.288) 9.009 13.910 ( -7.917 -2.168 4.902) 9.561 14.230 ( -5.262 3.306 -2.777) 6.807 14.409 ( 4.010 1.706 -7.229) 8.441 14.994 ( -0.607 -1.523 -3.563) 3.922 16.063 ( -8.590 2.760 4.692) 10.170 16.185 ( 1.841 -4.124 15.501) 16.146 16.610 ( 8.821 1.575 -1.102) 9.028 17.576 ( -2.643 -3.377 -3.389) 5.466 19.716 ( 1.005 -0.990 36.088) 36.116 22.030 ( 0.263 -1.435 -4.877) 5.090 25.685 ( -1.210 -0.039 23.916) 23.947 26.764 ( 0.456 0.363 11.253) 11.268 28.265 ( 1.100 -6.128 -9.895) 11.691 28.911 ( 3.335 0.065 -8.178) 8.832 30.702 ( -7.736 -4.124 2.102) 9.015 31.387 ( 5.967 11.858 -8.743) 15.896 ======================= Grid point 393 (121/216) ======================= q-point: (-0.36 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( -4.446 16.696 0.089) 17.278 4.100 ( -16.043 12.247 10.805) 22.893 4.663 ( 2.242 8.242 3.113) 9.091 5.138 ( 4.661 -11.459 4.375) 13.122 5.979 ( 5.610 3.003 1.794) 6.611 6.256 ( 2.613 -19.757 0.743) 19.943 7.390 ( -5.050 23.636 18.041) 30.160 7.847 ( -0.604 -5.151 7.472) 9.096 8.435 ( -4.111 4.700 -28.501) 29.176 8.713 ( 1.246 -8.224 -21.884) 23.412 9.470 ( -4.249 1.687 -25.925) 26.325 10.022 ( 3.316 3.474 -3.891) 6.181 10.325 ( -2.637 -13.455 0.678) 13.727 10.612 ( 6.244 -4.462 -2.249) 7.997 11.322 ( 4.224 -10.443 -2.599) 11.561 11.609 ( 12.461 -0.663 -14.007) 18.760 12.741 ( 0.156 6.030 10.172) 11.826 13.132 ( 3.831 -7.932 9.159) 12.708 13.339 ( -6.170 1.138 6.449) 8.997 13.715 ( 2.367 4.122 5.250) 7.082 13.846 ( -10.700 -3.672 6.136) 12.870 14.097 ( -4.143 4.858 -2.658) 6.916 14.470 ( 1.625 -2.590 -3.423) 4.589 14.996 ( -0.256 0.006 -7.799) 7.803 15.985 ( -4.782 -1.463 4.815) 6.942 16.257 ( -1.278 -3.263 17.581) 17.927 16.684 ( 11.179 1.148 -3.397) 11.740 17.543 ( -4.095 3.450 -3.129) 6.201 19.706 ( 0.411 2.871 36.036) 36.152 22.031 ( 0.275 1.588 -5.397) 5.633 25.704 ( -0.246 -3.094 23.810) 24.012 26.757 ( 0.081 0.732 11.297) 11.321 28.341 ( 3.723 0.264 -11.008) 11.624 28.975 ( 7.037 -1.978 -8.493) 11.206 30.670 ( -10.678 -2.697 0.894) 11.050 31.228 ( 0.078 10.327 -7.035) 12.496 ======================= Grid point 394 (122/216) ======================= q-point: (-0.27 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( -2.330 20.411 15.301) 25.616 3.704 ( -17.458 14.456 18.606) 29.325 4.506 ( 0.233 8.962 -7.606) 11.757 5.407 ( 10.719 -6.586 -4.362) 13.315 5.968 ( -6.474 -1.487 -8.109) 10.482 6.569 ( 1.684 -4.522 4.752) 6.773 6.881 ( -5.666 21.450 16.481) 27.638 7.894 ( 3.384 0.035 0.879) 3.497 8.267 ( 2.241 7.768 -24.891) 26.171 8.951 ( -3.114 -16.165 -15.653) 22.716 9.417 ( -3.349 -0.307 -23.108) 23.351 10.063 ( 3.283 -5.678 -5.951) 8.856 10.522 ( 1.057 -9.495 1.477) 9.667 10.885 ( 6.982 -19.173 -2.586) 20.568 11.393 ( 2.581 6.103 -1.360) 6.764 11.860 ( 8.237 -15.576 -9.335) 19.940 12.698 ( 10.565 5.226 9.233) 14.973 13.214 ( -9.169 -3.520 4.934) 10.991 13.312 ( 3.156 -0.695 8.465) 9.061 13.589 ( -7.068 5.430 2.742) 9.325 13.891 ( -3.908 -7.733 8.722) 12.295 14.017 ( -3.324 -0.490 -1.078) 3.529 14.481 ( -2.891 0.265 0.759) 3.001 15.022 ( 2.325 -2.328 -10.923) 11.408 16.009 ( -1.110 -4.024 4.535) 6.163 16.260 ( -4.240 -0.406 16.442) 16.985 16.781 ( 12.230 1.403 -4.186) 13.002 17.381 ( -5.568 9.951 -2.550) 11.685 19.639 ( 0.296 4.817 35.730) 36.054 21.981 ( 0.282 4.693 -6.720) 8.201 25.790 ( 0.537 -7.007 23.432) 24.463 26.744 ( -0.102 0.654 11.562) 11.581 28.327 ( 3.963 5.693 -10.938) 12.952 29.114 ( 12.557 -2.887 -9.828) 16.205 30.588 ( -12.800 -1.198 -0.056) 12.856 31.039 ( -5.240 9.079 -6.019) 12.088 ======================= Grid point 395 (123/216) ======================= q-point: (-0.18 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 2.115 15.081 28.377) 32.205 3.300 ( -12.701 14.544 29.735) 35.454 4.429 ( 0.112 -0.593 -21.761) 21.769 5.406 ( 4.518 21.112 18.745) 28.591 5.802 ( -10.600 8.159 -17.228) 21.811 6.434 ( 7.751 6.705 0.747) 10.275 6.699 ( -7.870 7.718 -16.949) 20.218 7.928 ( 2.757 -0.334 -5.054) 5.767 8.323 ( 3.513 -11.665 -11.102) 16.483 9.164 ( -1.537 -11.403 -13.585) 17.803 9.396 ( -1.332 1.255 -25.822) 25.886 10.296 ( 3.834 -17.303 -1.778) 17.811 10.697 ( 2.997 -9.980 6.503) 12.283 11.145 ( 4.370 9.181 -2.927) 10.581 11.408 ( -2.563 -21.916 -0.183) 22.066 12.180 ( 4.331 -12.371 1.013) 13.146 12.708 ( 9.401 7.837 11.429) 16.746 13.167 ( -6.085 -1.561 2.052) 6.609 13.316 ( -0.056 3.598 -5.851) 6.869 13.502 ( -1.590 -2.651 11.095) 11.517 13.960 ( 2.889 -1.853 1.875) 3.911 14.060 ( -9.484 -8.428 1.150) 12.740 14.479 ( -1.626 -6.526 5.851) 8.915 15.109 ( 2.587 -4.479 -9.644) 10.944 16.074 ( 0.939 -3.105 2.918) 4.363 16.202 ( -4.027 1.908 14.178) 14.862 16.847 ( 9.426 4.088 -3.769) 10.943 17.108 ( -6.668 14.923 -1.453) 16.409 19.572 ( 0.681 2.919 34.660) 34.789 21.876 ( 0.253 8.085 -8.048) 11.410 25.960 ( 0.916 -12.451 22.048) 25.338 26.737 ( 0.005 -0.012 12.151) 12.151 28.228 ( 2.667 9.942 -10.217) 14.503 29.299 ( 15.241 -2.161 -13.286) 20.334 30.471 ( -13.077 -0.303 0.218) 13.083 30.823 ( -6.784 9.101 -4.466) 12.198 ======================= Grid point 396 (124/216) ======================= q-point: (-0.09 0.09 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 0.000 16.479 34.075) 37.851 3.081 ( 0.000 4.707 40.286) 40.560 4.531 ( -0.000 -10.773 -33.482) 35.172 4.887 ( 0.000 32.378 46.056) 56.298 5.647 ( 0.000 6.655 -31.694) 32.385 6.376 ( 0.000 20.235 -29.708) 35.944 6.481 ( -0.000 -0.600 -6.176) 6.205 8.001 ( -0.000 -7.659 -18.200) 19.746 8.628 ( -0.000 -19.147 -3.292) 19.428 9.296 ( -0.000 -4.828 -12.726) 13.611 9.329 ( 0.000 5.916 -26.445) 27.099 10.615 ( -0.000 -10.466 -8.291) 13.352 10.966 ( -0.000 -17.860 15.345) 23.546 10.985 ( -0.000 -0.601 7.038) 7.064 11.785 ( -0.000 -18.697 2.551) 18.870 12.292 ( 0.000 2.234 7.478) 7.804 12.566 ( 0.000 13.328 16.532) 21.236 13.182 ( -0.000 -2.308 -1.264) 2.631 13.280 ( -0.000 -2.977 -10.946) 11.344 13.567 ( -0.000 -2.324 10.481) 10.735 14.038 ( 0.000 3.135 -4.614) 5.578 14.060 ( -0.000 -7.486 -2.933) 8.040 14.732 ( -0.000 -22.155 8.603) 23.767 15.204 ( -0.000 -4.965 -5.894) 7.707 16.118 ( -0.000 -0.877 -0.677) 1.108 16.140 ( 0.000 2.288 13.339) 13.534 16.769 ( 0.000 17.968 1.568) 18.036 16.812 ( 0.000 7.267 -3.468) 8.052 19.571 ( -0.000 -2.317 31.731) 31.815 21.713 ( 0.000 11.103 -7.864) 13.606 26.228 ( -0.000 -18.271 17.920) 25.592 26.750 ( -0.000 -1.960 13.156) 13.301 28.031 ( 0.000 15.352 -8.509) 17.552 29.417 ( 0.000 0.001 -17.249) 17.249 30.390 ( -0.000 -0.204 1.539) 1.552 30.632 ( 0.000 8.209 -2.244) 8.510 ======================= Grid point 399 (125/216) ======================= q-point: ( 0.18 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 7.162 -0.000 25.601) 26.584 3.199 ( 13.119 -0.000 33.996) 36.440 4.781 ( 11.734 -0.000 22.896) 25.728 5.308 ( 14.906 -0.000 -31.916) 35.226 5.521 ( 20.143 -0.000 -11.517) 23.203 5.926 ( 0.303 -0.000 -12.692) 12.695 6.703 ( 11.235 -0.000 -8.203) 13.911 7.936 ( -18.079 0.000 -27.703) 33.080 8.751 ( -11.453 0.000 -0.290) 11.457 9.201 ( 1.362 -0.000 -19.711) 19.758 9.269 ( -5.110 0.000 -16.871) 17.628 10.310 ( -10.180 0.000 -3.430) 10.742 10.862 ( -3.759 0.000 2.891) 4.743 11.198 ( -20.412 0.000 8.028) 21.934 11.740 ( -1.973 0.000 11.974) 12.135 12.262 ( -0.402 0.000 0.484) 0.629 12.702 ( 9.268 -0.000 13.505) 16.380 13.018 ( -9.437 0.000 -5.686) 11.017 13.384 ( 4.809 -0.000 -2.063) 5.232 13.594 ( -7.425 0.000 5.132) 9.026 14.028 ( -7.412 0.000 -7.055) 10.233 14.105 ( 10.707 -0.000 1.033) 10.757 15.176 ( -7.311 0.000 0.363) 7.320 15.224 ( -5.385 0.000 -0.576) 5.416 15.831 ( -6.135 0.000 8.931) 10.835 16.153 ( -3.515 0.000 9.688) 10.306 16.368 ( 5.944 -0.000 2.289) 6.369 17.296 ( 21.135 -0.000 -7.340) 22.374 19.426 ( -7.138 0.000 31.668) 32.463 21.437 ( 0.442 -0.000 -3.033) 3.065 26.482 ( -22.566 0.000 17.969) 28.846 26.633 ( 0.530 -0.000 9.576) 9.591 27.381 ( 0.570 -0.000 10.357) 10.372 28.832 ( -1.587 0.000 -4.174) 4.466 30.477 ( 1.805 -0.000 4.094) 4.474 31.736 ( 28.936 -0.000 -27.470) 39.898 ======================= Grid point 400 (126/216) ======================= q-point: ( 0.27 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 6.986 -5.036 20.036) 21.808 3.386 ( 14.341 -5.230 27.916) 31.817 4.918 ( 5.201 -5.745 0.769) 7.788 5.277 ( 18.727 11.951 -14.513) 26.536 5.933 ( 4.008 -1.580 -1.822) 4.678 6.013 ( 21.673 -18.562 -4.629) 28.908 6.830 ( 8.991 -1.390 -11.877) 14.961 7.700 ( -17.571 4.037 -19.885) 26.841 8.522 ( -12.607 13.009 0.912) 18.139 9.198 ( -5.143 -3.139 -21.290) 22.126 9.307 ( -2.068 -6.370 -18.957) 20.105 10.206 ( -9.139 0.880 0.581) 9.199 10.745 ( -0.299 9.873 -4.282) 10.766 11.024 ( -10.626 2.678 3.657) 11.553 11.700 ( -6.499 0.619 8.545) 10.753 12.233 ( -3.801 1.182 -0.469) 4.008 12.616 ( 1.239 15.724 5.561) 16.725 12.963 ( -7.863 -3.362 -2.996) 9.061 13.381 ( 0.030 -0.454 5.914) 5.931 13.642 ( 2.151 -5.113 5.590) 7.875 13.933 ( 0.079 1.557 -5.368) 5.590 14.296 ( 5.004 -9.119 -1.286) 10.481 14.935 ( -9.261 15.570 3.380) 18.428 15.134 ( -6.563 4.302 -1.937) 8.083 15.806 ( -4.562 -4.628 13.159) 14.677 16.208 ( 1.743 -3.987 4.847) 6.514 16.511 ( 0.500 -12.037 4.664) 12.918 17.382 ( 16.197 10.965 -6.936) 20.753 19.395 ( -2.029 -2.285 32.780) 32.922 21.522 ( 0.224 -8.751 -4.216) 9.716 26.172 ( -14.034 10.197 21.541) 27.658 26.681 ( -0.876 -3.410 10.390) 10.970 27.489 ( -1.902 -10.958 6.493) 12.879 28.849 ( 2.480 -0.956 -5.695) 6.284 30.509 ( 1.326 -1.751 5.572) 5.989 31.924 ( 21.432 6.477 -25.764) 34.133 ======================= Grid point 401 (127/216) ======================= q-point: ( 0.36 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 6.700 -10.835 12.542) 17.877 3.632 ( 11.910 -8.836 20.389) 25.211 5.087 ( 10.800 -5.520 -5.107) 13.160 5.280 ( 11.322 6.834 -2.461) 13.452 5.913 ( -0.366 5.824 -3.296) 6.702 6.559 ( 19.834 -17.254 12.301) 29.024 6.882 ( -1.721 -3.007 -21.767) 22.041 7.543 ( -11.420 0.027 -7.684) 13.765 8.148 ( -6.657 14.978 -0.349) 16.395 9.194 ( -9.706 -4.295 -19.758) 22.429 9.397 ( 0.122 -4.457 -21.743) 22.196 10.147 ( -1.600 -1.211 -0.377) 2.042 10.552 ( -8.026 7.787 -4.932) 12.222 10.874 ( 2.741 11.183 -4.563) 12.385 11.585 ( -9.521 3.289 4.104) 10.877 12.148 ( -3.648 12.701 0.064) 13.215 12.317 ( 1.131 8.474 -1.000) 8.608 12.961 ( -9.635 -6.361 1.677) 11.666 13.481 ( 2.564 -8.207 10.104) 13.267 13.676 ( 2.733 2.749 5.202) 6.487 13.984 ( 4.467 -0.966 -3.770) 5.924 14.443 ( -2.593 -1.036 2.073) 3.478 14.606 ( -4.597 7.504 2.225) 9.077 14.978 ( -7.097 5.225 -3.509) 9.486 15.886 ( -3.146 -8.186 15.057) 17.424 16.235 ( 1.355 2.538 4.858) 5.646 16.745 ( 0.353 -12.532 4.040) 13.172 17.295 ( 9.528 11.411 -7.078) 16.465 19.462 ( 1.573 -5.331 33.846) 34.300 21.698 ( 0.191 -10.804 -5.331) 12.049 25.914 ( -7.905 7.568 23.225) 25.674 26.724 ( 0.010 -2.231 10.672) 10.903 27.675 ( -3.183 -13.634 1.387) 14.069 28.895 ( 3.720 -0.468 -7.032) 7.969 30.553 ( -0.252 -2.555 6.450) 6.942 31.947 ( 15.344 11.354 -21.119) 28.467 ======================= Grid point 402 (128/216) ======================= q-point: ( 0.45 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 4.235 -15.594 6.426) 17.390 3.921 ( 9.759 -12.686 13.496) 20.936 5.160 ( -8.956 3.498 7.236) 12.033 5.335 ( 20.481 5.401 -6.616) 22.190 5.734 ( 7.226 12.550 3.625) 14.928 6.802 ( -6.431 3.138 -6.685) 9.793 7.021 ( -4.729 -15.833 7.247) 18.043 7.417 ( -3.801 -3.198 -8.300) 9.673 8.045 ( 5.561 -0.659 -4.957) 7.479 9.151 ( -9.249 -1.530 -21.864) 23.789 9.447 ( 0.655 -1.278 -20.228) 20.279 10.191 ( -0.105 0.026 -3.854) 3.856 10.363 ( -3.390 3.522 -3.378) 5.942 10.706 ( 2.773 10.952 -9.741) 14.918 11.404 ( -5.789 11.539 0.648) 12.926 11.793 ( 0.257 15.946 -5.142) 16.757 12.412 ( 2.779 -9.839 4.346) 11.109 12.974 ( -7.809 -4.903 5.097) 10.535 13.608 ( 1.685 2.064 10.969) 11.288 13.683 ( 3.170 -5.226 4.418) 7.541 13.936 ( -3.463 6.986 2.014) 8.053 14.309 ( -2.051 4.205 2.971) 5.542 14.599 ( -1.265 1.607 -6.608) 6.918 14.875 ( -4.975 -2.047 -2.961) 6.140 16.000 ( -1.520 -7.565 16.336) 18.066 16.170 ( -3.015 3.738 8.352) 9.634 16.837 ( 9.229 7.612 -1.779) 12.095 17.292 ( -1.202 -7.364 -5.177) 9.081 19.582 ( 2.374 -5.922 34.949) 35.526 21.867 ( 0.318 -8.377 -5.245) 9.889 25.757 ( -4.323 4.206 23.568) 24.328 26.756 ( 0.608 -1.158 10.787) 10.866 27.885 ( -1.942 -14.054 -3.303) 14.567 28.930 ( 3.742 0.558 -7.980) 8.831 30.583 ( -2.717 -2.517 6.663) 7.623 31.855 ( 10.645 14.060 -16.400) 24.082 ======================= Grid point 403 (129/216) ======================= q-point: ( 0.55 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 2.351 -15.559 2.996) 16.018 4.218 ( 5.431 -11.902 5.325) 14.125 4.908 ( -17.821 9.049 10.891) 22.761 5.201 ( 10.368 19.264 3.031) 22.085 5.885 ( 25.420 -3.674 1.952) 25.758 6.422 ( -14.962 18.797 3.972) 24.351 7.276 ( -10.650 -20.177 10.855) 25.266 7.618 ( 1.116 -16.191 -17.794) 24.084 8.110 ( 2.437 0.348 -1.666) 2.973 9.066 ( -2.902 4.764 -29.519) 30.042 9.470 ( -0.005 -1.319 -21.189) 21.230 10.040 ( -8.865 5.581 -0.343) 10.481 10.423 ( 12.084 5.545 1.093) 13.340 10.608 ( 0.305 -0.808 -15.612) 15.636 11.101 ( -6.201 11.382 -3.230) 13.358 11.711 ( 11.210 3.615 -4.820) 12.726 12.606 ( -3.307 -11.198 8.002) 14.155 12.991 ( -0.061 -2.845 6.553) 7.144 13.510 ( -0.882 8.179 9.792) 12.789 13.759 ( -5.572 0.605 5.276) 7.697 13.829 ( -0.858 -1.702 6.311) 6.592 14.255 ( 0.978 3.127 -1.427) 3.573 14.496 ( -1.744 5.801 -8.603) 10.522 14.920 ( -3.121 -5.422 -4.751) 7.855 16.049 ( -5.372 3.600 8.740) 10.872 16.116 ( 0.235 -4.919 19.775) 20.379 16.778 ( 10.179 7.882 -6.377) 14.367 17.431 ( -4.012 -9.660 -3.367) 10.989 19.689 ( 1.828 -3.815 35.678) 35.928 21.981 ( 0.359 -4.743 -4.770) 6.736 25.680 ( -2.250 1.379 23.571) 23.718 26.773 ( 0.647 -0.094 10.823) 10.843 28.107 ( 0.368 -12.690 -7.322) 14.656 28.953 ( 3.781 0.719 -8.522) 9.351 30.581 ( -5.490 -1.886 6.278) 8.551 31.689 ( 6.680 15.190 -12.654) 20.868 ======================= Grid point 404 (130/216) ======================= q-point: (-0.36 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( -3.835 0.448 1.162) 4.033 4.275 ( -2.526 12.678 -3.813) 13.478 4.694 ( -7.471 -4.431 15.278) 17.575 5.108 ( 13.446 2.848 10.308) 17.181 5.910 ( -16.097 7.131 5.892) 18.566 6.299 ( 23.331 -1.193 -4.401) 23.772 7.438 ( -13.829 -12.380 18.962) 26.534 7.835 ( 5.952 2.759 -2.943) 7.190 8.129 ( -8.667 -14.094 -12.812) 20.927 8.919 ( 3.615 13.066 -35.802) 38.283 9.466 ( -2.335 1.428 -26.885) 27.024 9.984 ( -4.623 -8.945 5.342) 11.398 10.297 ( 4.010 13.853 -4.448) 15.092 10.652 ( 3.206 1.405 -6.576) 7.450 11.107 ( 1.537 -14.483 -5.661) 15.625 11.785 ( 12.802 3.763 -8.317) 15.724 12.695 ( -6.923 -6.763 11.685) 15.173 13.090 ( 6.530 -3.600 6.581) 9.945 13.361 ( -2.217 6.141 9.781) 11.760 13.670 ( -12.598 -1.209 6.547) 14.249 13.827 ( 2.808 3.944 3.833) 6.175 14.181 ( -0.119 6.175 -0.433) 6.191 14.448 ( 0.271 -0.937 -6.520) 6.592 14.962 ( -2.364 -2.746 -9.779) 10.429 15.943 ( -3.555 2.090 9.170) 10.055 16.196 ( -0.248 -3.740 20.617) 20.955 16.792 ( 8.407 1.464 -7.153) 11.135 17.505 ( -4.017 -3.309 -2.986) 6.000 19.737 ( 0.939 -0.149 35.952) 35.964 22.035 ( 0.290 -1.379 -4.793) 4.996 25.662 ( -0.992 -1.130 23.560) 23.608 26.772 ( 0.349 0.728 10.870) 10.900 28.301 ( 1.972 -8.131 -10.325) 13.289 28.997 ( 4.696 -1.772 -9.144) 10.431 30.540 ( -7.636 -0.860 5.529) 9.467 31.477 ( 3.174 15.317 -9.880) 18.502 ======================= Grid point 405 (131/216) ======================= q-point: (-0.27 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( -5.489 12.486 6.639) 15.169 3.898 ( -3.819 23.211 5.325) 24.118 4.683 ( 0.252 7.031 8.597) 11.109 5.346 ( 13.938 -11.645 2.083) 18.281 5.752 ( -16.471 -7.844 -2.468) 18.410 6.523 ( 12.149 -3.739 -2.978) 13.055 7.288 ( -4.683 22.046 24.597) 33.361 7.816 ( -1.466 -6.450 9.593) 11.652 8.341 ( -3.412 -8.191 -28.977) 30.305 8.765 ( 2.300 3.065 -27.011) 27.281 9.402 ( -2.137 2.103 -23.707) 23.896 10.099 ( 3.603 5.485 -8.516) 10.752 10.257 ( -3.308 -18.111 1.220) 18.451 10.701 ( 2.429 -5.990 -2.797) 7.043 11.423 ( 4.126 -13.454 1.900) 14.200 11.794 ( 5.373 3.408 -16.015) 17.232 12.768 ( 1.527 -5.395 12.289) 13.508 13.140 ( -1.227 1.979 4.950) 5.470 13.324 ( 4.042 -1.371 11.617) 12.376 13.546 ( -12.469 1.259 3.096) 12.909 13.789 ( 0.646 1.314 6.158) 6.330 14.083 ( 1.004 5.175 0.092) 5.272 14.466 ( -1.060 -0.196 -1.069) 1.519 14.988 ( -0.375 -2.570 -14.722) 14.949 15.930 ( -1.143 -3.006 7.987) 8.610 16.229 ( -0.996 -0.927 20.055) 20.101 16.869 ( 6.101 -1.404 -6.727) 9.189 17.460 ( -3.273 4.374 -2.460) 5.991 19.714 ( 0.286 3.317 35.912) 36.066 22.035 ( 0.159 1.609 -5.638) 5.865 25.699 ( -0.222 -3.919 23.514) 23.839 26.758 ( 0.063 1.027 11.070) 11.117 28.396 ( 1.557 -0.800 -11.451) 11.584 29.119 ( 5.612 -6.381 -11.321) 14.156 30.468 ( -7.331 0.413 4.859) 8.805 31.239 ( 0.499 14.745 -7.673) 16.629 ======================= Grid point 406 (132/216) ======================= q-point: (-0.18 0.18 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 0.000 14.702 15.183) 21.135 3.490 ( 0.000 20.668 19.500) 28.415 4.516 ( 0.000 9.630 -5.052) 10.874 5.607 ( -0.000 -4.635 4.573) 6.511 5.769 ( -0.000 -2.902 -19.600) 19.814 6.671 ( -0.000 -5.708 -2.107) 6.084 6.779 ( 0.000 28.994 22.652) 36.794 7.925 ( -0.000 -3.711 4.413) 5.766 8.286 ( 0.000 5.091 -29.196) 29.636 8.922 ( -0.000 -14.942 -15.151) 21.280 9.382 ( -0.000 -0.865 -21.696) 21.714 10.105 ( -0.000 -5.994 -8.855) 10.693 10.523 ( -0.000 -12.121 2.897) 12.463 10.961 ( -0.000 -22.955 -2.041) 23.045 11.419 ( 0.000 12.835 -0.625) 12.850 11.953 ( -0.000 -15.931 -8.882) 18.240 12.844 ( 0.000 0.788 11.745) 11.771 13.098 ( -0.000 -0.549 4.082) 4.119 13.410 ( 0.000 4.956 -6.068) 7.835 13.414 ( -0.000 -3.996 14.718) 15.251 13.830 ( -0.000 -6.917 9.033) 11.377 14.023 ( 0.000 2.901 0.467) 2.939 14.441 ( 0.000 1.139 1.648) 2.003 15.046 ( -0.000 -4.105 -14.111) 14.696 16.001 ( -0.000 -5.147 5.061) 7.219 16.216 ( 0.000 1.442 18.239) 18.296 16.924 ( -0.000 -0.468 -6.074) 6.092 17.305 ( 0.000 11.469 -1.505) 11.568 19.643 ( 0.000 4.688 35.591) 35.899 21.984 ( 0.000 4.645 -7.024) 8.421 25.794 ( -0.000 -7.623 23.197) 24.418 26.743 ( 0.000 0.716 11.509) 11.532 28.365 ( 0.000 5.040 -11.117) 12.206 29.281 ( -0.000 -7.531 -14.650) 16.473 30.409 ( 0.000 1.114 4.185) 4.331 30.999 ( 0.000 13.319 -5.592) 14.446 ======================= Grid point 411 (133/216) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 6.360 -0.000 11.034) 12.735 3.521 ( 19.795 -0.000 26.798) 33.316 4.896 ( 3.811 -0.000 2.003) 4.305 5.529 ( 4.145 -0.000 -15.318) 15.869 5.961 ( 5.502 -0.000 -11.426) 12.682 6.114 ( 34.618 -0.000 12.340) 36.751 6.939 ( 13.022 -0.000 -6.572) 14.587 7.538 ( -21.605 0.000 -23.950) 32.255 8.508 ( -13.261 0.000 -0.944) 13.295 9.088 ( -13.232 0.000 -15.167) 20.128 9.236 ( 2.520 -0.000 -22.973) 23.110 10.141 ( -5.398 0.000 -2.373) 5.897 10.817 ( -18.169 0.000 8.299) 19.974 10.960 ( 11.721 -0.000 -9.126) 14.855 11.690 ( -2.603 0.000 6.969) 7.439 12.170 ( -8.021 0.000 -5.155) 9.535 12.787 ( 0.058 -0.000 10.510) 10.510 12.812 ( -12.276 0.000 -1.441) 12.361 13.433 ( -7.616 0.000 8.569) 11.464 13.546 ( 10.304 -0.000 -2.436) 10.588 13.963 ( 0.101 -0.000 -4.749) 4.750 14.244 ( 3.376 -0.000 -1.613) 3.742 15.007 ( -9.718 0.000 0.904) 9.760 15.086 ( -8.306 0.000 0.238) 8.309 15.752 ( -1.827 0.000 14.570) 14.684 16.100 ( -2.088 0.000 9.845) 10.064 16.474 ( 4.922 -0.000 2.924) 5.726 17.628 ( 12.373 -0.000 -4.592) 13.198 19.372 ( 1.742 -0.000 29.794) 29.844 21.445 ( 0.401 -0.000 -3.219) 3.244 26.112 ( -15.168 0.000 22.393) 27.046 26.640 ( 0.159 -0.000 9.396) 9.397 27.403 ( 1.742 -0.000 8.833) 9.003 28.883 ( 5.375 -0.000 -6.820) 8.684 30.510 ( 1.498 -0.000 7.601) 7.747 32.160 ( 15.515 -0.000 -26.404) 30.625 ======================= Grid point 412 (134/216) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 4.872 -4.925 2.162) 7.258 3.725 ( 20.726 -0.553 23.377) 31.247 5.015 ( 5.565 -7.693 5.329) 10.888 5.474 ( -0.972 4.402 1.427) 4.728 6.025 ( 10.201 1.760 -15.954) 19.018 6.518 ( 21.813 -9.754 11.085) 26.340 6.957 ( 3.458 10.121 -13.602) 17.303 7.397 ( -10.128 -4.620 -14.126) 17.985 8.292 ( -10.149 9.549 -2.229) 14.112 8.989 ( -14.538 -4.606 -15.054) 21.429 9.315 ( 2.092 -5.131 -24.486) 25.106 10.114 ( -0.851 -0.833 -4.464) 4.620 10.587 ( -12.466 6.662 4.532) 14.843 11.080 ( 11.973 3.447 -9.139) 15.452 11.580 ( -4.515 6.799 3.937) 9.061 12.141 ( -4.807 -3.845 -3.602) 7.132 12.594 ( -4.623 16.846 2.167) 17.603 12.745 ( -12.997 -4.875 2.962) 14.194 13.379 ( -0.067 -3.906 7.880) 8.795 13.722 ( 5.562 -3.043 2.782) 6.924 13.975 ( 3.239 -2.689 -4.428) 6.110 14.344 ( 0.147 -7.763 -2.642) 8.202 14.742 ( -10.211 15.450 3.540) 18.855 14.977 ( -8.706 4.043 -0.415) 9.608 15.760 ( -0.504 -3.738 17.606) 18.006 16.245 ( 1.918 -10.671 5.863) 12.326 16.518 ( 0.274 -3.950 4.844) 6.256 17.623 ( 8.586 11.565 -3.133) 14.741 19.422 ( 4.175 -2.168 29.001) 29.380 21.528 ( 0.344 -8.577 -3.970) 9.457 25.937 ( -9.703 4.905 22.906) 25.355 26.672 ( -0.238 -3.140 9.485) 9.994 27.484 ( 0.954 -7.207 6.478) 9.737 28.939 ( 5.727 0.062 -7.778) 9.660 30.529 ( 0.732 -0.750 8.909) 8.970 32.229 ( 10.790 6.530 -23.598) 26.756 ======================= Grid point 413 (135/216) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 1.131 -10.294 -1.759) 10.505 3.948 ( 20.245 -2.460 18.725) 27.686 5.108 ( -8.523 0.795 11.957) 14.705 5.497 ( 10.484 -5.068 8.645) 14.503 6.065 ( 15.202 9.596 -13.503) 22.484 6.693 ( -6.701 -3.118 -8.335) 11.139 6.861 ( -1.132 1.073 -4.446) 4.712 7.367 ( -4.293 1.686 -0.389) 4.628 8.133 ( 3.748 2.905 -6.537) 8.076 8.951 ( -13.390 -6.790 -15.858) 21.837 9.418 ( 1.928 -4.128 -25.686) 26.087 10.160 ( 1.619 -3.560 -7.005) 8.023 10.371 ( -8.941 6.114 0.094) 10.832 11.014 ( 9.148 15.149 -9.353) 20.016 11.480 ( -0.164 2.941 2.632) 3.950 12.087 ( -2.030 15.038 -4.408) 15.802 12.304 ( -4.439 -0.484 4.296) 6.196 12.767 ( -8.802 -9.204 2.698) 13.018 13.512 ( 0.435 -9.318 7.910) 12.231 13.730 ( 2.791 3.833 4.085) 6.258 14.058 ( 2.769 4.016 -0.007) 4.878 14.357 ( -4.508 6.521 4.448) 9.090 14.533 ( -3.390 -6.079 -4.872) 8.496 14.810 ( -9.107 4.091 -1.246) 10.061 15.860 ( -0.042 -7.468 18.987) 20.403 16.277 ( 2.675 7.732 6.115) 10.214 16.733 ( -1.312 -19.138 3.647) 19.526 17.443 ( 5.634 16.457 -5.637) 18.286 19.517 ( 3.511 -4.450 31.509) 32.015 21.704 ( 0.367 -10.778 -4.726) 11.774 25.784 ( -5.212 4.350 23.065) 24.044 26.725 ( 0.061 -2.913 9.771) 10.197 27.651 ( 0.139 -11.676 2.089) 11.862 28.984 ( 4.707 0.765 -8.435) 9.690 30.542 ( -0.756 -0.596 9.463) 9.512 32.162 ( 7.399 11.388 -19.682) 23.913 ======================= Grid point 414 (136/216) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -0.502 -16.997 0.969) 17.032 4.186 ( 16.378 -3.743 11.317) 20.256 4.882 ( -17.444 7.783 14.934) 24.246 5.624 ( 12.814 12.063 0.170) 17.600 6.103 ( 23.457 1.398 3.311) 23.731 6.550 ( -16.390 13.670 -2.784) 21.523 6.843 ( -11.111 -15.184 -2.321) 18.958 7.380 ( -2.169 -7.556 -7.824) 11.091 8.185 ( 6.199 0.540 -4.403) 7.623 8.967 ( -7.631 -7.344 -20.698) 23.250 9.479 ( 2.185 -0.592 -25.301) 25.402 10.103 ( -5.933 8.801 -0.993) 10.660 10.360 ( 0.604 -10.201 -11.958) 15.730 10.832 ( 8.245 14.670 -8.795) 18.987 11.323 ( -2.394 17.091 -0.337) 17.261 11.884 ( 8.864 5.674 -0.136) 10.525 12.371 ( -8.626 -9.670 7.193) 14.821 12.877 ( -1.220 -9.563 2.633) 9.993 13.610 ( -1.533 0.363 6.012) 6.215 13.734 ( 2.077 -2.324 6.783) 7.465 13.833 ( -4.840 12.345 8.977) 16.013 14.333 ( 3.507 0.827 -2.711) 4.509 14.544 ( -3.926 3.693 -5.737) 7.872 14.755 ( -6.248 -7.818 -4.260) 10.877 15.990 ( 0.360 -7.260 19.758) 21.053 16.140 ( -0.674 8.224 10.422) 13.293 16.994 ( 6.721 -3.499 -1.923) 7.818 17.250 ( -2.887 2.886 -6.692) 7.839 19.629 ( 2.087 -5.114 34.058) 34.503 21.873 ( 0.318 -8.373 -4.701) 9.607 25.690 ( -2.473 2.508 23.109) 23.376 26.766 ( 0.344 -1.532 10.118) 10.239 27.875 ( 0.313 -14.188 -2.880) 14.480 29.005 ( 3.322 1.214 -8.813) 9.497 30.531 ( -2.259 0.141 9.341) 9.612 32.000 ( 4.632 14.441 -16.042) 22.076 ======================= Grid point 415 (137/216) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( -0.046 -15.554 2.908) 15.823 4.360 ( 8.796 -1.218 2.554) 9.240 4.590 ( -13.638 5.858 13.294) 19.926 5.435 ( 11.164 18.222 5.093) 21.969 6.018 ( -11.498 19.299 9.122) 24.246 6.494 ( 22.976 -3.798 -5.540) 23.938 6.985 ( -18.534 -18.305 12.917) 29.076 7.599 ( -1.328 -20.733 -20.102) 28.908 8.156 ( 1.292 8.162 2.804) 8.727 9.030 ( -0.678 -2.795 -31.809) 31.939 9.483 ( 0.858 1.764 -26.386) 26.459 9.905 ( -4.236 5.655 4.029) 8.134 10.523 ( 0.435 -0.895 -13.545) 13.582 10.720 ( 7.046 5.829 -8.152) 12.251 11.006 ( -3.347 8.788 -0.869) 9.444 11.957 ( 11.619 2.592 -2.781) 12.226 12.449 ( -9.759 -11.661 12.128) 19.450 13.048 ( 3.426 -8.322 3.476) 9.647 13.503 ( 0.331 11.226 10.451) 15.341 13.586 ( -7.038 3.194 6.368) 10.014 13.857 ( 0.939 -3.246 7.231) 7.981 14.306 ( 3.199 6.992 -0.439) 7.701 14.444 ( -2.952 1.443 -9.316) 9.879 14.853 ( -2.581 -7.180 -8.476) 11.405 15.995 ( -0.904 6.342 12.212) 13.791 16.114 ( -0.192 -5.765 21.446) 22.208 16.940 ( 5.413 9.064 -9.801) 14.405 17.350 ( -3.280 -10.879 -2.285) 11.590 19.716 ( 0.833 -3.203 35.415) 35.569 21.987 ( 0.180 -4.728 -4.510) 6.536 25.648 ( -0.874 0.548 23.212) 23.235 26.782 ( 0.242 -0.081 10.398) 10.401 28.121 ( 0.657 -13.761 -7.422) 15.649 29.016 ( 2.028 0.192 -9.138) 9.362 30.496 ( -2.607 1.061 8.672) 9.117 31.773 ( 2.081 15.995 -12.986) 20.708 ======================= Grid point 416 (138/216) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( 0.000 5.479 4.273) 6.949 4.253 ( 0.000 17.510 -7.061) 18.880 4.618 ( -0.000 -12.268 17.706) 21.541 5.333 ( 0.000 0.476 8.248) 8.262 5.655 ( 0.000 11.683 7.198) 13.723 6.608 ( 0.000 3.297 -12.791) 13.210 7.231 ( -0.000 -19.120 25.463) 31.842 7.937 ( 0.000 16.299 9.449) 18.840 7.997 ( -0.000 -24.281 -23.213) 33.592 8.962 ( 0.000 11.068 -38.717) 40.268 9.439 ( 0.000 3.107 -26.674) 26.854 9.937 ( -0.000 -12.359 7.042) 14.224 10.336 ( 0.000 16.403 -8.464) 18.458 10.682 ( 0.000 1.638 -5.395) 5.638 11.137 ( -0.000 -18.240 -5.149) 18.953 11.935 ( 0.000 6.528 -8.446) 10.675 12.608 ( -0.000 -11.627 13.981) 18.184 13.171 ( -0.000 -1.994 3.582) 4.100 13.351 ( 0.000 4.425 13.196) 13.918 13.507 ( 0.000 2.256 5.447) 5.896 13.854 ( 0.000 3.567 4.697) 5.898 14.190 ( 0.000 7.033 0.638) 7.062 14.443 ( -0.000 -1.634 -5.909) 6.131 14.933 ( -0.000 -3.804 -13.260) 13.795 15.913 ( 0.000 2.081 11.613) 11.798 16.191 ( -0.000 -3.299 21.295) 21.549 16.884 ( 0.000 1.026 -9.060) 9.118 17.457 ( -0.000 -3.200 -2.442) 4.025 19.747 ( 0.000 0.172 35.879) 35.880 22.039 ( -0.000 -1.364 -4.777) 4.968 25.652 ( -0.000 -1.488 23.382) 23.429 26.776 ( 0.000 0.847 10.675) 10.709 28.323 ( -0.000 -8.708 -10.559) 13.686 29.052 ( -0.000 -3.482 -10.033) 10.620 30.456 ( 0.000 1.574 7.457) 7.621 31.508 ( 0.000 16.192 -10.287) 19.183 ======================= Grid point 423 (139/216) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 4.397 -0.000 -7.966) 9.099 3.950 ( 23.962 -0.000 23.270) 33.402 5.007 ( 7.748 -0.000 11.547) 13.906 5.415 ( -14.035 0.000 12.914) 19.073 6.137 ( 9.462 -0.000 -21.990) 23.940 6.647 ( 16.626 -0.000 6.808) 17.966 7.175 ( -13.813 0.000 -26.049) 29.485 7.234 ( 18.160 -0.000 -1.299) 18.206 8.258 ( -11.769 0.000 -3.918) 12.404 8.796 ( -15.299 0.000 -12.450) 19.724 9.299 ( 3.681 -0.000 -26.573) 26.827 10.107 ( 0.875 -0.000 -7.763) 7.812 10.518 ( -12.114 0.000 12.068) 17.100 11.229 ( 13.173 -0.000 -11.734) 17.641 11.676 ( 2.827 -0.000 2.927) 4.069 12.007 ( -7.459 0.000 -6.113) 9.644 12.539 ( -14.988 0.000 0.709) 15.005 12.718 ( -6.972 0.000 5.633) 8.963 13.337 ( -2.475 0.000 7.961) 8.337 13.736 ( 8.543 -0.000 -2.459) 8.890 13.992 ( 2.144 -0.000 -2.194) 3.068 14.251 ( -1.745 0.000 -3.051) 3.515 14.824 ( -8.515 0.000 2.076) 8.764 14.926 ( -7.534 0.000 0.667) 7.563 15.750 ( 1.087 -0.000 18.706) 18.738 16.068 ( -1.234 0.000 9.692) 9.770 16.555 ( 3.313 -0.000 3.585) 4.881 17.784 ( 4.522 -0.000 2.304) 5.075 19.462 ( 6.123 -0.000 23.333) 24.123 21.452 ( 0.264 -0.000 -3.227) 3.238 25.889 ( -8.083 0.000 22.709) 24.105 26.640 ( -0.099 0.000 8.871) 8.871 27.442 ( 2.015 -0.000 8.041) 8.289 28.997 ( 5.600 -0.000 -8.481) 10.163 30.533 ( 0.837 -0.000 10.521) 10.555 32.370 ( 6.925 -0.000 -23.204) 24.215 ======================= Grid point 424 (140/216) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 1.762 -2.700 -12.588) 12.994 4.172 ( 24.522 1.332 21.883) 32.893 5.044 ( -8.378 2.987 16.986) 19.174 5.384 ( -1.137 -12.434 20.439) 23.951 6.231 ( 7.876 -1.974 -25.967) 27.207 6.716 ( 2.113 5.278 2.618) 6.259 6.952 ( -4.077 10.520 -21.330) 24.130 7.414 ( 8.991 1.682 0.411) 9.156 8.155 ( -4.115 -0.390 -6.366) 7.591 8.712 ( -12.081 -5.720 -12.870) 18.555 9.367 ( 2.845 -3.703 -28.832) 29.208 10.132 ( 1.758 -1.566 -9.745) 10.026 10.380 ( -7.977 4.355 11.005) 14.272 11.300 ( 7.224 5.938 -10.166) 13.813 11.590 ( 7.606 8.604 0.821) 11.513 12.063 ( -4.984 -7.483 -2.844) 9.430 12.392 ( -10.431 8.032 -0.441) 13.172 12.563 ( -7.867 -0.434 3.685) 8.699 13.377 ( -0.216 -6.217 7.032) 9.389 13.824 ( 4.280 1.977 1.305) 4.892 14.032 ( 2.209 -5.949 -3.073) 7.051 14.329 ( -0.884 -8.949 -3.542) 9.665 14.563 ( -7.483 17.317 4.479) 19.389 14.829 ( -5.892 4.852 0.645) 7.660 15.766 ( 0.630 -3.006 19.893) 20.129 16.278 ( 1.402 -18.715 6.640) 19.907 16.522 ( 0.069 4.903 4.993) 6.998 17.731 ( 3.106 10.161 1.479) 10.728 19.516 ( 4.413 -0.365 24.350) 24.749 21.534 ( 0.246 -8.653 -3.767) 9.441 25.799 ( -4.610 2.868 22.594) 23.238 26.669 ( -0.143 -3.114 8.812) 9.347 27.509 ( 1.268 -5.839 6.321) 8.698 29.040 ( 4.076 0.622 -8.939) 9.844 30.538 ( 0.218 0.145 11.275) 11.278 32.370 ( 4.242 6.207 -21.128) 22.426 ======================= Grid point 425 (141/216) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( -0.261 -8.767 -7.813) 11.746 4.377 ( 22.992 2.362 18.047) 29.324 4.808 ( -20.327 4.906 18.106) 27.660 5.699 ( 7.998 -14.811 19.371) 25.663 6.356 ( 10.892 -0.438 -24.005) 26.365 6.563 ( -2.683 8.331 -4.482) 9.834 6.698 ( -11.667 10.483 -5.489) 16.617 7.372 ( 1.614 6.098 -2.927) 6.954 8.202 ( 1.859 -3.681 -5.981) 7.265 8.752 ( -5.598 -9.035 -15.487) 18.784 9.458 ( 1.569 -3.847 -30.564) 30.845 10.184 ( 0.864 1.563 -2.506) 3.077 10.239 ( -4.132 0.307 -3.518) 5.436 11.150 ( 3.574 14.896 -10.605) 18.632 11.592 ( 10.190 10.041 0.403) 14.312 11.994 ( -10.104 -0.110 2.771) 10.477 12.201 ( -1.805 4.289 4.212) 6.277 12.663 ( -2.219 -13.196 -0.225) 13.383 13.505 ( -0.588 -8.166 5.694) 9.973 13.771 ( 1.143 4.468 4.267) 6.283 14.105 ( 2.385 16.362 6.241) 17.673 14.272 ( -4.056 -5.477 -2.303) 7.194 14.499 ( 0.189 -9.959 -4.956) 11.126 14.666 ( -4.794 7.440 0.585) 8.869 15.865 ( 0.272 -7.328 20.600) 21.866 16.323 ( 1.518 11.714 7.158) 13.811 16.708 ( -0.915 -23.383 2.946) 23.586 17.514 ( 1.744 17.600 -4.142) 18.164 19.573 ( 1.717 -3.147 29.680) 29.896 21.710 ( 0.176 -10.807 -4.409) 11.673 25.716 ( -1.758 3.033 22.654) 22.923 26.726 ( 0.014 -3.266 9.197) 9.759 27.661 ( 0.447 -10.953 2.261) 11.193 29.053 ( 2.020 1.273 -9.114) 9.422 30.529 ( -0.418 0.775 11.224) 11.259 32.252 ( 2.131 11.124 -18.515) 21.705 ======================= Grid point 426 (142/216) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( -0.000 -17.318 -0.153) 17.319 4.488 ( 0.000 3.640 6.585) 7.524 4.568 ( 0.000 4.896 19.935) 20.528 5.803 ( 0.000 12.559 1.803) 12.688 6.285 ( 0.000 17.817 5.891) 18.766 6.503 ( -0.000 -12.076 19.566) 22.992 6.624 ( -0.000 -6.242 -24.246) 25.036 7.348 ( -0.000 -5.773 -12.276) 13.565 8.243 ( 0.000 0.968 -1.926) 2.155 8.893 ( -0.000 -9.933 -21.173) 23.387 9.507 ( -0.000 -0.576 -29.714) 29.720 10.036 ( 0.000 10.132 3.228) 10.633 10.364 ( -0.000 -11.241 -16.139) 19.668 10.928 ( 0.000 12.757 -10.337) 16.419 11.304 ( 0.000 22.905 0.276) 22.906 12.092 ( 0.000 4.433 0.202) 4.438 12.150 ( -0.000 -14.398 11.887) 18.671 12.882 ( -0.000 -12.439 1.128) 12.490 13.581 ( -0.000 -0.023 4.159) 4.159 13.772 ( -0.000 -4.760 7.821) 9.156 13.774 ( 0.000 18.389 10.665) 21.258 14.392 ( -0.000 -4.796 -8.547) 9.801 14.481 ( 0.000 9.598 0.795) 9.631 14.686 ( -0.000 -10.385 -6.223) 12.106 15.997 ( -0.000 -7.617 21.303) 22.624 16.134 ( 0.000 10.219 10.488) 14.643 17.073 ( -0.000 -19.014 -0.183) 19.015 17.208 ( 0.000 17.867 -8.870) 19.947 19.651 ( -0.000 -4.670 33.655) 33.978 21.877 ( -0.000 -8.371 -4.515) 9.511 25.665 ( 0.000 1.992 22.878) 22.965 26.769 ( -0.000 -1.679 9.834) 9.976 27.880 ( -0.000 -14.290 -2.822) 14.566 29.040 ( 0.000 1.304 -9.122) 9.215 30.507 ( 0.000 1.325 10.402) 10.486 32.043 ( 0.000 14.457 -15.819) 21.430 ======================= Grid point 436 (143/216) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 1.325 -0.000 -20.302) 20.345 4.409 ( 20.715 -0.000 21.719) 30.014 5.069 ( -18.213 0.000 26.443) 32.108 5.151 ( 5.159 -0.000 22.720) 23.299 6.250 ( 2.222 -0.000 -27.391) 27.481 6.787 ( 1.294 -0.000 -0.398) 1.354 7.033 ( -2.027 0.000 -25.198) 25.279 7.556 ( 11.090 -0.000 -0.303) 11.095 8.081 ( -5.673 0.000 -5.565) 7.947 8.562 ( -7.184 0.000 -11.970) 13.960 9.361 ( 2.044 -0.000 -30.265) 30.334 10.134 ( 1.147 -0.000 -11.380) 11.437 10.360 ( -4.064 0.000 17.858) 18.315 11.373 ( 2.191 -0.000 -6.079) 6.462 11.831 ( 9.508 -0.000 -4.772) 10.638 11.915 ( -1.865 0.000 -2.502) 3.121 12.295 ( -8.025 0.000 -2.201) 8.322 12.548 ( -8.126 0.000 2.053) 8.381 13.314 ( -0.329 0.000 7.657) 7.665 13.854 ( 3.195 -0.000 -1.967) 3.752 14.027 ( 1.061 -0.000 -0.865) 1.369 14.217 ( -1.035 0.000 -2.955) 3.131 14.701 ( -3.577 0.000 2.745) 4.509 14.818 ( -3.079 0.000 0.679) 3.153 15.772 ( 0.769 -0.000 20.357) 20.371 16.052 ( -0.422 0.000 9.558) 9.567 16.599 ( 1.178 -0.000 4.056) 4.224 17.832 ( 0.989 -0.000 6.673) 6.746 19.559 ( 2.966 -0.000 19.140) 19.368 21.455 ( 0.092 -0.000 -3.156) 3.157 25.789 ( -2.508 0.000 22.323) 22.464 26.638 ( -0.071 0.000 8.436) 8.436 27.472 ( 0.885 -0.000 7.780) 7.830 29.077 ( 2.267 -0.000 -9.277) 9.550 30.543 ( 0.246 -0.000 12.144) 12.146 32.452 ( 1.896 -0.000 -21.102) 21.187 ======================= Grid point 437 (144/216) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -0.000 -1.582 -17.683) 17.754 4.568 ( -0.000 -3.459 20.082) 20.378 4.773 ( 0.000 13.076 23.903) 27.246 5.417 ( -0.000 -19.412 26.603) 32.933 6.298 ( -0.000 -4.643 -29.915) 30.273 6.744 ( 0.000 5.616 0.496) 5.638 6.882 ( 0.000 15.282 -20.278) 25.392 7.531 ( 0.000 8.493 -1.439) 8.614 8.114 ( -0.000 -6.013 -6.175) 8.619 8.586 ( -0.000 -6.531 -13.001) 14.549 9.400 ( -0.000 -3.272 -31.454) 31.623 10.155 ( -0.000 -1.920 -12.196) 12.346 10.298 ( 0.000 4.768 15.184) 15.915 11.353 ( 0.000 5.709 -7.112) 9.120 11.825 ( 0.000 1.017 -1.296) 1.647 11.858 ( 0.000 6.396 -2.223) 6.771 12.382 ( 0.000 11.891 3.196) 12.313 12.407 ( -0.000 -13.894 -2.752) 14.164 13.374 ( -0.000 -6.398 6.574) 9.173 13.868 ( 0.000 4.225 1.065) 4.358 14.054 ( -0.000 -8.381 -2.457) 8.734 14.322 ( -0.000 -9.888 -3.805) 10.594 14.483 ( 0.000 19.396 5.136) 20.064 14.769 ( 0.000 5.284 0.884) 5.357 15.774 ( -0.000 -2.683 20.470) 20.645 16.293 ( -0.000 -22.717 6.960) 23.759 16.522 ( 0.000 9.138 5.064) 10.448 17.759 ( 0.000 9.445 3.243) 9.987 19.563 ( 0.000 0.503 22.571) 22.577 21.537 ( -0.000 -8.718 -3.679) 9.462 25.755 ( 0.000 2.349 22.350) 22.473 26.667 ( -0.000 -3.133 8.541) 9.097 27.523 ( -0.000 -5.520 6.281) 8.361 29.082 ( 0.000 0.784 -9.321) 9.354 30.540 ( 0.000 0.513 12.126) 12.137 32.409 ( 0.000 6.053 -20.160) 21.049 ======================= Grid point 500 (145/216) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( 0.000 0.000 30.793) 30.793 3.817 ( 0.000 0.000 41.227) 41.227 4.192 ( 0.000 0.000 -34.625) 34.625 4.580 ( 0.000 0.000 -32.546) 32.546 5.074 ( 0.000 0.000 18.922) 18.922 5.434 ( 0.000 0.000 -25.548) 25.548 6.394 ( 0.000 0.000 2.078) 2.078 7.554 ( 0.000 0.000 -34.911) 34.911 9.000 ( 0.000 0.000 -2.356) 2.356 9.020 ( 0.000 0.000 6.553) 6.553 9.106 ( 0.000 0.000 -7.106) 7.106 10.238 ( 0.000 0.000 -17.024) 17.024 11.944 ( 0.000 0.000 19.126) 19.126 11.951 ( 0.000 0.000 18.035) 18.035 11.954 ( 0.000 0.000 5.760) 5.760 12.198 ( 0.000 0.000 7.618) 7.618 12.445 ( 0.000 0.000 11.576) 11.576 13.156 ( 0.000 0.000 -5.367) 5.367 13.347 ( 0.000 0.000 -18.454) 18.454 13.504 ( 0.000 0.000 -15.900) 15.900 13.702 ( 0.000 0.000 6.110) 6.110 14.107 ( 0.000 0.000 -10.407) 10.407 15.284 ( 0.000 0.000 0.184) 0.184 15.315 ( 0.000 0.000 -0.832) 0.832 16.157 ( 0.000 0.000 7.017) 7.017 16.298 ( 0.000 0.000 9.054) 9.054 16.461 ( 0.000 0.000 3.514) 3.514 16.590 ( 0.000 0.000 -2.152) 2.152 20.176 ( 0.000 0.000 24.695) 24.695 21.302 ( 0.000 0.000 -10.187) 10.187 26.775 ( 0.000 0.000 6.881) 6.881 27.062 ( 0.000 0.000 -3.912) 3.912 27.705 ( 0.000 0.000 20.038) 20.038 29.026 ( 0.000 0.000 -20.183) 20.183 30.432 ( 0.000 0.000 0.032) 0.032 30.445 ( 0.000 0.000 -0.383) 0.383 ======================= Grid point 501 (146/216) ======================= q-point: ( 0.09 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( 0.990 -5.940 27.551) 28.202 3.800 ( -4.456 -2.228 31.388) 31.781 4.119 ( 9.330 10.033 -21.533) 25.522 4.739 ( -2.385 -14.133 -30.521) 33.719 5.250 ( 14.304 -12.790 14.131) 23.830 5.545 ( 2.356 -10.932 -25.105) 27.483 6.431 ( 2.605 -2.916 3.708) 5.389 7.582 ( -0.684 -4.127 -27.805) 28.117 8.871 ( -2.717 11.574 -0.195) 11.890 9.002 ( -1.173 1.237 2.652) 3.152 9.119 ( -0.608 0.095 -8.672) 8.694 10.257 ( -1.728 -2.664 -19.353) 19.612 11.425 ( -20.658 21.245 17.334) 34.330 11.764 ( 4.019 23.044 16.231) 28.472 12.013 ( -10.051 1.248 5.370) 11.464 12.395 ( 12.397 -7.074 7.470) 16.110 12.577 ( -5.677 -10.078 9.800) 15.160 13.061 ( -8.111 7.353 -10.861) 15.421 13.243 ( 9.289 4.171 -9.330) 13.811 13.599 ( -6.087 -5.004 -7.093) 10.602 13.812 ( 12.236 -6.631 -2.789) 14.194 14.060 ( -2.244 3.273 -6.779) 7.854 15.163 ( -0.091 13.826 1.650) 13.924 15.233 ( -1.873 7.104 -1.602) 7.519 16.172 ( -2.058 -3.120 8.303) 9.106 16.321 ( -0.416 -2.329 9.671) 9.956 16.557 ( 0.486 -11.902 2.133) 12.101 16.679 ( 7.025 -3.135 -3.518) 8.459 20.157 ( -2.047 0.315 26.930) 27.009 21.364 ( -0.024 -6.783 -11.557) 13.401 26.703 ( -0.577 8.547 8.313) 11.937 26.989 ( -2.753 3.751 2.363) 5.219 27.802 ( -1.808 -9.973 13.229) 16.665 28.981 ( -10.594 -1.410 -17.762) 20.730 30.451 ( 4.226 -0.921 0.524) 4.357 30.558 ( 15.032 -2.399 -3.667) 15.657 ======================= Grid point 502 (147/216) ======================= q-point: ( 0.18 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( 1.891 -7.175 20.502) 21.803 3.873 ( 0.529 -9.329 23.402) 25.198 4.089 ( 11.033 4.397 -6.306) 13.447 4.930 ( -3.155 -11.542 -23.844) 26.678 5.677 ( 19.158 -10.860 -5.278) 22.646 5.824 ( 3.137 -19.926 -21.957) 29.816 6.567 ( 5.159 -10.833 13.670) 18.189 7.694 ( -1.305 -10.053 -11.912) 15.641 8.574 ( -5.899 18.437 3.320) 19.640 8.974 ( -0.965 0.383 -6.046) 6.134 9.069 ( -0.031 5.598 -11.070) 12.405 10.262 ( -2.032 1.076 -22.374) 22.492 10.902 ( -19.270 15.490 16.735) 29.855 11.361 ( -9.974 19.469 9.424) 23.819 11.843 ( 7.087 18.218 5.065) 20.193 12.376 ( -8.168 14.232 -1.054) 16.444 12.562 ( -16.504 -6.966 3.390) 18.231 13.045 ( 1.425 -8.910 -7.980) 12.046 13.334 ( 13.916 0.302 -1.181) 13.970 13.612 ( -2.836 -3.126 1.212) 4.392 13.973 ( -0.835 2.457 -0.081) 2.596 14.073 ( 12.343 -6.038 -7.598) 15.702 14.879 ( 0.409 17.969 5.020) 18.661 15.070 ( -2.654 8.601 -3.238) 9.565 16.202 ( -1.482 -1.732 9.153) 9.433 16.396 ( -0.912 -7.162 10.479) 12.725 16.698 ( 0.447 -0.459 -1.204) 1.364 16.872 ( 5.505 -13.791 -3.135) 15.177 20.156 ( -1.654 -2.822 30.615) 30.790 21.505 ( 0.071 -9.204 -13.636) 16.452 26.510 ( -2.051 10.921 14.094) 17.948 26.934 ( -1.375 0.746 5.054) 5.291 27.945 ( -4.219 -9.674 6.124) 12.202 28.893 ( -11.927 -1.583 -14.310) 18.696 30.534 ( 5.302 -2.993 1.207) 6.207 30.768 ( 19.910 -1.092 -7.774) 21.402 ======================= Grid point 503 (148/216) ======================= q-point: ( 0.27 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 3.933 -8.747 19.179) 21.444 4.078 ( 6.644 -9.459 11.405) 16.238 4.225 ( 10.695 -8.268 6.431) 14.970 5.059 ( -2.399 -6.345 -18.347) 19.561 5.873 ( 5.543 -1.210 -10.952) 12.334 6.217 ( 7.834 -16.023 -26.604) 32.029 6.955 ( 8.915 -25.237 25.026) 36.643 7.833 ( -6.350 -4.743 1.588) 8.084 8.190 ( -5.446 14.175 5.233) 16.062 8.927 ( 1.157 11.573 -15.094) 19.055 8.980 ( 0.948 -0.885 -12.433) 12.500 10.157 ( 0.402 9.426 -12.821) 15.919 10.583 ( -13.423 3.998 3.627) 14.468 10.949 ( -14.078 14.491 1.980) 20.300 11.544 ( 3.520 21.394 2.077) 21.781 11.947 ( -12.894 20.661 -8.034) 25.645 12.578 ( -11.008 -10.779 7.184) 17.000 13.209 ( -1.908 -8.356 -8.085) 11.782 13.462 ( 13.643 1.313 3.679) 14.191 13.663 ( 1.765 -3.544 3.655) 5.388 13.925 ( -1.172 1.623 2.645) 3.318 14.248 ( 11.170 0.776 -6.510) 12.952 14.615 ( 0.566 12.708 6.488) 14.280 14.924 ( -0.916 5.530 -4.141) 6.969 16.193 ( -0.144 1.620 8.227) 8.386 16.511 ( -4.765 -7.546 7.252) 11.499 16.654 ( -0.204 3.234 4.095) 5.222 17.159 ( 4.020 -13.451 -4.566) 14.763 20.221 ( -0.221 -5.537 32.709) 33.175 21.658 ( 0.333 -8.182 -14.491) 16.645 26.331 ( -1.878 7.620 18.982) 20.540 26.924 ( -0.239 -0.280 5.091) 5.104 28.042 ( -5.320 -7.387 1.685) 9.258 28.810 ( -8.598 -0.467 -12.502) 15.180 30.644 ( 4.934 -3.790 1.853) 6.492 30.953 ( 16.922 0.638 -9.002) 19.178 ======================= Grid point 504 (149/216) ======================= q-point: ( 0.36 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( 3.674 -9.146 18.056) 20.571 4.340 ( 13.917 -9.394 4.268) 17.325 4.498 ( 5.032 -12.378 9.415) 16.345 5.094 ( -0.584 -0.364 -12.143) 12.162 5.904 ( -3.475 -2.683 0.862) 4.474 6.451 ( 6.193 -0.845 -19.149) 20.143 7.411 ( 0.506 -10.304 15.472) 18.596 7.663 ( -6.169 -5.511 0.522) 8.289 8.178 ( -0.565 -6.912 6.680) 9.629 8.695 ( 2.425 17.636 -15.466) 23.582 9.024 ( 2.110 -2.176 -15.470) 15.764 10.029 ( 5.023 7.371 -4.212) 9.865 10.427 ( -8.573 3.214 -2.467) 9.482 10.632 ( -9.831 8.730 -4.130) 13.781 11.254 ( -4.577 10.967 -2.798) 12.209 11.491 ( -9.612 18.723 -10.002) 23.302 12.709 ( -3.239 -12.531 8.161) 15.301 13.256 ( -4.799 -0.717 -4.165) 6.395 13.539 ( 9.868 2.964 5.339) 11.604 13.744 ( 2.264 -2.108 4.130) 5.159 13.913 ( -0.438 -2.627 0.314) 2.681 14.250 ( 7.373 8.073 -2.040) 11.121 14.464 ( -1.340 5.671 3.660) 6.881 14.884 ( 2.616 0.798 -5.231) 5.903 16.159 ( 2.122 3.075 6.115) 7.166 16.472 ( -10.391 0.683 -0.996) 10.461 16.686 ( 2.496 -3.391 16.222) 16.760 17.383 ( 2.425 -9.009 -5.752) 10.960 20.318 ( 0.503 -5.101 33.327) 33.719 21.778 ( 0.405 -5.357 -14.306) 15.282 26.219 ( -1.117 4.024 21.835) 22.230 26.932 ( 0.243 -0.550 5.121) 5.156 28.098 ( -4.403 -4.974 -1.454) 6.800 28.743 ( -4.719 0.673 -11.812) 12.737 30.746 ( 3.359 -3.191 2.172) 5.117 31.071 ( 10.922 1.345 -8.328) 13.800 ======================= Grid point 505 (150/216) ======================= q-point: ( 0.45 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.992 ( 1.620 -4.644 12.973) 13.874 4.580 ( 8.761 -2.695 2.607) 9.530 4.683 ( -0.830 -6.357 10.152) 12.007 5.117 ( 3.261 -1.233 -9.598) 10.211 5.913 ( -8.904 -5.369 14.980) 18.235 6.352 ( 4.928 12.648 -2.123) 13.739 7.404 ( -3.785 -3.015 -11.891) 12.839 7.983 ( 0.078 -19.829 -4.164) 20.261 8.257 ( -0.420 -2.463 5.485) 6.027 8.397 ( 2.399 18.793 -9.283) 21.097 9.078 ( 1.129 -1.588 -13.123) 13.267 10.001 ( 4.141 2.250 -3.465) 5.849 10.335 ( -2.967 -0.049 0.754) 3.061 10.450 ( -3.640 5.105 -6.015) 8.689 11.097 ( -6.856 1.081 -7.324) 10.090 11.189 ( -0.688 9.189 -10.497) 13.968 12.922 ( 2.008 -12.505 5.954) 13.995 13.142 ( -4.605 8.169 1.095) 9.442 13.561 ( 3.680 1.840 6.034) 7.304 13.764 ( -0.330 -0.311 5.365) 5.384 14.017 ( 1.687 -7.341 -2.914) 8.077 14.156 ( 1.890 8.215 -4.293) 9.460 14.384 ( -0.948 2.019 6.068) 6.465 14.908 ( 1.717 -0.165 -6.760) 6.977 16.139 ( 2.073 1.686 3.549) 4.443 16.377 ( -5.317 0.354 1.860) 5.644 16.748 ( 0.741 -1.587 17.173) 17.262 17.502 ( 0.803 -3.134 -6.305) 7.087 20.385 ( 0.290 -2.016 33.374) 33.436 21.842 ( 0.176 -1.833 -13.923) 14.045 26.168 ( -0.356 1.212 23.164) 23.199 26.942 ( 0.159 -0.261 5.272) 5.281 28.127 ( -1.711 -1.867 -3.330) 4.184 28.701 ( -1.451 0.533 -11.534) 11.637 30.807 ( 1.161 -1.270 2.219) 2.808 31.124 ( 3.768 0.670 -7.481) 8.403 ======================= Grid point 512 (151/216) ======================= q-point: ( 0.09 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 0.919 -0.000 26.128) 26.144 3.723 ( -4.870 0.000 23.960) 24.450 4.403 ( 16.782 -0.000 -21.054) 26.924 4.551 ( -1.371 0.000 -28.166) 28.199 5.301 ( 21.796 -0.000 19.080) 28.967 5.508 ( 7.377 -0.000 -21.091) 22.344 6.446 ( 5.440 -0.000 1.487) 5.640 7.536 ( -2.175 0.000 -31.672) 31.746 8.934 ( -6.098 0.000 1.323) 6.240 9.013 ( -1.327 0.000 2.243) 2.606 9.081 ( -2.804 0.000 -8.476) 8.927 10.203 ( -3.377 0.000 -16.675) 17.014 11.450 ( -26.610 0.000 15.768) 30.931 11.717 ( -18.944 0.000 5.848) 19.826 12.118 ( -2.393 0.000 19.016) 19.166 12.269 ( 1.982 -0.000 2.922) 3.531 12.634 ( 15.513 -0.000 7.185) 17.096 13.063 ( -7.057 0.000 -6.684) 9.720 13.289 ( -2.684 0.000 -9.889) 10.247 13.567 ( 4.599 -0.000 -9.530) 10.582 13.847 ( 11.409 -0.000 -0.186) 11.411 14.049 ( -5.617 0.000 -7.630) 9.475 15.271 ( -1.594 0.000 -0.398) 1.643 15.280 ( -3.618 0.000 -0.591) 3.666 16.102 ( -3.914 0.000 9.183) 9.982 16.371 ( 5.767 -0.000 8.294) 10.102 16.378 ( -4.470 0.000 4.592) 6.408 16.783 ( 15.228 -0.000 -5.422) 16.164 20.128 ( -4.412 0.000 26.636) 26.999 21.302 ( 0.015 -0.000 -10.402) 10.402 26.780 ( 0.348 -0.000 6.557) 6.566 26.969 ( -9.378 0.000 0.035) 9.378 27.686 ( -1.689 0.000 19.125) 19.200 28.846 ( -12.537 0.000 -13.479) 18.408 30.475 ( 4.165 -0.000 1.939) 4.595 30.761 ( 26.326 -0.000 -10.384) 28.299 ======================= Grid point 513 (152/216) ======================= q-point: ( 0.18 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( -0.395 -6.155 22.159) 23.001 3.734 ( -0.741 -4.646 16.831) 17.476 4.383 ( 16.026 10.048 -12.554) 22.702 4.739 ( 3.899 -10.660 -24.016) 26.563 5.623 ( 8.729 -7.215 -13.134) 17.342 5.703 ( 26.885 -12.902 7.988) 30.872 6.527 ( 7.006 -2.153 2.711) 7.814 7.545 ( -3.711 -4.926 -21.359) 22.232 8.764 ( -8.459 11.530 0.900) 14.329 8.960 ( -3.040 0.842 -1.620) 3.546 9.089 ( -2.837 -1.562 -9.345) 9.890 10.191 ( -4.968 -2.844 -17.965) 18.855 11.020 ( -18.666 17.243 14.207) 29.113 11.473 ( -21.779 9.580 5.690) 24.464 12.028 ( -1.142 1.425 12.660) 12.791 12.339 ( -10.703 -3.217 0.993) 11.220 12.623 ( 4.974 15.967 1.385) 16.781 12.949 ( -3.383 0.370 -8.791) 9.426 13.370 ( 4.093 -7.081 -1.999) 8.420 13.613 ( 6.497 -0.030 -1.700) 6.716 13.956 ( -3.934 -0.593 -0.736) 4.046 14.062 ( 8.615 -7.045 -6.323) 12.800 15.125 ( -4.900 12.006 1.321) 13.035 15.182 ( -2.778 7.227 -1.355) 7.861 16.113 ( -3.154 -4.857 10.795) 12.251 16.321 ( 0.583 -0.699 8.262) 8.312 16.582 ( 1.783 -13.201 3.563) 13.789 16.901 ( 14.636 4.084 -7.082) 16.764 20.093 ( -3.851 -1.521 29.492) 29.781 21.364 ( 0.075 -6.795 -11.682) 13.514 26.662 ( -4.553 10.308 9.647) 14.834 26.901 ( -5.169 -1.916 4.312) 6.999 27.745 ( -3.414 -7.935 14.080) 16.519 28.757 ( -8.633 -1.597 -11.455) 14.432 30.537 ( 5.200 -1.799 3.697) 6.629 31.012 ( 26.132 1.476 -14.965) 30.150 ======================= Grid point 514 (153/216) ======================= q-point: ( 0.27 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( -0.062 -10.377 21.189) 23.594 3.858 ( 0.664 -9.825 11.318) 15.002 4.452 ( 23.469 4.537 -2.759) 24.062 4.943 ( 4.525 -8.442 -20.306) 22.451 5.795 ( 1.690 -7.422 -11.931) 14.153 6.183 ( 22.556 -7.891 -14.214) 27.804 6.709 ( 9.928 -13.983 18.245) 25.040 7.635 ( -5.341 -9.824 -5.092) 12.287 8.407 ( -10.938 18.203 4.280) 21.664 8.943 ( -2.788 -1.738 -10.465) 10.968 9.056 ( -1.318 2.857 -11.806) 12.218 10.181 ( -6.800 -2.124 -17.974) 19.334 10.616 ( -8.526 13.338 9.915) 18.679 11.058 ( -17.060 15.133 3.475) 23.068 11.868 ( -9.451 13.429 3.453) 16.780 12.200 ( -7.174 19.473 -6.902) 21.870 12.349 ( -3.486 -1.495 6.571) 7.587 13.019 ( -3.409 -8.892 -8.981) 13.090 13.539 ( 5.923 -6.544 3.210) 9.392 13.684 ( 9.063 1.514 2.551) 9.537 13.930 ( -2.158 -0.598 3.962) 4.551 14.281 ( 7.634 -6.980 -7.984) 13.067 14.839 ( -5.254 14.309 5.078) 16.067 15.015 ( -2.989 7.886 -2.129) 8.698 16.176 ( -1.049 -4.118 10.466) 11.296 16.366 ( -0.968 -3.765 8.272) 9.140 16.758 ( 3.986 0.034 1.138) 4.146 16.984 ( 6.611 -6.018 -5.653) 10.577 20.124 ( -1.162 -5.034 32.112) 32.525 21.509 ( 0.397 -9.403 -13.367) 16.348 26.440 ( -5.261 8.935 16.059) 19.115 26.902 ( -1.722 -1.660 4.397) 5.005 27.848 ( -4.851 -8.640 8.437) 13.014 28.724 ( -4.413 -1.548 -11.228) 12.163 30.626 ( 4.608 -2.816 5.039) 7.387 31.197 ( 21.440 4.219 -15.676) 26.893 ======================= Grid point 515 (154/216) ======================= q-point: ( 0.36 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.704 ( 1.869 -11.382 21.650) 24.531 4.079 ( 0.335 -15.608 9.377) 18.211 4.657 ( 26.305 1.076 -1.437) 26.366 5.090 ( 5.153 -2.881 -14.404) 15.567 5.851 ( -4.041 0.339 -0.920) 4.159 6.420 ( 8.429 -7.543 -26.936) 29.214 7.173 ( 13.084 -21.590 20.912) 32.782 7.639 ( -13.185 5.005 4.168) 14.706 8.080 ( -5.461 3.126 6.484) 9.035 8.898 ( -4.611 5.502 -15.649) 17.217 9.017 ( 2.156 0.273 -15.160) 15.315 10.142 ( -3.219 -0.305 -11.636) 12.077 10.408 ( -2.873 6.305 0.579) 6.953 10.674 ( -12.931 12.029 0.542) 17.669 11.505 ( -6.338 18.026 -1.868) 19.199 11.728 ( -8.277 21.838 -8.624) 24.896 12.480 ( 0.175 -11.539 8.363) 14.252 13.119 ( -6.065 -7.554 -6.790) 11.830 13.683 ( 7.904 -0.834 4.631) 9.198 13.738 ( 4.872 -0.987 4.691) 6.835 13.911 ( 0.575 2.067 3.522) 4.124 14.390 ( 2.849 1.588 -8.724) 9.314 14.581 ( -4.028 9.895 7.868) 13.268 14.901 ( -2.015 1.823 -2.239) 3.521 16.221 ( 2.374 -0.738 7.432) 7.837 16.388 ( -4.559 -0.596 5.062) 6.838 16.717 ( 4.527 5.173 6.415) 9.402 17.205 ( 0.688 -12.959 -5.164) 13.967 20.226 ( 0.849 -6.452 33.203) 33.834 21.668 ( 0.729 -8.205 -14.008) 16.251 26.275 ( -3.777 5.303 20.091) 21.120 26.918 ( -0.400 -1.355 4.223) 4.453 27.942 ( -4.159 -7.779 3.926) 9.656 28.713 ( -1.433 -0.351 -11.569) 11.663 30.711 ( 2.424 -2.910 5.615) 6.773 31.284 ( 15.568 6.583 -13.923) 21.899 ======================= Grid point 516 (155/216) ======================= q-point: ( 0.45 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( 2.824 -8.612 17.905) 20.069 4.356 ( -2.235 -15.943 8.704) 18.301 4.853 ( 19.722 4.579 -1.211) 20.283 5.153 ( 5.073 0.614 -9.242) 10.560 5.773 ( -4.976 -0.445 10.397) 11.535 6.565 ( 2.085 2.854 -14.476) 14.901 7.314 ( -7.971 1.798 -1.695) 8.345 7.664 ( 4.492 -18.247 8.706) 20.710 8.126 ( -4.600 -7.924 6.309) 11.124 8.689 ( -3.541 13.716 -16.273) 21.575 9.047 ( 0.133 -1.583 -15.978) 16.057 10.146 ( 3.299 1.660 -9.582) 10.269 10.293 ( -0.974 4.788 3.363) 5.932 10.437 ( -10.231 1.769 -6.330) 12.160 11.156 ( -5.721 14.974 -2.917) 16.293 11.405 ( 2.735 12.173 -9.779) 15.852 12.709 ( 2.204 -13.666 6.858) 15.448 13.143 ( -5.778 -2.013 -2.155) 6.487 13.681 ( 2.716 6.612 7.720) 10.521 13.791 ( 4.113 0.713 4.080) 5.837 13.934 ( 1.908 -3.993 0.312) 4.436 14.293 ( -2.667 7.533 -5.821) 9.886 14.430 ( -2.071 5.385 6.237) 8.496 14.895 ( -1.946 -1.649 -4.585) 5.247 16.233 ( 2.222 4.793 3.303) 6.231 16.327 ( -0.991 -0.443 3.673) 3.830 16.720 ( 0.997 -1.289 13.634) 13.731 17.394 ( -1.227 -9.252 -5.959) 11.073 20.336 ( 1.345 -4.707 33.395) 33.752 21.789 ( 0.716 -5.024 -13.887) 14.785 26.184 ( -2.395 2.157 22.326) 22.558 26.935 ( 0.056 -0.815 4.476) 4.550 28.034 ( -1.814 -6.493 -0.024) 6.742 28.707 ( 0.705 0.547 -11.767) 11.800 30.764 ( -0.834 -2.237 5.396) 5.901 31.281 ( 9.732 7.967 -11.451) 17.009 ======================= Grid point 517 (156/216) ======================= q-point: ( 0.55 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( 0.551 -1.443 12.118) 12.216 4.475 ( -8.087 -1.880 7.349) 11.088 4.883 ( 9.094 6.886 3.850) 12.039 5.132 ( -1.387 3.378 -4.717) 5.965 5.913 ( 9.698 -13.678 11.602) 20.390 6.329 ( -7.134 15.721 3.343) 17.585 7.411 ( 4.068 -8.745 -16.161) 18.821 7.977 ( -0.905 -16.897 -2.077) 17.048 8.186 ( -6.363 -5.253 6.802) 10.693 8.384 ( -3.503 17.505 -12.347) 21.706 9.058 ( -2.645 -0.835 -14.438) 14.702 10.069 ( 1.387 8.734 -6.454) 10.948 10.257 ( -5.132 -3.393 2.043) 6.482 10.431 ( 3.016 -3.500 -6.921) 8.322 10.994 ( -1.798 -3.020 -4.420) 5.647 11.328 ( 12.245 7.270 -11.048) 18.023 12.940 ( -1.749 -9.482 4.826) 10.782 13.101 ( 1.611 1.239 2.256) 3.036 13.569 ( -1.691 5.588 7.874) 9.802 13.810 ( 4.083 2.130 4.144) 6.195 14.010 ( -3.700 -4.393 2.039) 6.095 14.137 ( -1.817 7.577 -5.729) 9.671 14.363 ( -1.300 -0.211 3.576) 3.811 14.880 ( -4.563 0.001 -7.777) 9.016 16.143 ( -1.015 3.561 5.508) 6.637 16.404 ( 6.912 -2.979 2.391) 7.898 16.743 ( -1.109 -0.911 15.206) 15.274 17.484 ( -2.564 -3.350 -6.345) 7.620 20.397 ( 0.886 -1.007 33.321) 33.348 21.848 ( 0.415 -1.296 -13.762) 13.829 26.150 ( -1.361 -0.276 23.253) 23.294 26.943 ( -0.046 -0.062 4.859) 4.860 28.122 ( 1.095 -3.976 -2.918) 5.052 28.717 ( 2.736 -0.070 -11.783) 12.097 30.767 ( -4.403 -1.022 4.594) 6.445 31.209 ( 4.211 8.436 -9.270) 13.223 ======================= Grid point 518 (157/216) ======================= q-point: (-0.36 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( -3.763 7.201 11.448) 14.039 4.291 ( -13.721 8.105 11.426) 19.609 4.777 ( 2.680 12.972 2.254) 13.437 5.121 ( 5.892 -0.246 -4.885) 7.657 6.005 ( -8.504 10.684 1.485) 13.736 6.308 ( 8.246 -15.289 2.834) 17.600 7.532 ( 8.362 1.697 -7.262) 11.204 7.953 ( -3.742 20.441 2.358) 20.914 8.216 ( -4.761 -1.127 5.793) 7.583 8.313 ( -4.191 -21.130 -14.735) 26.099 9.025 ( -3.416 0.878 -14.265) 14.694 9.946 ( -1.652 3.496 -6.799) 7.822 10.349 ( -1.005 -10.967 1.316) 11.092 10.550 ( 5.806 -6.558 -3.898) 9.587 11.212 ( 7.558 -14.790 -7.389) 18.179 11.356 ( 10.931 1.917 -10.957) 15.596 12.911 ( 1.208 6.192 7.421) 9.740 13.209 ( 0.664 -6.125 -0.543) 6.184 13.481 ( -2.174 2.617 7.497) 8.233 13.777 ( -1.140 3.792 3.819) 5.501 13.990 ( -0.825 3.404 -1.016) 3.647 14.051 ( -6.345 -3.262 3.170) 7.807 14.403 ( 0.581 -3.485 -1.357) 3.784 14.823 ( -6.333 -0.657 -9.102) 11.108 16.119 ( 0.725 -0.780 8.899) 8.962 16.534 ( 8.503 -2.937 2.093) 9.236 16.721 ( -1.360 2.007 13.320) 13.539 17.455 ( -3.763 3.120 -6.159) 7.863 20.385 ( 0.257 2.898 33.266) 33.393 21.841 ( 0.062 2.332 -14.062) 14.254 26.165 ( -0.556 -2.557 22.939) 23.088 26.938 ( -0.267 0.449 5.056) 5.083 28.179 ( 3.153 -0.064 -3.741) 4.893 28.771 ( 5.279 -1.874 -12.357) 13.567 30.714 ( -7.426 0.421 3.558) 8.245 31.083 ( -0.763 8.328 -7.671) 11.348 ======================= Grid point 519 (158/216) ======================= q-point: (-0.27 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( -6.893 9.199 10.441) 15.529 4.037 ( -9.999 6.526 20.349) 23.594 4.516 ( 1.364 19.066 2.733) 19.309 5.198 ( 10.097 2.506 -11.789) 15.723 5.783 ( -14.340 2.220 -10.279) 17.783 6.444 ( 4.126 8.320 -15.448) 18.025 7.350 ( -3.894 26.938 24.126) 36.371 7.826 ( 8.616 -9.845 -2.785) 13.376 8.145 ( -3.788 4.353 6.583) 8.754 8.637 ( -2.536 -19.485 -16.129) 25.421 8.981 ( -1.859 0.786 -14.927) 15.062 9.969 ( -1.505 -8.275 -8.212) 11.755 10.563 ( 4.926 -11.205 2.426) 12.478 10.817 ( 8.450 -16.759 -3.664) 19.123 11.322 ( 1.800 0.907 -3.207) 3.788 11.696 ( 10.069 -22.657 -8.928) 26.352 12.849 ( 10.382 7.244 7.193) 14.561 13.233 ( -7.522 -1.453 -2.950) 8.209 13.404 ( -3.656 5.425 3.362) 7.355 13.700 ( -1.558 1.745 6.850) 7.239 13.940 ( 1.166 2.347 -3.280) 4.198 14.075 ( -7.661 -5.616 3.737) 10.208 14.457 ( -2.209 -4.535 -0.091) 5.045 14.824 ( -2.637 -5.371 -8.208) 10.158 16.166 ( 2.047 -2.463 10.579) 11.053 16.605 ( -1.778 2.263 16.197) 16.450 16.699 ( 8.291 0.990 -3.533) 9.067 17.308 ( -4.743 9.216 -5.301) 11.642 20.314 ( 0.040 5.227 33.082) 33.492 21.773 ( -0.119 5.602 -14.632) 15.668 26.229 ( 0.097 -5.373 21.325) 21.991 26.927 ( -0.230 0.335 5.135) 5.152 28.180 ( 3.442 3.683 -2.257) 5.523 28.877 ( 7.869 -2.691 -14.275) 16.521 30.615 ( -9.052 1.557 2.715) 9.577 30.917 ( -4.317 8.149 -6.350) 11.197 ======================= Grid point 520 (159/216) ======================= q-point: (-0.18 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( -4.088 5.577 9.201) 11.509 3.888 ( -5.191 2.680 31.114) 31.657 4.209 ( 1.008 16.930 -0.893) 16.984 5.176 ( 8.004 10.808 -19.879) 24.001 5.631 ( -13.373 1.774 -14.300) 19.659 6.186 ( 1.183 21.724 -25.835) 33.775 6.832 ( -3.520 25.371 26.408) 36.789 7.900 ( 1.276 11.824 -1.018) 11.936 8.271 ( 2.408 -21.361 3.931) 21.852 8.901 ( -0.820 -13.353 -13.466) 18.982 8.969 ( -0.366 -0.514 -11.281) 11.299 10.151 ( -0.113 -11.617 -16.305) 20.021 10.844 ( 10.592 -14.382 9.240) 20.110 11.166 ( 7.308 -7.941 5.416) 12.075 11.401 ( -8.590 -20.984 0.482) 22.679 12.171 ( 8.139 -21.114 -5.518) 23.291 12.855 ( 14.266 7.319 5.388) 16.915 13.149 ( -5.753 4.909 -6.171) 9.761 13.216 ( -10.753 4.988 1.832) 11.995 13.702 ( 4.974 0.571 6.472) 8.182 13.925 ( -2.746 -0.127 -6.300) 6.874 14.031 ( -7.264 1.373 -2.215) 7.718 14.586 ( -1.428 -13.760 6.153) 15.140 14.940 ( 0.517 -8.626 -6.703) 10.936 16.219 ( 1.578 -1.087 10.696) 10.866 16.500 ( -2.233 5.775 14.962) 16.192 16.764 ( 6.567 1.914 -5.098) 8.531 17.063 ( -4.751 13.799 -3.560) 15.022 20.227 ( 0.279 4.673 32.147) 32.486 21.654 ( -0.069 8.137 -14.801) 16.891 26.351 ( 0.419 -8.821 18.217) 20.245 26.927 ( 0.071 -0.485 5.279) 5.301 28.119 ( 2.176 6.858 0.794) 7.239 28.996 ( 7.611 -1.752 -17.506) 19.169 30.499 ( -7.833 1.885 2.466) 8.426 30.734 ( -4.498 7.953 -4.640) 10.248 ======================= Grid point 521 (160/216) ======================= q-point: (-0.09 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 0.000 5.434 18.380) 19.167 3.836 ( 0.000 0.630 37.102) 37.107 4.020 ( 0.000 4.412 -15.107) 15.739 5.004 ( 0.000 13.850 -28.825) 31.980 5.418 ( 0.000 14.030 2.593) 14.268 5.817 ( 0.000 20.823 -27.821) 34.751 6.515 ( 0.000 10.065 13.816) 17.093 7.704 ( 0.000 10.047 -14.744) 17.841 8.631 ( -0.000 -18.166 2.919) 18.399 8.984 ( -0.000 -1.316 -4.226) 4.427 9.067 ( -0.000 -6.496 -10.794) 12.598 10.280 ( -0.000 -2.545 -22.989) 23.129 11.269 ( -0.000 -24.014 15.074) 28.354 11.280 ( -0.000 -11.871 20.074) 23.321 11.793 ( -0.000 -23.463 -1.792) 23.531 12.461 ( -0.000 -3.568 5.159) 6.273 12.813 ( 0.000 9.889 9.291) 13.569 12.985 ( 0.000 0.335 -13.906) 13.910 13.144 ( -0.000 -0.402 -2.883) 2.911 13.747 ( 0.000 0.883 8.032) 8.080 13.811 ( 0.000 6.952 -17.416) 18.752 14.012 ( -0.000 -2.506 -2.097) 3.268 14.867 ( -0.000 -18.914 5.549) 19.711 15.099 ( -0.000 -9.244 -4.264) 10.180 16.221 ( 0.000 1.614 9.506) 9.642 16.395 ( 0.000 5.170 12.289) 13.332 16.738 ( 0.000 5.095 -4.737) 6.957 16.781 ( 0.000 15.104 -0.664) 15.119 20.174 ( 0.000 1.758 29.804) 29.855 21.505 ( 0.000 9.126 -13.752) 16.504 26.528 ( -0.000 -11.306 13.383) 17.519 26.948 ( -0.000 -1.991 5.093) 5.468 27.988 ( 0.000 9.829 5.441) 11.235 29.053 ( 0.000 0.241 -20.064) 20.065 30.427 ( 0.000 1.198 2.167) 2.476 30.583 ( 0.000 6.560 -2.703) 7.095 ======================= Grid point 524 (161/216) ======================= q-point: ( 0.18 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( -2.723 0.000 18.168) 18.371 3.718 ( 5.044 -0.000 15.442) 16.245 4.579 ( 5.234 -0.000 -19.818) 20.498 4.742 ( 16.974 -0.000 -21.933) 27.734 5.703 ( 12.155 -0.000 -9.047) 15.152 5.853 ( 33.184 -0.000 19.076) 38.276 6.600 ( 10.128 -0.000 -0.003) 10.128 7.445 ( -8.086 0.000 -22.347) 23.765 8.766 ( -11.250 0.000 1.531) 11.354 8.975 ( -2.332 0.000 -0.568) 2.401 8.982 ( -7.771 0.000 -11.756) 14.092 10.115 ( -5.589 0.000 -15.648) 16.616 11.014 ( -16.181 0.000 10.420) 19.246 11.313 ( -21.344 0.000 3.819) 21.683 11.995 ( -8.225 0.000 12.924) 15.319 12.215 ( -7.094 0.000 -3.817) 8.056 12.859 ( 5.704 -0.000 1.286) 5.847 12.940 ( -5.688 0.000 -3.078) 6.467 13.321 ( 6.414 -0.000 -2.124) 6.756 13.624 ( -0.116 0.000 -3.383) 3.385 13.930 ( -4.585 0.000 -1.611) 4.859 14.054 ( 8.751 -0.000 -4.006) 9.624 15.178 ( -6.788 0.000 0.054) 6.788 15.209 ( -5.045 0.000 -0.851) 5.117 16.043 ( -1.721 0.000 12.203) 12.323 16.309 ( -2.789 0.000 5.804) 6.439 16.493 ( 6.575 -0.000 8.902) 11.067 17.117 ( 18.091 -0.000 -10.511) 20.923 20.036 ( -4.193 0.000 30.161) 30.451 21.303 ( 0.143 -0.000 -10.830) 10.831 26.728 ( -14.138 0.000 8.246) 16.367 26.783 ( -0.139 0.000 5.421) 5.422 27.656 ( -0.995 0.000 17.588) 17.616 28.687 ( -3.145 0.000 -10.869) 11.315 30.578 ( 5.994 -0.000 6.359) 8.739 31.278 ( 24.627 -0.000 -19.757) 31.572 ======================= Grid point 525 (162/216) ======================= q-point: ( 0.27 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( -4.314 -7.164 16.032) 18.082 3.813 ( 9.514 -2.431 13.587) 16.764 4.685 ( 15.076 -2.203 -12.026) 19.411 4.910 ( 12.547 -2.641 -23.307) 26.601 5.799 ( 10.708 1.257 -2.744) 11.126 6.293 ( 29.834 -9.444 6.574) 31.976 6.685 ( 9.102 0.070 4.287) 10.062 7.414 ( -9.983 -7.631 -10.627) 16.457 8.547 ( -13.478 11.348 1.218) 17.661 8.873 ( -6.800 -0.451 -9.791) 11.929 9.013 ( -4.205 -3.742 -8.288) 10.019 10.069 ( -7.409 -1.526 -14.922) 16.730 10.772 ( -6.305 12.089 6.446) 15.081 11.086 ( -16.280 5.851 1.842) 17.397 11.857 ( -12.402 4.511 6.913) 14.898 12.184 ( -7.023 -3.069 -2.354) 8.018 12.651 ( -1.082 21.319 -1.381) 21.391 12.898 ( -3.748 -0.875 -5.815) 6.974 13.442 ( 3.461 -7.146 2.724) 8.395 13.749 ( 5.258 -9.450 0.010) 10.814 13.870 ( -1.858 1.841 2.900) 3.905 14.205 ( 4.865 -7.677 -6.173) 10.987 14.989 ( -8.524 11.567 2.370) 14.563 15.100 ( -6.058 6.031 -1.639) 8.703 16.075 ( -0.500 -4.804 13.862) 14.680 16.342 ( 1.424 -3.245 7.056) 7.896 16.620 ( 2.084 -8.791 6.199) 10.957 17.202 ( 15.273 9.384 -10.852) 20.954 20.034 ( -1.703 -3.558 31.729) 31.973 21.368 ( 0.361 -6.950 -11.786) 13.687 26.511 ( -9.985 7.419 13.707) 18.510 26.829 ( -2.299 -3.972 3.905) 6.026 27.696 ( -1.218 -5.048 14.945) 15.821 28.685 ( 0.562 -0.796 -11.368) 11.410 30.644 ( 5.487 -0.994 8.403) 10.085 31.469 ( 20.061 3.337 -20.818) 29.103 ======================= Grid point 526 (163/216) ======================= q-point: ( 0.36 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( -4.442 -14.007 16.639) 22.198 3.976 ( 11.936 -4.412 14.548) 19.328 4.911 ( 22.406 -1.354 -9.515) 24.380 5.088 ( 9.461 -5.375 -19.118) 21.998 5.861 ( 5.482 1.743 1.722) 6.004 6.456 ( 4.264 5.137 -17.580) 18.805 6.988 ( 16.944 -17.340 21.042) 32.102 7.481 ( -9.738 -8.223 -0.320) 12.749 8.181 ( -11.036 14.508 3.465) 18.555 8.835 ( -8.683 -2.608 -14.972) 17.503 9.026 ( -1.868 -1.474 -12.150) 12.380 10.030 ( -7.336 -3.026 -14.575) 16.596 10.540 ( -2.713 10.007 4.487) 11.298 10.811 ( -5.602 13.442 -2.010) 14.700 11.625 ( -10.847 8.090 0.866) 13.559 12.045 ( -7.601 17.781 -8.158) 20.988 12.384 ( 3.041 1.712 6.130) 7.053 12.924 ( -6.519 -7.406 -6.456) 11.791 13.615 ( 2.363 -9.172 5.220) 10.815 13.820 ( 2.821 3.025 5.644) 6.998 13.941 ( 4.659 -3.852 1.905) 6.338 14.364 ( 1.482 -6.242 -7.425) 9.813 14.691 ( -9.242 11.598 5.534) 15.829 14.927 ( -6.557 5.827 -2.390) 9.092 16.174 ( 1.123 -5.708 13.918) 15.085 16.380 ( 2.267 1.123 8.654) 9.016 16.803 ( 0.431 -8.907 1.859) 9.109 17.134 ( 8.323 9.157 -8.989) 15.295 20.121 ( 0.883 -6.644 32.749) 33.427 21.521 ( 0.767 -9.657 -13.006) 16.218 26.318 ( -6.718 5.561 18.135) 20.123 26.871 ( -1.461 -3.179 2.811) 4.488 27.785 ( -1.474 -6.803 10.785) 12.836 28.711 ( 2.205 -0.332 -11.996) 12.202 30.708 ( 3.591 -1.032 9.494) 10.203 31.552 ( 14.837 6.810 -19.144) 25.159 ======================= Grid point 527 (164/216) ======================= q-point: ( 0.45 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( -2.542 -16.968 17.863) 24.768 4.181 ( 10.246 -6.448 14.097) 18.582 5.106 ( 15.614 2.680 -11.488) 19.569 5.232 ( 9.365 0.400 -8.453) 12.622 5.818 ( 3.234 5.944 6.622) 9.468 6.485 ( -0.994 -7.607 -18.283) 19.827 7.286 ( -11.468 0.792 13.981) 18.100 7.470 ( 3.988 -8.991 8.008) 12.684 8.000 ( -1.482 -1.074 1.218) 2.199 8.756 ( -9.494 2.125 -17.154) 19.721 9.032 ( -0.817 -0.786 -16.321) 16.361 10.047 ( -4.988 -5.992 -16.706) 18.435 10.367 ( -7.214 5.411 4.846) 10.238 10.557 ( 4.576 14.397 -3.615) 15.533 11.375 ( -5.641 14.308 -2.239) 15.542 11.670 ( 3.052 16.445 -7.630) 18.384 12.522 ( 2.419 -11.004 6.795) 13.157 12.992 ( -6.797 -7.817 -4.077) 11.132 13.754 ( 0.113 -2.151 6.078) 6.448 13.818 ( 3.617 -1.460 7.140) 8.136 13.964 ( 3.664 4.699 2.198) 6.351 14.371 ( -3.702 5.501 -2.039) 6.937 14.485 ( -4.809 3.859 0.706) 6.206 14.820 ( -6.612 -1.339 -3.438) 7.571 16.256 ( 1.717 -0.920 9.421) 9.620 16.375 ( 1.851 0.459 11.217) 11.378 16.812 ( 5.293 8.930 0.063) 10.381 17.188 ( -2.238 -10.784 -5.834) 12.464 20.253 ( 1.862 -6.746 33.165) 33.896 21.685 ( 0.935 -8.183 -13.481) 15.798 26.195 ( -4.161 2.901 20.923) 21.529 26.908 ( -0.572 -2.316 2.699) 3.602 27.896 ( -0.673 -7.626 6.002) 9.728 28.733 ( 2.767 0.542 -12.351) 12.669 30.741 ( 0.757 -0.320 9.626) 9.661 31.532 ( 9.943 9.481 -16.355) 21.360 ======================= Grid point 528 (165/216) ======================= q-point: ( 0.55 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( 0.264 -10.784 15.334) 18.748 4.362 ( 3.327 -5.569 10.553) 12.387 5.049 ( -4.192 8.727 -0.073) 9.681 5.248 ( 9.355 7.059 -1.391) 11.802 5.881 ( 14.896 -3.649 1.065) 15.373 6.482 ( -9.472 8.063 -1.509) 12.530 7.205 ( -2.356 -11.759 -6.369) 13.579 7.704 ( -4.723 -14.497 14.911) 21.326 8.062 ( 1.512 -3.354 -4.247) 5.619 8.573 ( -7.645 9.634 -17.955) 21.763 9.029 ( -1.759 -0.136 -17.750) 17.837 10.092 ( -4.037 -2.398 -6.491) 8.011 10.229 ( -8.644 0.727 -12.195) 14.965 10.456 ( 9.641 5.163 0.536) 10.950 11.067 ( -2.326 12.991 0.711) 13.217 11.576 ( 12.930 7.345 -9.318) 17.549 12.738 ( -0.914 -12.065 6.159) 13.577 13.059 ( -2.106 -5.853 -0.785) 6.269 13.685 ( -0.321 7.600 9.774) 12.385 13.867 ( 1.167 0.866 5.253) 5.450 13.952 ( -0.070 -0.979 4.560) 4.665 14.229 ( -1.579 5.877 -2.009) 6.408 14.374 ( -3.294 4.404 -1.774) 5.779 14.804 ( -6.996 -2.731 -7.060) 10.307 16.215 ( -0.329 4.948 7.996) 9.409 16.433 ( 6.616 -2.003 8.935) 11.296 16.735 ( 1.077 2.847 4.937) 5.800 17.343 ( -3.643 -9.482 -5.948) 11.771 20.366 ( 1.568 -4.131 33.224) 33.516 21.804 ( 0.732 -4.714 -13.490) 14.308 26.134 ( -2.388 0.608 22.577) 22.711 26.934 ( -0.167 -1.090 3.353) 3.530 28.027 ( 0.762 -7.607 1.070) 7.719 28.750 ( 3.095 0.577 -12.379) 12.773 30.730 ( -2.262 0.812 9.014) 9.329 31.431 ( 5.630 11.164 -13.530) 18.423 ======================= Grid point 529 (166/216) ======================= q-point: (-0.36 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( -1.297 2.501 10.703) 11.068 4.348 ( -4.367 7.425 10.568) 13.634 4.896 ( -4.277 2.340 1.665) 5.152 5.234 ( 10.283 4.475 0.287) 11.218 6.039 ( -7.578 5.477 7.493) 11.982 6.263 ( 9.530 -1.003 2.500) 9.903 7.512 ( 5.059 -16.340 -17.360) 24.371 7.886 ( -8.963 -15.393 18.558) 25.723 8.102 ( -0.521 -0.593 -2.616) 2.732 8.294 ( -4.655 14.536 -20.465) 25.530 9.003 ( -2.479 0.567 -16.462) 16.657 10.066 ( -0.504 6.007 -10.277) 11.914 10.152 ( -4.787 -4.571 -0.085) 6.620 10.525 ( 4.388 -2.461 -5.618) 7.541 11.023 ( 3.556 -8.901 -0.807) 9.619 11.584 ( 12.182 7.822 -12.322) 19.011 12.874 ( -3.873 -7.135 7.292) 10.912 13.156 ( 2.393 -4.016 -0.319) 4.686 13.559 ( 1.784 6.517 10.910) 12.833 13.819 ( -6.869 3.245 7.237) 10.492 13.929 ( -0.229 1.004 6.437) 6.519 14.135 ( 1.706 6.567 -4.416) 8.096 14.343 ( -0.739 -3.327 -3.159) 4.646 14.753 ( -7.268 0.090 -10.953) 13.146 16.145 ( 1.060 2.744 10.684) 11.081 16.547 ( 5.993 -3.452 8.533) 10.984 16.720 ( -0.606 -0.271 5.358) 5.399 17.418 ( -3.590 -3.254 -6.227) 7.890 20.415 ( 0.802 -0.212 33.166) 33.176 21.856 ( 0.361 -0.895 -13.629) 13.663 26.124 ( -1.185 -1.283 23.216) 23.282 26.941 ( -0.145 0.051 4.134) 4.137 28.155 ( 1.803 -5.428 -2.700) 6.325 28.785 ( 3.556 -1.299 -12.629) 13.184 30.672 ( -4.464 2.046 7.984) 9.374 31.271 ( 2.112 11.948 -11.042) 16.405 ======================= Grid point 530 (167/216) ======================= q-point: (-0.27 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( -4.226 10.646 8.550) 14.293 4.132 ( -3.057 10.872 18.525) 21.696 4.788 ( -0.291 10.647 -3.592) 11.240 5.318 ( 11.641 -1.583 -5.337) 12.903 5.735 ( -13.992 10.426 3.973) 17.896 6.501 ( 6.879 -7.225 -1.196) 10.047 7.698 ( 8.219 6.890 -0.082) 10.725 7.846 ( -6.470 10.870 0.258) 12.653 8.089 ( -5.582 -6.540 13.469) 15.980 8.286 ( 0.101 -16.155 -22.575) 27.760 8.974 ( -1.496 0.415 -15.043) 15.123 9.927 ( -0.412 5.026 -11.577) 12.628 10.328 ( -0.688 -16.229 5.111) 17.029 10.636 ( 2.470 -8.585 -3.948) 9.767 11.354 ( 5.014 -20.537 -7.415) 22.403 11.517 ( 4.698 8.634 -11.548) 15.164 12.945 ( 1.143 -3.407 6.918) 7.796 13.185 ( -0.955 1.147 -0.176) 1.503 13.498 ( 2.606 6.690 6.235) 9.509 13.679 ( -6.947 1.251 10.684) 12.805 13.928 ( -2.032 -1.231 5.036) 5.568 14.064 ( 3.351 4.164 -1.772) 5.631 14.392 ( -1.443 -1.928 -5.047) 5.592 14.712 ( -3.670 -3.347 -11.652) 12.667 16.149 ( 1.432 -1.387 12.763) 12.917 16.617 ( 0.109 0.155 17.974) 17.975 16.747 ( 3.272 -2.058 -5.248) 6.518 17.382 ( -2.784 3.786 -5.847) 7.501 20.391 ( 0.201 3.395 33.130) 33.304 21.843 ( 0.068 2.627 -14.143) 14.385 26.154 ( -0.373 -3.263 22.754) 22.990 26.933 ( -0.141 0.546 4.676) 4.709 28.228 ( 1.495 -1.013 -3.798) 4.206 28.868 ( 3.433 -4.276 -14.291) 15.307 30.583 ( -4.406 3.029 6.853) 8.692 31.077 ( -0.083 11.891 -8.789) 14.787 ======================= Grid point 531 (168/216) ======================= q-point: (-0.18 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( 0.000 9.007 6.568) 11.148 3.957 ( 0.000 7.737 27.537) 28.603 4.527 ( 0.000 18.625 -0.959) 18.650 5.436 ( 0.000 12.320 -8.373) 14.896 5.494 ( -0.000 -6.420 -14.326) 15.699 6.500 ( 0.000 11.693 -16.769) 20.443 7.305 ( 0.000 30.190 26.341) 40.066 7.940 ( -0.000 -15.886 -5.044) 16.668 8.076 ( 0.000 5.733 8.968) 10.644 8.613 ( -0.000 -19.530 -16.374) 25.486 8.962 ( 0.000 0.089 -14.666) 14.666 9.957 ( -0.000 -8.537 -10.582) 13.596 10.611 ( -0.000 -16.167 5.643) 17.123 10.910 ( -0.000 -22.283 -3.242) 22.518 11.332 ( 0.000 10.423 -4.062) 11.187 11.812 ( -0.000 -24.992 -8.548) 26.414 12.992 ( 0.000 0.295 4.915) 4.924 13.149 ( 0.000 1.428 0.780) 1.627 13.328 ( 0.000 11.513 -0.046) 11.513 13.686 ( -0.000 -3.265 12.557) 12.975 13.927 ( 0.000 0.142 -3.027) 3.030 14.030 ( 0.000 2.445 -0.192) 2.453 14.419 ( -0.000 -4.774 -0.232) 4.779 14.799 ( -0.000 -7.752 -9.511) 12.270 16.195 ( -0.000 -2.512 12.661) 12.908 16.572 ( 0.000 4.016 17.611) 18.063 16.806 ( -0.000 -1.289 -6.588) 6.713 17.246 ( 0.000 10.122 -4.746) 11.179 20.315 ( 0.000 5.234 32.945) 33.358 21.772 ( 0.000 5.690 -14.758) 15.817 26.229 ( -0.000 -5.824 21.115) 21.903 26.925 ( 0.000 0.248 5.035) 5.041 28.216 ( 0.000 3.268 -2.294) 3.993 28.972 ( -0.000 -4.840 -17.006) 17.682 30.503 ( 0.000 3.126 5.461) 6.292 30.880 ( 0.000 10.809 -6.521) 12.624 ======================= Grid point 536 (169/216) ======================= q-point: ( 0.27 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( -5.560 0.000 12.653) 13.820 3.922 ( 15.646 -0.000 12.090) 19.773 4.772 ( 14.589 -0.000 -9.592) 17.460 5.032 ( 12.465 -0.000 -27.564) 30.252 5.956 ( 13.191 -0.000 5.607) 14.333 6.487 ( 28.120 -0.000 14.383) 31.585 6.834 ( 14.945 -0.000 -1.409) 15.012 7.194 ( -17.801 0.000 -10.957) 20.903 8.506 ( -15.097 0.000 0.013) 15.097 8.784 ( -12.137 0.000 -14.631) 19.010 8.930 ( -2.212 0.000 -4.606) 5.110 9.988 ( -7.115 0.000 -14.058) 15.756 10.885 ( 2.881 -0.000 0.543) 2.931 10.940 ( -15.949 0.000 4.117) 16.472 11.842 ( -6.822 0.000 7.786) 10.352 12.039 ( -9.750 0.000 -6.177) 11.542 12.801 ( -9.902 0.000 -0.601) 9.921 12.864 ( -4.335 0.000 -2.465) 4.987 13.492 ( 9.697 -0.000 -1.800) 9.862 13.553 ( -5.270 0.000 1.968) 5.626 13.924 ( 2.918 -0.000 1.581) 3.319 14.167 ( 3.033 -0.000 -4.624) 5.530 15.024 ( -8.745 0.000 0.905) 8.792 15.080 ( -7.814 0.000 -0.678) 7.844 16.040 ( 1.205 -0.000 14.036) 14.088 16.264 ( -1.931 0.000 6.438) 6.722 16.618 ( 6.227 -0.000 10.812) 12.477 17.442 ( 14.606 -0.000 -12.759) 19.394 19.990 ( -0.420 0.000 31.579) 31.582 21.308 ( 0.349 -0.000 -11.064) 11.069 26.466 ( -12.076 0.000 14.163) 18.612 26.772 ( -1.021 0.000 3.515) 3.660 27.657 ( 1.085 -0.000 16.990) 17.025 28.701 ( 3.521 -0.000 -12.087) 12.590 30.691 ( 5.364 -0.000 11.031) 12.266 31.677 ( 16.314 -0.000 -22.902) 28.119 ======================= Grid point 537 (170/216) ======================= q-point: ( 0.36 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -5.521 -7.594 12.322) 15.491 4.098 ( 19.198 -0.529 13.138) 23.269 5.001 ( 17.213 -7.232 -5.915) 19.585 5.145 ( 10.894 -0.745 -27.461) 29.552 6.018 ( 10.045 5.475 10.505) 15.532 6.640 ( 2.643 10.176 -9.525) 14.187 6.918 ( 9.342 -6.258 16.559) 20.016 7.237 ( -0.350 -12.458 -4.206) 13.153 8.273 ( -13.551 9.235 -0.556) 16.408 8.683 ( -12.087 -2.674 -14.606) 19.147 8.946 ( -2.826 -3.601 -9.281) 10.348 9.932 ( -5.878 -1.135 -15.024) 16.172 10.681 ( -6.103 10.935 5.350) 13.618 10.955 ( 4.420 3.454 -4.550) 7.223 11.662 ( -6.348 8.273 4.569) 11.384 12.054 ( -5.365 -5.385 -4.442) 8.804 12.575 ( -7.759 14.513 -1.918) 16.569 12.767 ( -9.254 -1.040 -2.991) 9.781 13.491 ( 1.306 -5.053 4.452) 6.860 13.787 ( 1.495 -12.190 0.408) 12.288 13.931 ( 5.176 1.021 2.419) 5.804 14.254 ( 0.755 -6.747 -5.222) 8.565 14.811 ( -9.378 12.412 3.382) 15.920 14.958 ( -7.981 5.427 -1.520) 9.770 16.087 ( 1.325 -4.545 15.176) 15.897 16.370 ( 1.432 -9.428 5.758) 11.140 16.662 ( 2.228 -0.765 9.738) 10.019 17.461 ( 10.935 12.128 -11.950) 20.235 20.034 ( 1.420 -4.457 31.674) 32.018 21.377 ( 0.580 -7.243 -11.675) 13.752 26.325 ( -8.471 3.671 16.773) 19.146 26.794 ( -1.552 -3.431 2.106) 4.315 27.699 ( 1.230 -3.242 15.663) 16.043 28.741 ( 4.291 0.022 -12.736) 13.440 30.739 ( 4.055 0.022 12.587) 13.224 31.779 ( 12.028 4.190 -22.241) 25.630 ======================= Grid point 538 (171/216) ======================= q-point: ( 0.45 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( -4.430 -15.382 14.644) 21.695 4.295 ( 20.025 0.474 16.174) 25.745 5.192 ( 2.528 -1.786 -11.589) 11.995 5.347 ( 19.378 -4.104 -15.765) 25.316 5.973 ( 2.814 6.452 5.723) 9.072 6.459 ( 1.154 6.366 -9.048) 11.123 7.077 ( -11.589 -9.390 16.022) 21.890 7.421 ( 4.871 -3.000 4.551) 7.310 8.041 ( -1.998 5.194 -3.213) 6.426 8.627 ( -11.649 -3.709 -16.018) 20.150 8.978 ( -2.918 -3.207 -14.689) 15.316 9.921 ( -3.847 -3.391 -18.067) 18.780 10.443 ( -5.608 10.586 6.586) 13.671 10.851 ( 6.146 13.455 -7.275) 16.484 11.519 ( 0.177 6.940 2.143) 7.266 11.968 ( 0.592 13.322 -7.837) 15.468 12.386 ( -3.830 -3.677 4.792) 7.151 12.770 ( -8.708 -8.884 -3.451) 12.909 13.631 ( -0.562 -9.201 5.792) 10.887 13.851 ( 1.572 1.198 5.932) 6.253 14.053 ( 5.621 -2.758 0.692) 6.299 14.370 ( -0.083 -4.731 -5.519) 7.269 14.503 ( -9.606 9.858 4.676) 14.537 14.774 ( -8.316 5.649 -2.672) 10.402 16.209 ( 1.918 -7.213 16.251) 17.883 16.444 ( 4.073 5.164 10.008) 11.976 16.783 ( -2.088 -13.959 1.612) 14.206 17.280 ( 6.145 17.451 -10.543) 21.294 20.152 ( 2.032 -7.012 32.242) 33.058 21.537 ( 0.802 -9.888 -12.592) 16.031 26.201 ( -4.999 3.026 19.321) 20.186 26.845 ( -1.135 -3.930 1.078) 4.230 27.784 ( 0.908 -5.509 12.285) 13.494 28.776 ( 3.756 0.623 -13.074) 13.617 30.762 ( 1.966 0.847 13.050) 13.225 31.772 ( 8.049 8.000 -20.028) 23.020 ======================= Grid point 539 (172/216) ======================= q-point: ( 0.55 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( -2.501 -19.843 16.240) 25.763 4.441 ( 15.427 3.283 15.169) 21.883 5.114 ( -9.714 6.962 2.829) 12.281 5.500 ( 14.938 6.770 -10.514) 19.481 5.971 ( 7.046 -3.163 -11.506) 13.858 6.450 ( -0.455 0.496 -5.847) 5.886 7.051 ( -7.396 -4.613 16.596) 18.746 7.430 ( -10.174 -4.691 12.553) 16.825 8.083 ( 9.048 -2.309 -7.695) 12.100 8.561 ( -9.918 -0.045 -18.249) 20.770 8.997 ( -2.156 -1.933 -19.111) 19.329 9.977 ( -2.092 -6.555 -21.722) 22.786 10.218 ( -6.274 8.582 5.571) 12.003 10.683 ( 5.108 11.534 -6.976) 14.415 11.324 ( 0.552 16.604 2.158) 16.753 11.828 ( 11.605 8.345 -6.812) 15.834 12.505 ( -5.522 -12.329 7.059) 15.242 12.885 ( -3.126 -11.208 -2.429) 11.887 13.732 ( -1.688 -2.546 7.671) 8.257 13.878 ( 2.389 -2.843 6.273) 7.290 14.001 ( -0.062 10.490 7.622) 12.967 14.306 ( -2.087 3.121 0.730) 3.825 14.425 ( -0.650 3.413 -6.195) 7.103 14.661 ( -8.809 -3.461 -5.429) 10.911 16.307 ( 3.258 3.391 12.021) 12.908 16.401 ( 0.251 -3.672 15.969) 16.388 16.921 ( 5.765 8.683 -5.375) 11.727 17.124 ( -4.201 -6.674 -6.444) 10.185 20.289 ( 1.567 -6.539 32.794) 33.476 21.701 ( 0.671 -8.142 -13.049) 15.395 26.127 ( -2.560 1.403 21.301) 21.500 26.897 ( -0.463 -2.955 1.318) 3.268 27.902 ( 0.805 -7.489 7.224) 10.436 28.793 ( 2.758 1.006 -13.070) 13.395 30.746 ( -0.131 2.070 12.593) 12.763 31.672 ( 4.582 10.854 -17.302) 20.932 ======================= Grid point 540 (173/216) ======================= q-point: ( 0.64 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( -0.547 -13.036 13.595) 18.843 4.460 ( 5.006 7.188 11.001) 14.063 4.883 ( -7.674 5.424 9.894) 13.645 5.450 ( 8.003 10.137 -5.035) 13.862 6.107 ( 2.136 0.999 -5.933) 6.385 6.340 ( -0.233 4.908 0.117) 4.915 7.230 ( 4.821 -15.353 -5.012) 16.855 7.489 ( -12.858 -17.783 22.078) 31.129 8.183 ( 7.656 2.010 -3.971) 8.856 8.420 ( -7.214 6.775 -25.228) 27.100 8.996 ( -1.171 0.207 -19.373) 19.409 10.043 ( -0.963 0.678 4.191) 4.353 10.105 ( -3.678 -3.939 -22.869) 23.496 10.583 ( 2.924 4.819 -7.335) 9.250 11.067 ( 1.129 11.301 7.179) 13.436 11.819 ( 9.142 7.289 -11.427) 16.349 12.662 ( -4.717 -12.309 9.908) 16.490 13.060 ( 0.949 -9.387 -2.181) 9.683 13.704 ( 2.528 5.444 11.441) 12.920 13.801 ( -5.410 5.947 12.492) 14.856 13.965 ( 0.700 -1.201 3.940) 4.178 14.257 ( 3.239 3.940 -3.282) 6.065 14.317 ( -2.618 4.452 -4.438) 6.810 14.669 ( -5.094 -3.381 -10.086) 11.794 16.227 ( 0.775 5.663 11.166) 12.544 16.515 ( 1.683 -5.845 18.327) 19.310 16.770 ( 1.851 7.856 -7.065) 10.727 17.276 ( -2.422 -9.989 -5.559) 11.686 20.389 ( 0.700 -3.700 33.027) 33.241 21.814 ( 0.313 -4.531 -13.242) 14.000 26.100 ( -0.966 -0.169 22.645) 22.666 26.931 ( -0.116 -1.268 2.519) 2.822 28.046 ( 0.719 -8.228 1.581) 8.409 28.802 ( 1.649 0.244 -12.924) 13.031 30.693 ( -1.203 3.228 11.432) 11.940 31.502 ( 1.764 12.560 -14.529) 19.286 ======================= Grid point 541 (174/216) ======================= q-point: (-0.27 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( 0.000 5.228 10.202) 11.464 4.308 ( 0.000 11.059 12.380) 16.600 4.846 ( -0.000 -1.698 2.423) 2.959 5.372 ( 0.000 2.944 -5.200) 5.975 5.901 ( 0.000 15.594 16.491) 22.696 6.405 ( -0.000 -6.630 -5.842) 8.837 7.571 ( -0.000 -20.288 -18.820) 27.673 7.764 ( -0.000 -18.115 26.123) 31.790 8.110 ( 0.000 11.105 8.570) 14.027 8.241 ( 0.000 7.449 -34.504) 35.299 8.977 ( 0.000 0.932 -16.960) 16.985 10.067 ( 0.000 7.961 -20.468) 21.961 10.096 ( -0.000 -9.025 8.799) 12.605 10.568 ( -0.000 -1.294 -6.452) 6.581 11.070 ( -0.000 -11.376 0.545) 11.389 11.719 ( 0.000 9.751 -13.694) 16.811 12.828 ( -0.000 -9.371 9.248) 13.166 13.176 ( -0.000 -3.166 -2.171) 3.839 13.642 ( 0.000 3.462 14.962) 15.357 13.667 ( 0.000 6.438 9.970) 11.868 13.937 ( 0.000 2.819 4.032) 4.920 14.169 ( 0.000 6.270 -2.845) 6.885 14.333 ( -0.000 -4.371 -5.063) 6.689 14.666 ( -0.000 -0.122 -13.140) 13.141 16.160 ( 0.000 2.260 12.642) 12.843 16.600 ( -0.000 -2.793 19.989) 20.184 16.724 ( -0.000 -0.823 -7.660) 7.704 17.376 ( -0.000 -3.046 -6.049) 6.773 20.423 ( 0.000 0.087 33.084) 33.084 21.860 ( -0.000 -0.748 -13.576) 13.597 26.111 ( -0.000 -1.613 23.183) 23.239 26.939 ( 0.000 0.085 3.792) 3.793 28.175 ( -0.000 -5.912 -2.625) 6.468 28.825 ( -0.000 -2.194 -13.241) 13.422 30.624 ( 0.000 3.779 9.646) 10.360 31.291 ( 0.000 12.992 -11.727) 17.502 ======================= Grid point 548 (175/216) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -4.848 0.000 10.008) 11.120 4.295 ( 21.631 -0.000 8.914) 23.395 5.122 ( 20.277 -0.000 -0.005) 20.277 5.224 ( 7.893 -0.000 -25.056) 26.269 6.138 ( 1.134 -0.000 16.040) 16.080 6.766 ( 1.980 -0.000 1.132) 2.281 6.833 ( -14.426 0.000 -6.515) 15.829 7.241 ( 23.394 -0.000 2.380) 23.515 8.215 ( -13.724 0.000 -2.160) 13.893 8.532 ( -13.168 0.000 -13.989) 19.212 8.892 ( -1.592 0.000 -10.079) 10.204 9.874 ( -4.045 0.000 -16.525) 17.012 10.724 ( -6.254 0.000 8.794) 10.791 11.059 ( 12.295 -0.000 -6.241) 13.788 11.757 ( -1.110 0.000 4.751) 4.879 11.886 ( -4.854 0.000 -4.651) 6.723 12.543 ( -15.920 0.000 -0.356) 15.924 12.708 ( -11.330 0.000 -5.661) 12.666 13.481 ( -1.908 0.000 5.421) 5.747 13.663 ( 7.508 -0.000 -4.161) 8.584 13.994 ( 3.646 -0.000 2.448) 4.392 14.191 ( 0.050 -0.000 -2.680) 2.680 14.858 ( -7.849 0.000 1.544) 8.000 14.927 ( -7.399 0.000 -0.481) 7.415 16.074 ( 1.891 -0.000 13.817) 13.946 16.234 ( -1.251 0.000 6.750) 6.865 16.726 ( 4.623 -0.000 13.114) 13.905 17.666 ( 8.377 -0.000 -11.971) 14.611 20.012 ( 2.240 -0.000 30.261) 30.344 21.316 ( 0.420 -0.000 -10.950) 10.958 26.277 ( -7.361 0.000 16.816) 18.356 26.749 ( -1.176 0.000 1.619) 2.001 27.690 ( 1.980 -0.000 17.243) 17.356 28.786 ( 4.480 -0.000 -13.382) 14.111 30.777 ( 3.428 -0.000 14.546) 14.945 31.916 ( 8.626 -0.000 -23.000) 24.564 ======================= Grid point 549 (176/216) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -3.472 -7.771 11.092) 13.981 4.516 ( 22.226 -0.761 9.438) 24.159 5.201 ( 2.206 3.703 -8.606) 9.625 5.444 ( 19.617 -7.409 -7.968) 22.432 6.035 ( -10.622 4.152 8.029) 13.948 6.641 ( 3.080 8.659 -6.538) 11.278 6.826 ( -10.124 -5.629 5.625) 12.877 7.470 ( 12.964 -1.116 4.469) 13.758 8.069 ( -6.689 2.275 -4.454) 8.352 8.446 ( -11.039 -3.680 -13.966) 18.178 8.900 ( -1.813 -2.370 -13.900) 14.216 9.854 ( -2.269 -1.253 -18.837) 19.014 10.587 ( -2.854 9.960 10.013) 14.408 11.111 ( 7.740 8.317 -9.012) 14.502 11.648 ( 5.604 5.980 4.546) 9.372 12.008 ( -0.165 -7.997 -2.489) 8.377 12.353 ( -12.215 5.766 -2.319) 13.705 12.563 ( -11.814 -1.840 -4.186) 12.668 13.499 ( -0.054 -4.801 5.740) 7.484 13.834 ( 2.701 -7.373 -2.005) 8.104 14.015 ( 3.207 -1.802 2.475) 4.433 14.258 ( 0.072 -6.608 -3.302) 7.388 14.648 ( -6.752 13.913 4.083) 15.995 14.818 ( -5.721 5.703 -1.473) 8.211 16.111 ( 0.909 -4.352 14.892) 15.541 16.393 ( 0.867 -15.314 4.395) 15.955 16.701 ( 1.632 6.257 13.054) 14.568 17.618 ( 5.275 13.003 -11.233) 17.975 20.072 ( 2.031 -4.337 30.256) 30.633 21.388 ( 0.460 -7.524 -11.408) 13.674 26.198 ( -4.412 2.020 18.067) 18.708 26.769 ( -0.961 -3.298 0.620) 3.491 27.729 ( 1.478 -2.505 16.281) 16.539 28.821 ( 3.356 0.481 -13.712) 14.125 30.798 ( 2.026 0.849 15.317) 15.474 31.945 ( 5.381 4.512 -22.025) 23.117 ======================= Grid point 550 (177/216) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( -1.712 -15.833 14.441) 21.498 4.713 ( 21.858 4.945 14.304) 26.586 5.079 ( -13.722 3.373 2.734) 14.393 5.706 ( 15.616 -1.464 -13.605) 20.763 5.909 ( -6.870 -0.734 -11.923) 13.780 6.560 ( 3.884 6.094 -6.252) 9.555 6.832 ( -7.320 -8.551 20.713) 23.573 7.429 ( -3.095 9.568 9.147) 13.594 8.101 ( 5.464 -5.104 -6.754) 10.076 8.427 ( -7.654 -4.051 -17.041) 19.115 8.930 ( -1.485 -3.108 -18.517) 18.835 9.875 ( -1.086 -3.429 -21.565) 21.863 10.364 ( -2.182 12.468 8.616) 15.312 10.942 ( 2.305 14.645 -10.468) 18.148 11.603 ( 5.932 12.217 2.132) 13.747 12.055 ( 7.011 3.512 -1.544) 7.992 12.231 ( -10.433 -6.283 3.003) 12.543 12.632 ( -4.430 -14.195 -3.466) 15.269 13.612 ( -0.834 -7.870 6.356) 10.150 13.879 ( 0.914 0.698 4.836) 4.971 14.156 ( 4.975 -4.731 0.052) 6.866 14.326 ( -6.666 13.162 6.274) 16.032 14.387 ( 0.352 -7.571 -5.732) 9.502 14.642 ( -4.272 8.653 -2.708) 10.023 16.235 ( 0.672 -8.618 16.770) 18.867 16.519 ( 2.799 10.259 12.417) 16.348 16.738 ( -1.904 -18.300 0.079) 18.399 17.361 ( 2.146 20.328 -10.819) 23.127 20.185 ( 1.030 -6.801 31.549) 32.290 21.549 ( 0.346 -10.021 -12.291) 15.862 26.134 ( -1.774 1.896 19.758) 19.928 26.829 ( -0.440 -4.269 0.032) 4.291 27.802 ( 0.680 -5.018 13.004) 13.955 28.833 ( 1.691 1.025 -13.676) 13.819 30.786 ( 0.573 2.057 14.999) 15.150 31.872 ( 2.485 8.448 -20.064) 21.911 ======================= Grid point 551 (178/216) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( -0.000 -20.513 16.055) 26.049 4.674 ( 0.000 12.101 13.296) 17.978 4.928 ( 0.000 4.327 11.427) 12.219 5.695 ( 0.000 11.915 -10.195) 15.682 5.989 ( -0.000 -12.189 -23.375) 26.362 6.464 ( 0.000 7.855 -3.192) 8.479 7.051 ( -0.000 -19.124 30.384) 35.902 7.235 ( 0.000 6.460 3.537) 7.364 8.224 ( -0.000 -3.278 -1.051) 3.442 8.423 ( -0.000 -0.308 -25.661) 25.663 8.973 ( -0.000 -2.328 -20.866) 20.995 9.959 ( -0.000 -7.202 -25.274) 26.281 10.153 ( 0.000 10.240 8.144) 13.084 10.728 ( 0.000 10.904 -10.169) 14.910 11.346 ( 0.000 18.359 5.052) 19.041 11.997 ( 0.000 7.989 -9.999) 12.798 12.390 ( -0.000 -15.738 12.071) 19.834 12.865 ( -0.000 -13.803 -2.930) 14.110 13.711 ( -0.000 -3.411 8.824) 9.460 13.904 ( -0.000 -3.797 5.364) 6.571 13.992 ( 0.000 15.812 11.208) 19.382 14.286 ( -0.000 -1.666 -2.694) 3.168 14.452 ( 0.000 9.911 -3.464) 10.499 14.539 ( -0.000 -8.282 -8.360) 11.768 16.353 ( 0.000 8.936 11.783) 14.788 16.392 ( -0.000 -8.784 18.562) 20.536 17.022 ( 0.000 19.032 -10.090) 21.541 17.038 ( -0.000 -16.268 -3.664) 16.675 20.306 ( -0.000 -6.377 32.591) 33.209 21.708 ( -0.000 -8.121 -12.878) 15.225 26.101 ( 0.000 0.931 21.394) 21.414 26.893 ( -0.000 -3.171 0.787) 3.267 27.912 ( -0.000 -7.482 7.608) 10.670 28.822 ( 0.000 1.084 -13.351) 13.395 30.743 ( 0.000 3.054 13.705) 14.041 31.715 ( 0.000 11.261 -17.538) 20.842 ======================= Grid point 561 (179/216) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -1.846 0.000 9.110) 9.295 4.671 ( 13.256 -0.000 -2.378) 13.468 5.374 ( 8.147 -0.000 0.513) 8.163 5.474 ( 12.614 -0.000 9.279) 15.660 5.911 ( -17.269 0.000 2.042) 17.390 6.690 ( -5.896 0.000 -9.664) 11.320 6.765 ( 2.599 -0.000 0.568) 2.660 7.605 ( 12.451 -0.000 4.581) 13.267 8.002 ( -7.797 0.000 -5.563) 9.578 8.322 ( -6.726 0.000 -12.318) 14.035 8.871 ( -0.570 0.000 -14.722) 14.733 9.829 ( -0.903 0.000 -19.924) 19.944 10.670 ( -0.554 0.000 13.857) 13.868 11.247 ( 5.107 -0.000 -6.979) 8.648 11.819 ( 5.847 -0.000 2.726) 6.451 11.874 ( 2.814 -0.000 -0.427) 2.846 12.247 ( -11.923 0.000 -2.844) 12.258 12.471 ( -10.287 0.000 -8.779) 13.524 13.465 ( -0.182 0.000 6.637) 6.640 13.769 ( 2.981 -0.000 -5.775) 6.499 14.048 ( 1.563 -0.000 2.798) 3.205 14.187 ( -0.173 0.000 -0.618) 0.642 14.743 ( -3.331 0.000 1.828) 3.800 14.819 ( -3.130 0.000 -0.485) 3.167 16.101 ( 0.780 -0.000 13.030) 13.053 16.217 ( -0.445 0.000 6.873) 6.887 16.789 ( 1.723 -0.000 14.601) 14.702 17.771 ( 2.599 -0.000 -10.590) 10.904 20.052 ( 1.333 -0.000 28.572) 28.603 21.322 ( 0.194 -0.000 -10.733) 10.735 26.182 ( -2.420 0.000 17.708) 17.873 26.732 ( -0.490 0.000 0.516) 0.711 27.721 ( 0.938 -0.000 17.578) 17.603 28.852 ( 1.893 -0.000 -14.070) 14.197 30.822 ( 1.147 -0.000 16.373) 16.413 32.023 ( 2.630 -0.000 -22.501) 22.654 ======================= Grid point 562 (180/216) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -0.000 -7.836 10.858) 13.391 4.807 ( -0.000 -7.214 -4.554) 8.531 5.180 ( 0.000 17.092 17.043) 24.137 5.746 ( -0.000 -11.580 4.480) 12.416 5.799 ( 0.000 0.546 -12.186) 12.198 6.636 ( 0.000 2.511 -11.600) 11.869 6.755 ( 0.000 1.555 9.310) 9.439 7.594 ( 0.000 8.597 7.729) 11.560 8.015 ( -0.000 -6.079 -7.414) 9.587 8.321 ( -0.000 -3.430 -13.850) 14.269 8.882 ( -0.000 -1.660 -16.535) 16.619 9.834 ( -0.000 -1.127 -20.750) 20.780 10.562 ( 0.000 10.849 12.226) 16.345 11.186 ( 0.000 10.669 -9.501) 14.286 11.830 ( 0.000 7.605 0.849) 7.652 11.901 ( -0.000 -8.293 7.490) 11.175 12.324 ( 0.000 9.500 -8.595) 12.811 12.339 ( -0.000 -14.893 -4.447) 15.543 13.498 ( -0.000 -4.472 6.229) 7.668 13.865 ( -0.000 -5.387 -2.986) 6.159 14.048 ( -0.000 -2.937 2.608) 3.928 14.260 ( -0.000 -6.853 -2.501) 7.295 14.577 ( 0.000 15.016 4.416) 15.652 14.759 ( 0.000 5.944 -1.516) 6.135 16.120 ( -0.000 -4.263 14.600) 15.209 16.402 ( -0.000 -17.494 3.783) 17.898 16.718 ( 0.000 8.807 14.388) 16.870 17.668 ( 0.000 13.131 -10.712) 16.946 20.095 ( -0.000 -4.138 29.495) 29.784 21.393 ( -0.000 -7.639 -11.266) 13.611 26.155 ( 0.000 1.579 18.392) 18.460 26.759 ( -0.000 -3.290 0.073) 3.291 27.745 ( -0.000 -2.327 16.524) 16.687 28.856 ( 0.000 0.614 -14.049) 14.063 30.817 ( 0.000 1.171 16.255) 16.297 31.996 ( 0.000 4.590 -21.789) 22.268 ======================= Grid point 625 (181/216) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 0.000 0.000 -0.085) 0.085 3.687 ( 0.000 0.000 -15.108) 15.108 4.412 ( 0.000 0.000 17.370) 17.370 4.550 ( 0.000 0.000 33.136) 33.136 4.908 ( 0.000 0.000 -27.969) 27.969 5.060 ( 0.000 0.000 -16.944) 16.944 6.570 ( 0.000 0.000 15.211) 15.211 6.965 ( 0.000 0.000 -25.245) 25.245 8.977 ( 0.000 0.000 0.053) 0.053 9.007 ( 0.000 0.000 -3.151) 3.151 9.346 ( 0.000 0.000 24.045) 24.045 9.837 ( 0.000 0.000 -23.938) 23.938 12.119 ( 0.000 0.000 10.048) 10.048 12.198 ( 0.000 0.000 7.469) 7.469 12.216 ( 0.000 0.000 4.937) 4.937 12.268 ( 0.000 0.000 -0.114) 0.114 12.718 ( 0.000 0.000 15.513) 15.513 12.993 ( 0.000 0.000 -11.601) 11.601 13.053 ( 0.000 0.000 -5.902) 5.902 13.185 ( 0.000 0.000 -15.117) 15.117 13.811 ( 0.000 0.000 5.359) 5.359 13.930 ( 0.000 0.000 -7.400) 7.400 15.290 ( 0.000 0.000 0.406) 0.406 15.300 ( 0.000 0.000 -0.657) 0.657 16.334 ( 0.000 0.000 9.680) 9.680 16.439 ( 0.000 0.000 5.131) 5.131 16.493 ( 0.000 0.000 -0.436) 0.436 16.500 ( 0.000 0.000 -6.892) 6.892 20.641 ( 0.000 0.000 22.417) 22.417 21.032 ( 0.000 0.000 -17.240) 17.240 26.890 ( 0.000 0.000 5.101) 5.101 26.981 ( 0.000 0.000 -4.351) 4.351 28.138 ( 0.000 0.000 23.585) 23.585 28.599 ( 0.000 0.000 -23.190) 23.190 30.434 ( 0.000 0.000 0.155) 0.155 30.438 ( 0.000 0.000 -0.287) 0.287 ======================= Grid point 626 (182/216) ======================= q-point: ( 0.09 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.597 ( 0.916 -0.176 0.115) 0.940 3.706 ( 0.414 -3.966 -10.787) 11.500 4.489 ( -6.746 -8.176 17.931) 20.830 4.540 ( -2.438 -5.004 18.817) 19.623 5.068 ( 12.044 -9.060 -20.139) 25.154 5.170 ( 15.893 -3.076 -17.551) 23.877 6.666 ( 2.687 -10.040 18.010) 20.793 7.077 ( 1.861 -11.962 -23.761) 26.667 8.894 ( -2.517 7.574 2.683) 8.421 8.975 ( -2.127 3.484 -5.610) 6.938 9.300 ( -1.188 4.105 24.127) 24.503 9.813 ( -1.392 1.916 -25.808) 25.917 11.756 ( -22.503 16.866 15.579) 32.149 11.949 ( -19.196 16.497 -1.561) 25.359 12.141 ( 12.763 11.757 11.333) 20.726 12.399 ( 11.192 3.770 -10.924) 16.088 12.736 ( -15.133 -5.018 8.724) 18.174 12.888 ( -11.613 1.818 -5.251) 12.874 13.147 ( 15.260 -4.366 1.725) 15.966 13.338 ( 9.132 -7.493 -14.787) 18.926 13.855 ( 4.012 -3.016 4.190) 6.538 13.945 ( 0.461 -1.476 -5.100) 5.329 15.188 ( -0.797 10.785 1.111) 10.871 15.209 ( -1.354 8.812 -1.029) 8.975 16.359 ( -1.754 -3.847 9.622) 10.510 16.463 ( -3.006 -4.036 2.953) 5.835 16.560 ( 3.106 -8.065 -1.585) 8.786 16.594 ( 6.022 -3.735 -3.843) 8.061 20.656 ( -0.839 -2.443 23.795) 23.935 21.071 ( -0.243 -4.546 -18.368) 18.924 26.848 ( -0.587 4.365 6.622) 7.953 26.958 ( -1.331 1.552 -4.330) 4.788 28.158 ( -2.424 -3.443 21.506) 21.915 28.589 ( -4.865 -1.618 -21.776) 22.372 30.469 ( 5.408 -1.391 1.316) 5.737 30.503 ( 8.178 -2.138 -2.167) 8.726 ======================= Grid point 627 (183/216) ======================= q-point: ( 0.18 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.666 ( 6.655 -4.832 5.306) 9.788 3.847 ( 2.306 -10.778 -9.628) 14.635 4.518 ( -0.512 -2.384 22.933) 23.062 4.683 ( -7.594 -13.656 1.094) 15.663 5.373 ( 12.877 -10.990 -15.353) 22.855 5.423 ( 18.737 -6.275 -18.040) 26.757 6.965 ( 5.501 -20.043 22.060) 30.309 7.381 ( 3.230 -19.641 -19.894) 28.142 8.675 ( -5.149 13.938 7.033) 16.439 8.839 ( -3.782 9.201 -9.517) 13.767 9.211 ( -0.489 4.748 23.833) 24.307 9.756 ( -1.101 2.889 -28.668) 28.834 11.229 ( -21.115 18.732 15.498) 32.201 11.436 ( -18.927 20.537 -3.743) 28.178 11.972 ( 8.774 21.823 9.624) 25.413 12.211 ( -4.548 20.001 -13.195) 24.389 12.684 ( -15.035 -9.134 8.513) 19.544 12.865 ( -8.206 -9.888 -9.621) 16.052 13.380 ( 15.435 -3.797 5.817) 16.926 13.531 ( 7.926 -4.637 -8.159) 12.284 13.972 ( 6.166 -1.640 0.786) 6.429 13.997 ( 4.638 -3.896 -1.496) 6.240 14.960 ( -0.400 14.097 3.436) 14.515 15.017 ( -1.365 11.049 -2.588) 11.430 16.392 ( -2.491 -1.541 9.292) 9.743 16.517 ( -4.580 -4.707 -1.181) 6.673 16.694 ( 4.912 -4.768 3.465) 7.673 16.794 ( 4.455 -12.031 -4.960) 13.754 20.714 ( -0.525 -5.231 26.326) 26.846 21.172 ( 0.024 -7.266 -20.423) 21.677 26.751 ( -1.182 5.332 10.697) 12.011 26.918 ( -1.213 1.422 -5.717) 6.015 28.192 ( -4.171 -3.994 17.548) 18.473 28.561 ( -6.734 -1.773 -18.941) 20.181 30.573 ( 8.029 -2.712 2.870) 8.947 30.647 ( 12.307 -2.463 -4.825) 13.447 ======================= Grid point 628 (184/216) ======================= q-point: ( 0.27 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( 12.170 -10.128 10.420) 18.954 4.101 ( 4.742 -14.710 -6.846) 16.904 4.569 ( 3.473 -1.843 18.243) 18.661 4.813 ( -6.787 -9.348 -6.646) 13.327 5.649 ( 14.680 -6.887 -7.640) 17.925 5.752 ( 7.926 -16.064 -17.458) 25.013 7.392 ( 4.696 -21.958 19.374) 29.658 7.723 ( -0.993 -15.359 -13.481) 20.460 8.349 ( -4.719 16.142 10.864) 20.021 8.605 ( -2.684 13.898 -15.056) 20.665 9.149 ( 1.015 2.439 24.467) 24.609 9.711 ( 1.032 1.968 -28.952) 29.038 10.762 ( -15.449 14.452 11.232) 23.952 10.935 ( -15.105 17.913 -4.983) 23.955 11.610 ( -2.039 22.516 5.578) 23.287 11.764 ( -10.231 22.084 -9.598) 26.162 12.752 ( -8.269 -11.352 10.632) 17.615 12.986 ( -4.603 -10.185 -12.848) 17.029 13.553 ( 11.802 -1.006 5.536) 13.075 13.655 ( 6.278 -2.498 -3.965) 7.834 14.011 ( 2.992 1.190 5.406) 6.292 14.119 ( 7.136 -0.826 -5.889) 9.289 14.742 ( 1.265 11.329 6.076) 12.918 14.845 ( 0.879 8.213 -4.463) 9.389 16.360 ( -3.323 1.615 8.253) 9.043 16.496 ( -6.683 0.255 -5.208) 8.476 16.846 ( 3.640 -7.624 11.349) 14.148 17.038 ( 3.552 -11.446 -7.996) 14.407 20.816 ( 0.307 -6.530 27.997) 28.750 21.303 ( 0.518 -7.471 -21.738) 22.992 26.662 ( -1.051 3.652 14.857) 15.335 26.892 ( -0.640 0.472 -7.817) 7.857 28.207 ( -4.591 -2.851 14.071) 15.073 28.521 ( -5.898 -0.763 -16.508) 17.547 30.701 ( 7.846 -2.927 4.084) 9.318 30.804 ( 11.601 -1.822 -6.412) 13.380 ======================= Grid point 629 (185/216) ======================= q-point: ( 0.36 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.188 ( 11.167 -9.383 16.461) 21.993 4.413 ( 6.601 -14.657 -1.578) 16.152 4.650 ( 6.459 -2.255 7.472) 10.131 4.862 ( -4.872 -3.536 -10.777) 12.345 5.908 ( 6.472 -11.294 2.265) 13.213 6.080 ( 4.772 -14.102 -15.540) 21.520 7.638 ( -9.183 8.702 9.045) 15.551 7.719 ( -4.674 -4.795 1.297) 6.820 8.229 ( 1.642 -1.697 0.764) 2.482 8.386 ( 3.207 8.545 -14.894) 17.468 9.161 ( 2.093 -1.981 25.518) 25.680 9.713 ( 3.168 0.406 -26.239) 26.433 10.458 ( -8.324 7.799 5.731) 12.766 10.570 ( -8.785 11.080 -4.334) 14.789 11.238 ( -6.145 15.293 1.571) 16.556 11.321 ( -8.848 17.934 -6.810) 21.126 12.882 ( -3.706 -10.410 9.761) 14.743 13.088 ( -3.910 -6.154 -10.875) 13.093 13.650 ( 8.533 0.940 5.774) 10.346 13.749 ( 5.561 -1.750 -3.654) 6.880 13.992 ( 0.057 2.232 7.129) 7.470 14.138 ( 2.054 3.561 -7.277) 8.358 14.611 ( 2.737 6.684 8.630) 11.253 14.765 ( 3.539 4.179 -7.013) 8.898 16.292 ( -2.623 2.436 6.928) 7.799 16.410 ( -6.771 1.213 -4.879) 8.433 16.995 ( 2.171 -6.021 14.387) 15.747 17.232 ( 2.201 -7.870 -9.880) 12.821 20.924 ( 0.649 -5.239 28.550) 29.034 21.421 ( 0.645 -5.397 -22.094) 22.753 26.610 ( -0.596 1.684 17.873) 17.962 26.888 ( -0.163 -0.290 -9.470) 9.476 28.204 ( -3.534 -1.549 11.486) 12.116 28.477 ( -3.795 0.198 -14.887) 15.364 30.812 ( 5.504 -2.198 4.598) 7.501 30.923 ( 7.916 -0.939 -6.724) 10.428 ======================= Grid point 630 (186/216) ======================= q-point: ( 0.45 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( 3.419 -3.064 22.815) 23.272 4.660 ( 3.585 -5.867 3.290) 7.623 4.763 ( 6.342 -2.727 -2.851) 7.469 4.857 ( -3.226 -0.933 -14.369) 14.756 6.132 ( -1.550 -11.125 7.676) 13.605 6.262 ( 4.128 -0.866 -6.315) 7.594 7.349 ( -5.334 7.480 8.681) 12.639 7.668 ( -3.624 4.468 -20.618) 21.406 8.288 ( 2.345 -2.620 2.384) 4.248 8.366 ( 0.990 0.713 -4.306) 4.475 9.225 ( 1.009 -2.369 24.414) 24.549 9.741 ( 2.095 -0.079 -23.480) 23.574 10.334 ( -1.687 1.274 1.562) 2.628 10.382 ( -3.392 4.628 -2.275) 6.172 11.009 ( -4.213 5.059 -1.465) 6.744 11.040 ( -2.473 7.338 -4.532) 8.973 13.017 ( -0.294 -7.209 4.404) 8.453 13.103 ( -2.547 0.857 -4.064) 4.872 13.692 ( 3.748 0.965 7.052) 8.044 13.813 ( 2.369 -0.771 -3.494) 4.291 13.970 ( -0.011 -0.311 3.100) 3.116 14.073 ( -1.043 3.258 -5.197) 6.222 14.558 ( 1.451 2.285 10.086) 10.443 14.749 ( 1.972 1.418 -9.219) 9.533 16.242 ( -0.886 1.105 6.059) 6.222 16.346 ( -2.975 0.382 -4.036) 5.029 17.080 ( 0.720 -2.210 15.585) 15.758 17.338 ( 0.737 -2.776 -10.749) 11.126 20.992 ( 0.309 -1.975 28.584) 28.654 21.489 ( 0.282 -1.941 -22.040) 22.127 26.589 ( -0.178 0.423 19.461) 19.467 26.893 ( 0.002 -0.244 -10.312) 10.315 28.196 ( -1.328 -0.489 9.965) 10.065 28.447 ( -1.290 0.255 -14.009) 14.070 30.875 ( 1.955 -0.817 4.665) 5.124 30.985 ( 2.785 -0.261 -6.539) 7.112 ======================= Grid point 637 (187/216) ======================= q-point: ( 0.09 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( -0.915 0.000 2.177) 2.362 3.684 ( 0.358 -0.000 -11.648) 11.653 4.350 ( -2.818 0.000 8.851) 9.289 4.476 ( -2.694 0.000 7.669) 8.128 5.187 ( 22.732 -0.000 -5.570) 23.404 5.340 ( 24.671 -0.000 -11.087) 27.048 6.619 ( 5.056 -0.000 15.002) 15.832 6.996 ( 2.992 -0.000 -23.502) 23.691 8.929 ( -5.082 0.000 0.221) 5.087 8.965 ( -4.534 0.000 -3.673) 5.835 9.314 ( -3.219 0.000 23.869) 24.086 9.804 ( -3.212 0.000 -23.991) 24.205 11.712 ( -27.664 0.000 10.043) 29.431 11.802 ( -23.431 0.000 1.169) 23.460 12.320 ( -2.585 0.000 3.990) 4.754 12.387 ( -5.627 0.000 3.729) 6.750 12.709 ( 5.175 -0.000 4.656) 6.961 12.895 ( -3.625 0.000 -10.560) 11.165 13.190 ( 9.964 -0.000 3.281) 10.490 13.356 ( 10.407 -0.000 -11.226) 15.308 13.870 ( 5.544 -0.000 2.193) 5.962 13.931 ( 0.193 -0.000 -4.383) 4.387 15.267 ( -2.380 0.000 -0.024) 2.380 15.270 ( -3.048 0.000 -0.320) 3.064 16.293 ( -2.457 0.000 9.045) 9.373 16.407 ( -3.270 0.000 -2.055) 3.863 16.523 ( 6.946 -0.000 7.150) 9.969 16.659 ( 10.578 -0.000 -6.942) 12.653 20.621 ( -1.862 0.000 23.408) 23.482 21.026 ( -0.581 0.000 -17.712) 17.722 26.882 ( -1.010 0.000 4.076) 4.200 26.944 ( -3.937 0.000 -2.332) 4.576 28.096 ( -3.570 0.000 22.067) 22.354 28.514 ( -6.881 0.000 -19.945) 21.099 30.524 ( 8.652 -0.000 3.266) 9.248 30.609 ( 15.630 -0.000 -5.697) 16.636 ======================= Grid point 638 (188/216) ======================= q-point: ( 0.18 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( 1.080 -5.402 4.930) 7.392 3.737 ( 3.662 -5.003 -7.180) 9.487 4.409 ( 0.318 -7.055 4.946) 8.622 4.503 ( 0.352 -4.213 -0.483) 4.255 5.422 ( 22.028 -1.154 -0.135) 22.059 5.616 ( 26.891 -0.861 -13.902) 30.284 6.768 ( 7.671 -10.542 17.715) 21.996 7.141 ( 4.197 -12.484 -20.153) 24.075 8.794 ( -8.033 7.713 3.069) 11.552 8.888 ( -7.151 3.094 -6.414) 10.092 9.256 ( -3.261 2.320 23.235) 23.577 9.761 ( -3.843 0.781 -25.521) 25.821 11.297 ( -23.096 14.296 13.277) 30.233 11.490 ( -24.769 10.449 -4.977) 27.339 12.246 ( -6.312 2.448 9.555) 11.711 12.368 ( -13.602 -0.567 -0.123) 13.615 12.597 ( 2.508 15.175 -0.332) 15.385 12.730 ( -1.375 6.389 -11.513) 13.238 13.401 ( 9.828 -9.014 5.239) 14.328 13.529 ( 9.000 -6.466 -6.545) 12.870 13.956 ( 1.712 -3.455 0.607) 3.903 13.981 ( 6.475 -4.399 -2.172) 8.123 15.145 ( -4.146 9.498 0.886) 10.402 15.162 ( -3.357 8.145 -0.869) 8.853 16.322 ( -1.396 -4.616 9.384) 10.550 16.422 ( -1.063 -3.638 0.411) 3.812 16.647 ( 5.496 -6.200 4.010) 9.205 16.758 ( 10.279 0.828 -7.098) 12.519 20.630 ( -1.555 -3.332 25.181) 25.448 21.064 ( -0.366 -4.947 -18.993) 19.630 26.817 ( -3.040 4.492 6.340) 8.344 26.908 ( -3.589 -0.235 -2.729) 4.515 28.089 ( -3.766 -2.955 19.742) 20.314 28.466 ( -5.846 -1.594 -17.893) 18.891 30.630 ( 10.447 -1.115 5.948) 12.073 30.777 ( 17.489 -0.185 -9.459) 19.884 ======================= Grid point 639 (189/216) ======================= q-point: ( 0.27 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( 5.158 -12.322 9.696) 16.506 3.929 ( 7.578 -10.699 -1.383) 13.184 4.544 ( 4.343 -4.867 4.153) 7.732 4.622 ( 1.161 -8.796 -7.961) 11.920 5.648 ( 16.173 -3.675 0.288) 16.588 5.836 ( 20.947 2.078 -16.575) 26.793 7.109 ( 8.731 -18.559 19.106) 28.031 7.445 ( 2.473 -17.211 -14.754) 22.804 8.527 ( -10.114 12.732 8.388) 18.296 8.728 ( -7.747 6.726 -11.842) 15.668 9.189 ( -1.974 2.293 22.605) 22.807 9.715 ( -3.356 0.132 -27.636) 27.840 10.855 ( -15.630 14.415 12.551) 24.690 11.047 ( -19.032 14.830 -5.673) 24.786 11.929 ( -12.630 19.122 4.657) 23.384 12.059 ( -9.622 22.662 -7.607) 25.768 12.521 ( -1.384 -6.952 11.124) 13.190 12.774 ( -1.937 -8.505 -14.207) 16.672 13.614 ( 8.299 -5.493 4.485) 10.916 13.687 ( 8.110 -2.334 -2.257) 8.736 14.032 ( 2.218 -2.532 5.425) 6.385 14.140 ( 6.291 -4.933 -6.095) 10.053 14.920 ( -4.283 10.836 3.388) 12.134 14.975 ( -3.337 8.720 -2.309) 9.618 16.368 ( 0.465 -0.183 8.487) 8.502 16.464 ( -0.347 -0.724 0.008) 0.802 16.786 ( 4.189 -3.384 2.967) 6.149 16.876 ( 3.977 -8.649 -5.430) 10.960 20.706 ( -0.098 -6.396 27.215) 27.957 21.176 ( 0.428 -7.841 -20.726) 22.164 26.708 ( -3.462 4.014 11.471) 12.636 26.881 ( -2.579 -0.232 -5.788) 6.340 28.110 ( -3.408 -3.436 16.945) 17.623 28.449 ( -3.757 -1.663 -16.525) 17.029 30.750 ( 9.653 -1.222 7.770) 12.452 30.935 ( 15.509 0.915 -11.291) 19.205 ======================= Grid point 640 (190/216) ======================= q-point: ( 0.36 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( 6.203 -14.264 16.736) 22.848 4.224 ( 9.676 -13.780 5.007) 17.567 4.661 ( 6.112 -3.470 -0.491) 7.046 4.778 ( 3.534 -5.647 -14.178) 15.665 5.844 ( 8.686 -4.275 2.225) 9.933 6.003 ( 13.674 -3.871 -14.756) 20.486 7.477 ( 3.775 -15.134 11.494) 19.375 7.648 ( -6.985 -4.547 -4.990) 9.715 8.244 ( -6.131 6.790 10.946) 14.266 8.535 ( -4.893 7.848 -18.230) 20.442 9.149 ( -1.594 0.289 23.598) 23.654 9.698 ( -3.236 -1.889 -28.647) 28.891 10.539 ( -6.105 10.185 8.450) 14.574 10.664 ( -11.744 12.024 -3.346) 17.138 11.487 ( -8.385 19.415 1.428) 21.197 11.573 ( -8.121 21.972 -6.805) 24.394 12.670 ( -1.000 -10.847 11.082) 15.539 12.908 ( -3.329 -9.585 -12.834) 16.360 13.751 ( 8.086 -1.286 2.826) 8.662 13.783 ( 6.504 -1.218 0.036) 6.617 14.046 ( 0.886 3.043 8.463) 9.037 14.214 ( 2.454 1.955 -8.783) 9.326 14.729 ( -3.428 6.931 6.725) 10.248 14.838 ( -2.457 3.791 -4.368) 6.284 16.343 ( 1.653 3.492 5.216) 6.491 16.416 ( -0.476 5.096 -1.833) 5.437 16.894 ( 1.084 -6.528 10.278) 12.224 17.077 ( 0.381 -11.288 -8.054) 13.873 20.829 ( 1.060 -6.951 28.278) 29.139 21.319 ( 1.057 -7.600 -21.689) 23.007 26.626 ( -2.715 2.010 15.669) 16.029 26.870 ( -1.692 -0.923 -8.534) 8.749 28.135 ( -2.293 -2.786 14.548) 14.988 28.443 ( -1.692 -0.756 -15.665) 15.774 30.847 ( 6.865 -0.498 8.340) 10.814 31.038 ( 11.464 2.513 -11.214) 16.233 ======================= Grid point 641 (191/216) ======================= q-point: ( 0.45 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.331 ( 3.225 -6.372 23.682) 24.735 4.538 ( 5.151 -12.002 8.718) 15.703 4.778 ( 5.848 -2.529 -7.552) 9.881 4.873 ( 6.854 -0.437 -17.186) 18.508 5.971 ( 2.490 -6.147 10.768) 12.646 6.229 ( 7.669 -8.328 -16.243) 19.799 7.442 ( -9.587 10.845 11.271) 18.345 7.651 ( -2.273 -2.767 -7.936) 8.706 8.221 ( -2.949 -5.141 4.477) 7.428 8.403 ( -1.829 3.569 -13.751) 14.324 9.148 ( -3.722 -3.046 24.052) 24.529 9.709 ( -4.162 -3.253 -29.192) 29.667 10.380 ( -0.076 6.093 4.328) 7.474 10.426 ( -5.658 5.605 0.034) 7.965 11.137 ( -3.206 14.377 1.721) 14.830 11.231 ( 1.354 13.573 -7.478) 15.556 12.852 ( 0.091 -10.857 7.936) 13.448 13.019 ( -2.840 -6.810 -8.719) 11.422 13.806 ( 6.759 4.019 4.453) 9.037 13.854 ( 4.761 0.093 0.255) 4.768 13.982 ( -0.354 2.450 6.446) 6.905 14.141 ( -1.081 5.915 -8.512) 10.421 14.605 ( -3.988 4.128 9.530) 11.125 14.775 ( -3.187 1.570 -7.600) 8.390 16.296 ( 2.294 4.553 3.123) 5.979 16.343 ( 1.101 1.900 -1.268) 2.536 17.005 ( -1.109 -6.021 14.011) 15.290 17.241 ( -1.311 -8.170 -9.939) 12.933 20.943 ( 1.247 -4.757 28.526) 28.947 21.438 ( 1.054 -4.918 -21.914) 22.484 26.585 ( -1.866 0.284 18.444) 18.540 26.876 ( -1.056 -1.224 -10.220) 10.347 28.163 ( -0.487 -2.167 12.258) 12.458 28.443 ( 0.251 -0.119 -14.877) 14.880 30.894 ( 2.980 0.690 7.904) 8.475 31.070 ( 6.637 4.010 -10.056) 12.699 ======================= Grid point 642 (192/216) ======================= q-point: ( 0.55 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.379 ( -1.804 1.329 22.565) 22.676 4.661 ( -1.988 -1.452 9.961) 10.261 4.794 ( -1.126 4.939 -12.090) 13.109 4.939 ( 7.501 1.587 -12.976) 15.072 6.146 ( 3.514 -10.164 11.280) 15.585 6.324 ( 1.314 4.971 -5.401) 7.457 7.294 ( -0.126 -2.094 7.162) 7.463 7.622 ( -1.040 -0.175 -22.595) 22.620 8.275 ( -3.599 -3.085 2.736) 5.473 8.344 ( -3.070 1.383 -2.986) 4.500 9.164 ( -6.289 -4.018 23.526) 24.681 9.706 ( -5.121 -1.069 -27.267) 27.764 10.312 ( -1.771 -0.553 3.707) 4.145 10.373 ( 2.433 -0.085 -1.960) 3.126 10.989 ( 3.334 2.244 3.840) 5.559 11.124 ( 9.321 6.106 -9.286) 14.505 13.015 ( -0.418 -7.056 3.536) 7.903 13.083 ( 0.722 -2.865 -3.040) 4.239 13.734 ( 0.824 6.945 8.278) 10.837 13.859 ( 2.528 3.962 -2.373) 5.265 13.981 ( 0.852 0.227 0.948) 1.295 14.057 ( -0.214 1.240 -4.145) 4.332 14.510 ( -5.988 0.926 9.846) 11.561 14.706 ( -6.151 0.971 -9.757) 11.575 16.264 ( 2.947 1.505 6.346) 7.157 16.371 ( 5.097 -0.964 -4.186) 6.666 17.062 ( -2.480 -2.470 15.423) 15.816 17.319 ( -2.566 -3.088 -10.763) 11.488 21.003 ( 0.740 -1.024 28.499) 28.527 21.498 ( 0.577 -1.133 -21.922) 21.959 26.575 ( -1.213 -0.676 19.703) 19.752 26.885 ( -0.767 -0.768 -10.750) 10.805 28.201 ( 1.598 -1.629 10.398) 10.645 28.458 ( 2.158 -0.455 -14.269) 14.438 30.880 ( -1.111 2.038 6.930) 7.308 31.033 ( 1.824 5.158 -8.601) 10.194 ======================= Grid point 643 (193/216) ======================= q-point: (-0.36 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.244 ( -8.291 8.771 18.064) 21.725 4.578 ( -3.920 10.511 0.648) 11.237 4.636 ( -5.154 4.084 2.489) 7.032 4.967 ( 6.250 2.186 -13.463) 15.004 6.090 ( -5.948 15.667 8.295) 18.698 6.273 ( 4.827 5.809 -7.481) 10.630 7.478 ( 7.321 -14.595 6.893) 17.724 7.755 ( 5.096 -10.766 -18.037) 21.615 8.196 ( -6.504 3.493 4.256) 8.521 8.307 ( -4.718 0.948 -4.920) 6.882 9.146 ( -5.541 -0.582 24.075) 24.712 9.656 ( -5.241 -0.153 -23.139) 23.725 10.391 ( 3.245 -7.967 3.453) 9.270 10.471 ( 5.029 -7.639 -4.257) 10.088 11.121 ( 7.742 -9.695 -0.440) 12.415 11.187 ( 9.274 -3.640 -6.432) 11.858 13.040 ( 1.774 3.007 6.052) 6.987 13.149 ( 1.219 -1.554 -4.883) 5.267 13.627 ( -1.701 5.168 7.768) 9.483 13.777 ( -0.316 5.791 -6.336) 8.590 13.974 ( -0.521 0.419 4.673) 4.720 14.072 ( -1.532 -1.894 -3.386) 4.171 14.477 ( -5.577 -4.000 7.897) 10.463 14.648 ( -7.272 -2.789 -8.962) 11.873 16.302 ( 4.793 -1.159 9.171) 10.412 16.459 ( 7.506 -1.835 -6.622) 10.176 17.037 ( -3.417 2.021 15.452) 15.954 17.293 ( -3.585 2.605 -10.655) 11.540 20.991 ( 0.114 2.835 28.512) 28.653 21.487 ( 0.029 2.686 -22.044) 22.207 26.583 ( -0.692 -1.398 19.370) 19.433 26.886 ( -0.603 -0.213 -10.353) 10.373 28.245 ( 3.214 -0.700 10.041) 10.566 28.503 ( 3.923 -1.302 -14.604) 15.177 30.806 ( -4.514 3.280 5.823) 8.065 30.935 ( -2.269 5.928 -7.253) 9.639 ======================= Grid point 644 (194/216) ======================= q-point: (-0.27 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.964 ( -9.920 11.900 15.110) 21.641 4.307 ( -4.154 14.618 -15.113) 21.432 4.558 ( -2.923 1.581 23.606) 23.839 4.997 ( 7.683 2.478 -15.709) 17.662 5.720 ( -10.359 17.514 9.018) 22.257 6.059 ( 0.651 20.258 -21.417) 29.487 7.724 ( 1.012 17.242 14.678) 22.667 7.868 ( 9.098 -10.500 2.331) 14.088 8.165 ( -5.186 0.754 -2.430) 5.777 8.318 ( -2.624 -18.938 -15.464) 24.590 9.105 ( -2.735 -0.496 24.753) 24.908 9.640 ( -3.288 -3.053 -25.029) 25.428 10.639 ( 8.350 -14.593 5.427) 17.667 10.744 ( 8.027 -17.269 -4.517) 19.572 11.337 ( 3.325 -10.853 5.113) 12.449 11.499 ( 8.137 -19.608 -10.412) 23.645 12.994 ( 6.917 6.583 7.542) 12.168 13.133 ( -0.016 3.484 -6.501) 7.376 13.507 ( -5.771 5.612 7.428) 10.953 13.679 ( -0.322 5.501 -8.724) 10.318 13.957 ( -3.832 -0.936 5.605) 6.854 14.059 ( -5.088 -0.193 -3.962) 6.451 14.542 ( -3.352 -8.970 7.162) 11.958 14.684 ( -3.617 -7.810 -6.955) 11.066 16.380 ( 5.296 -1.632 10.608) 11.969 16.563 ( 7.745 -1.140 -7.937) 11.148 16.931 ( -3.815 6.093 14.248) 15.958 17.165 ( -4.206 7.882 -9.587) 13.104 20.917 ( -0.159 5.541 28.415) 28.951 21.413 ( -0.236 5.746 -22.141) 22.875 26.612 ( -0.205 -2.660 17.556) 17.757 26.885 ( -0.300 -0.382 -9.284) 9.296 28.280 ( 3.599 0.726 11.742) 12.303 28.571 ( 4.944 -1.370 -16.429) 17.212 30.689 ( -6.246 4.065 4.785) 8.856 30.796 ( -4.670 6.325 -5.975) 9.875 ======================= Grid point 645 (195/216) ======================= q-point: (-0.18 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( -5.363 8.310 11.883) 15.460 4.034 ( -1.903 13.568 -17.585) 22.292 4.524 ( -1.160 0.131 31.080) 31.102 5.014 ( 13.112 8.623 -9.586) 18.390 5.326 ( -16.521 12.297 -1.946) 20.687 5.672 ( -1.775 23.377 -25.542) 34.670 7.319 ( -2.202 25.238 22.554) 33.919 7.718 ( -0.647 21.401 -17.366) 27.568 8.417 ( 1.963 -20.674 10.113) 23.098 8.643 ( 1.080 -16.902 -12.622) 21.122 9.129 ( -0.716 -4.128 24.370) 24.728 9.689 ( -0.742 -4.667 -28.881) 29.265 11.042 ( 10.043 -22.031 9.841) 26.136 11.193 ( 9.908 -24.400 -4.631) 26.739 11.554 ( -5.926 -15.203 15.874) 22.765 11.916 ( 4.401 -20.640 -18.589) 28.123 12.972 ( 11.770 6.522 6.133) 14.787 13.065 ( 3.511 5.489 -3.593) 7.440 13.311 ( -12.439 6.989 9.103) 16.924 13.568 ( -2.048 6.743 -15.296) 16.841 13.927 ( -4.709 -0.164 4.872) 6.778 13.999 ( -3.247 1.375 -2.258) 4.187 14.714 ( -0.998 -13.530 6.490) 15.039 14.829 ( -0.447 -11.157 -5.377) 12.393 16.439 ( 3.419 0.173 11.037) 11.556 16.629 ( 5.441 1.460 -7.927) 9.725 16.771 ( -3.250 8.288 11.433) 14.490 16.957 ( -3.645 11.539 -7.436) 14.203 20.814 ( -0.004 6.153 27.668) 28.344 21.297 ( -0.129 7.348 -21.689) 22.900 26.672 ( 0.130 -4.493 14.500) 15.181 26.898 ( 0.068 -1.314 -7.710) 7.821 28.283 ( 2.424 2.535 14.880) 15.288 28.631 ( 3.945 -0.197 -19.276) 19.677 30.562 ( -5.106 4.002 3.833) 7.535 30.644 ( -4.092 6.089 -4.504) 8.608 ======================= Grid point 646 (196/216) ======================= q-point: (-0.09 0.09 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 0.000 2.207 5.648) 6.064 3.824 ( 0.000 9.903 -14.000) 17.148 4.528 ( -0.000 -0.920 33.643) 33.655 4.833 ( 0.000 20.109 13.892) 24.441 5.124 ( 0.000 1.280 -26.130) 26.162 5.280 ( 0.000 20.204 -26.953) 33.685 6.910 ( 0.000 20.203 22.582) 30.300 7.346 ( 0.000 20.189 -21.473) 29.473 8.725 ( -0.000 -14.062 6.436) 15.465 8.875 ( -0.000 -9.782 -8.835) 13.181 9.215 ( -0.000 -5.856 24.402) 25.095 9.765 ( -0.000 -4.163 -28.923) 29.221 11.533 ( -0.000 -26.996 11.599) 29.382 11.712 ( -0.000 -26.548 -6.612) 27.358 11.725 ( -0.000 -12.905 25.094) 28.218 12.228 ( -0.000 -12.820 -24.546) 27.692 12.957 ( 0.000 5.960 6.200) 8.600 13.041 ( 0.000 8.550 16.157) 18.280 13.066 ( 0.000 2.394 -4.957) 5.505 13.421 ( 0.000 7.976 -21.047) 22.508 13.880 ( 0.000 2.316 5.581) 6.042 13.965 ( 0.000 1.246 -3.153) 3.390 14.960 ( -0.000 -15.213 4.076) 15.750 15.030 ( -0.000 -12.090 -3.258) 12.522 16.428 ( 0.000 2.933 10.687) 11.082 16.603 ( 0.000 8.443 8.821) 12.211 16.614 ( 0.000 3.836 -8.063) 8.929 16.733 ( 0.000 11.834 -4.448) 12.642 20.720 ( 0.000 4.710 25.873) 26.298 21.172 ( 0.000 7.024 -20.259) 21.442 26.761 ( -0.000 -5.683 10.558) 11.990 26.929 ( -0.000 -2.127 -5.933) 6.303 28.238 ( 0.000 4.040 18.489) 18.925 28.642 ( 0.000 1.356 -21.652) 21.695 30.474 ( 0.000 2.885 2.655) 3.921 30.528 ( 0.000 4.728 -2.854) 5.522 ======================= Grid point 649 (197/216) ======================= q-point: ( 0.18 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( -1.374 0.000 9.555) 9.653 3.738 ( 5.851 -0.000 -8.559) 10.368 4.382 ( 6.803 -0.000 0.563) 6.826 4.495 ( 4.381 -0.000 -7.720) 8.877 5.672 ( 25.846 -0.000 7.257) 26.846 5.892 ( 30.125 -0.000 -10.554) 31.920 6.761 ( 9.287 -0.000 13.682) 16.537 7.062 ( 3.036 -0.000 -17.205) 17.471 8.771 ( -11.499 0.000 0.364) 11.505 8.819 ( -10.776 0.000 -5.056) 11.904 9.231 ( -4.946 0.000 23.154) 23.676 9.721 ( -5.148 0.000 -24.197) 24.738 11.213 ( -21.836 0.000 9.000) 23.618 11.331 ( -23.093 0.000 -2.537) 23.232 12.174 ( -10.477 0.000 0.370) 10.484 12.174 ( -12.649 0.000 3.604) 13.153 12.809 ( 2.545 -0.000 -1.579) 2.995 12.862 ( -1.693 0.000 -4.885) 5.170 13.363 ( 7.650 -0.000 5.567) 9.461 13.498 ( 3.972 -0.000 -7.690) 8.656 13.947 ( 1.687 -0.000 2.054) 2.658 13.991 ( 6.025 -0.000 -2.524) 6.532 15.182 ( -5.990 0.000 0.403) 6.003 15.193 ( -5.355 0.000 -0.696) 5.400 16.261 ( -0.723 0.000 8.959) 8.988 16.360 ( -1.778 0.000 -0.997) 2.039 16.683 ( 9.271 -0.000 10.463) 13.979 16.899 ( 13.723 -0.000 -11.492) 17.899 20.582 ( -1.796 0.000 25.373) 25.436 21.014 ( -0.469 0.000 -18.667) 18.673 26.831 ( -7.405 0.000 2.726) 7.891 26.845 ( -2.778 0.000 1.141) 3.003 28.035 ( -1.961 0.000 20.272) 20.367 28.409 ( -2.810 0.000 -17.274) 17.501 30.730 ( 11.571 -0.000 9.437) 14.932 30.954 ( 18.147 -0.000 -13.765) 22.777 ======================= Grid point 650 (198/216) ======================= q-point: ( 0.27 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( -0.920 -8.854 15.165) 17.584 3.872 ( 10.051 -6.928 -7.284) 14.216 4.520 ( 10.746 -5.011 -4.701) 12.755 4.571 ( 7.068 -2.291 -8.996) 11.668 5.866 ( 22.691 4.692 9.931) 25.209 6.128 ( 24.081 5.496 -14.672) 28.729 6.949 ( 10.519 -10.871 14.796) 21.160 7.207 ( 1.584 -12.971 -11.757) 17.578 8.576 ( -14.303 7.083 3.196) 16.278 8.693 ( -12.782 1.425 -8.534) 15.435 9.179 ( -4.634 0.435 21.878) 22.367 9.668 ( -5.716 -0.090 -24.836) 25.485 10.930 ( -13.290 10.366 8.443) 18.851 11.064 ( -17.457 7.832 -4.452) 19.644 11.988 ( -14.211 5.922 7.469) 17.112 12.130 ( -11.894 -0.596 -5.255) 13.016 12.631 ( 0.215 15.347 1.760) 15.449 12.741 ( -0.732 5.533 -8.339) 10.035 13.534 ( 4.507 -9.713 6.233) 12.390 13.661 ( 4.390 -9.785 -6.316) 12.446 13.987 ( 2.223 -2.944 6.167) 7.186 14.094 ( 4.428 -5.251 -5.189) 8.609 15.031 ( -7.379 8.897 1.983) 11.728 15.067 ( -6.484 7.177 -1.752) 9.829 16.314 ( 0.384 -5.589 9.577) 11.095 16.416 ( 0.221 -6.162 -0.510) 6.187 16.767 ( 6.761 -0.251 9.309) 11.508 16.977 ( 11.799 5.868 -11.711) 17.629 20.608 ( -0.549 -4.474 26.601) 26.980 21.061 ( 0.151 -5.555 -19.637) 20.409 26.722 ( -6.401 3.045 8.143) 10.796 26.833 ( -3.994 -1.398 -3.095) 5.243 28.043 ( -0.629 -1.958 19.327) 19.436 28.406 ( -0.226 -0.971 -17.022) 17.051 30.841 ( 10.575 -0.010 11.841) 15.876 31.111 ( 15.855 1.340 -15.987) 22.555 ======================= Grid point 651 (199/216) ======================= q-point: ( 0.36 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.835 ( -0.622 -16.549 21.452) 27.101 4.149 ( 13.618 -11.204 -2.352) 17.791 4.665 ( 6.641 -2.854 -9.620) 12.033 4.756 ( 13.875 -5.447 -11.934) 19.095 5.973 ( 16.180 4.736 8.880) 19.055 6.178 ( 12.926 7.736 -11.783) 19.125 7.281 ( 8.671 -14.789 10.275) 19.987 7.439 ( -3.583 -12.623 -5.581) 14.260 8.293 ( -13.419 8.873 9.070) 18.468 8.539 ( -11.564 2.378 -15.221) 19.263 9.128 ( -4.421 0.413 20.516) 20.991 9.618 ( -6.578 -1.172 -25.676) 26.531 10.662 ( -4.980 10.164 6.512) 13.058 10.764 ( -8.711 11.718 -3.618) 15.043 11.683 ( -9.791 14.116 6.210) 18.267 11.857 ( -8.908 18.229 -10.446) 22.820 12.537 ( 0.745 -3.439 9.342) 9.983 12.739 ( -2.654 -6.040 -10.949) 12.783 13.723 ( 3.525 -7.616 5.638) 10.110 13.817 ( 4.637 -3.381 -3.445) 6.693 14.071 ( 2.215 -2.669 7.995) 8.715 14.218 ( 2.216 -4.225 -7.285) 8.708 14.792 ( -8.565 8.750 4.651) 13.098 14.871 ( -7.417 6.663 -3.448) 10.550 16.411 ( 3.502 -1.741 9.570) 10.338 16.500 ( 3.545 -0.154 1.526) 3.862 16.840 ( 1.280 -3.769 3.311) 5.177 16.960 ( 4.801 2.942 -8.313) 10.041 20.715 ( 0.993 -7.427 27.702) 28.697 21.190 ( 1.017 -8.435 -20.809) 22.477 26.622 ( -4.943 1.928 13.073) 14.108 26.822 ( -3.247 -1.743 -7.042) 7.948 28.079 ( 0.167 -2.384 17.867) 18.026 28.427 ( 1.197 -0.759 -16.816) 16.875 30.925 ( 7.934 0.920 12.787) 15.077 31.207 ( 12.020 3.445 -16.111) 20.394 ======================= Grid point 652 (200/216) ======================= q-point: ( 0.45 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( -1.085 -17.489 25.514) 30.951 4.460 ( 12.770 -8.289 8.079) 17.235 4.780 ( 5.889 -3.740 -14.998) 16.542 4.953 ( 13.505 -1.258 -17.226) 21.925 6.001 ( 5.755 4.179 10.532) 12.709 6.205 ( 6.730 -1.103 -11.099) 13.027 7.475 ( -8.560 1.997 6.256) 10.789 7.557 ( 4.532 -9.021 -0.877) 10.134 8.100 ( -9.234 -0.691 10.201) 13.777 8.402 ( -8.701 1.643 -18.978) 20.942 9.079 ( -5.254 -0.240 20.003) 20.683 9.587 ( -7.220 -3.266 -27.723) 28.833 10.474 ( -5.858 7.684 4.579) 10.692 10.528 ( 0.436 9.990 -1.161) 10.066 11.378 ( -1.540 15.357 3.462) 15.818 11.505 ( 2.288 16.159 -8.579) 18.438 12.672 ( 0.295 -10.412 8.533) 13.465 12.849 ( -3.046 -9.382 -9.152) 13.456 13.856 ( 3.010 -4.126 3.803) 6.368 13.893 ( 4.223 -1.209 0.379) 4.409 14.068 ( 2.004 5.523 8.036) 9.954 14.234 ( 0.452 4.278 -8.521) 9.545 14.602 ( -9.108 3.533 7.305) 12.198 14.731 ( -8.331 0.785 -5.683) 10.116 16.408 ( 4.896 5.729 6.435) 9.909 16.488 ( 6.788 7.081 -0.517) 9.823 16.888 ( -1.567 -4.078 7.757) 8.903 17.054 ( -2.660 -10.397 -8.052) 13.417 20.856 ( 1.626 -7.110 28.215) 29.142 21.343 ( 1.352 -7.628 -21.439) 22.796 26.564 ( -3.332 0.259 16.722) 17.053 26.831 ( -2.159 -2.246 -9.854) 10.334 28.124 ( 0.907 -2.388 15.867) 16.071 28.450 ( 1.938 -0.194 -16.335) 16.451 30.958 ( 4.436 2.363 12.493) 13.466 31.226 ( 7.711 5.595 -14.868) 17.659 ======================= Grid point 653 (201/216) ======================= q-point: ( 0.55 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.338 ( -1.424 -6.906 24.187) 25.194 4.630 ( 5.176 -1.846 12.150) 13.335 4.861 ( 1.829 1.500 -13.876) 14.077 5.054 ( 10.042 2.579 -16.511) 19.496 6.037 ( 3.795 -5.716 13.372) 15.030 6.314 ( 0.796 -5.476 -13.435) 14.531 7.309 ( -3.308 6.034 14.587) 16.128 7.655 ( 2.925 1.823 -17.569) 17.904 8.103 ( -8.944 -8.649 9.304) 15.536 8.323 ( -5.800 -0.188 -12.315) 13.614 9.043 ( -5.978 -2.189 20.321) 21.295 9.589 ( -6.641 -4.752 -30.989) 32.047 10.307 ( -4.836 3.981 7.020) 9.408 10.422 ( 0.987 4.161 -4.230) 6.015 11.158 ( 5.190 11.581 8.427) 15.234 11.364 ( 10.546 9.828 -11.637) 18.526 12.859 ( -0.127 -10.580 6.323) 12.326 12.982 ( -0.927 -8.435 -5.933) 10.354 13.882 ( 1.772 5.761 8.467) 10.393 13.940 ( 3.899 0.911 1.796) 4.388 14.001 ( 2.116 1.464 2.433) 3.542 14.124 ( 0.069 7.012 -7.705) 10.418 14.467 ( -9.185 2.431 8.749) 12.916 14.647 ( -9.225 0.279 -8.943) 12.851 16.353 ( 3.933 4.984 6.057) 8.775 16.449 ( 7.745 4.264 -3.563) 9.532 16.957 ( -3.661 -5.998 13.490) 15.210 17.189 ( -3.593 -8.395 -9.967) 13.518 20.969 ( 1.327 -4.225 28.311) 28.655 21.459 ( 1.051 -4.454 -21.625) 22.103 26.545 ( -2.039 -0.902 19.063) 19.193 26.851 ( -1.297 -2.016 -11.265) 11.517 28.179 ( 1.686 -2.592 13.273) 13.628 28.474 ( 2.440 -0.252 -15.522) 15.715 30.930 ( 0.919 3.895 11.404) 12.086 31.170 ( 3.654 7.356 -13.020) 15.394 ======================= Grid point 654 (202/216) ======================= q-point: (-0.36 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( -3.322 5.880 19.904) 21.018 4.645 ( 0.523 2.927 9.986) 10.420 4.742 ( -3.652 9.592 -6.815) 12.320 5.068 ( 5.210 3.737 -16.551) 17.749 6.218 ( 1.621 -2.125 10.133) 10.480 6.339 ( 1.921 -0.026 0.392) 1.961 7.329 ( 2.768 -9.206 2.778) 10.007 7.626 ( 1.242 -0.950 -24.101) 24.151 8.172 ( -5.875 -5.546 6.377) 10.293 8.265 ( -4.221 1.616 -1.952) 4.923 9.042 ( -5.128 -3.939 21.764) 22.704 9.598 ( -4.714 -2.171 -29.909) 30.356 10.281 ( -1.230 -4.718 7.493) 8.939 10.416 ( 1.468 -2.559 -6.191) 6.858 11.105 ( 6.697 0.995 8.704) 11.028 11.328 ( 9.641 6.684 -13.164) 17.633 12.999 ( -1.084 -6.381 5.835) 8.715 13.102 ( 0.516 -5.148 -4.491) 6.851 13.769 ( 3.702 8.739 9.940) 13.744 13.907 ( 2.217 6.394 -1.100) 6.856 13.996 ( -0.192 2.231 1.177) 2.529 14.055 ( 0.165 1.621 -2.741) 3.189 14.370 ( -6.890 -1.470 6.385) 9.508 14.545 ( -9.021 0.061 -10.297) 13.689 16.341 ( 4.094 0.895 9.155) 10.068 16.496 ( 6.490 -1.069 -6.693) 9.384 16.997 ( -3.648 -2.623 15.364) 16.008 17.254 ( -3.500 -3.069 -10.767) 11.730 21.018 ( 0.644 -0.292 28.323) 28.332 21.509 ( 0.487 -0.520 -21.755) 21.766 26.550 ( -1.106 -1.413 19.965) 20.046 26.869 ( -0.759 -1.120 -11.353) 11.433 28.242 ( 2.150 -2.554 10.949) 11.447 28.511 ( 2.721 -1.314 -14.953) 15.255 30.848 ( -1.709 5.171 9.931) 11.326 31.054 ( 0.494 8.503 -11.022) 13.930 ======================= Grid point 655 (203/216) ======================= q-point: (-0.27 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( -4.258 13.000 18.056) 22.653 4.509 ( -2.377 12.548 -19.859) 23.611 4.586 ( -0.759 4.138 25.044) 25.395 5.064 ( 2.964 0.868 -20.714) 20.943 5.989 ( -3.232 19.418 19.343) 27.598 6.355 ( 2.569 9.982 -15.067) 18.255 7.600 ( 4.147 -19.075 4.905) 20.127 7.851 ( 4.046 -19.400 -17.278) 26.292 8.068 ( -5.358 9.157 8.009) 13.293 8.217 ( -3.281 2.634 -4.675) 6.290 9.062 ( -2.452 -2.293 23.398) 23.638 9.578 ( -2.240 -0.609 -24.362) 24.472 10.438 ( 1.343 -13.286 5.835) 14.573 10.547 ( 2.219 -10.925 -5.181) 12.293 11.254 ( 4.354 -10.226 -0.665) 11.134 11.331 ( 4.381 -0.983 -7.550) 8.784 13.061 ( 0.113 -1.843 5.163) 5.483 13.146 ( -0.578 -0.387 -3.450) 3.519 13.643 ( 2.317 11.126 9.223) 14.636 13.824 ( 4.447 6.851 -4.858) 9.503 13.917 ( -4.974 2.019 4.168) 6.796 14.030 ( -1.894 1.173 -3.838) 4.438 14.386 ( -3.081 -5.731 5.223) 8.343 14.527 ( -3.697 -5.976 -8.207) 10.804 16.390 ( 3.120 -1.975 11.482) 12.061 16.588 ( 4.413 -2.809 -8.700) 10.152 16.971 ( -2.525 2.122 15.372) 15.722 17.224 ( -2.572 3.009 -10.488) 11.210 20.994 ( 0.120 3.337 28.401) 28.596 21.488 ( 0.065 3.129 -22.002) 22.223 26.570 ( -0.422 -1.892 19.372) 19.469 26.876 ( -0.349 -0.439 -10.560) 10.575 28.298 ( 1.681 -1.551 10.472) 10.719 28.570 ( 2.243 -2.560 -15.716) 16.080 30.732 ( -2.380 5.850 8.299) 10.429 30.902 ( -1.001 8.851 -8.987) 12.653 ======================= Grid point 656 (204/216) ======================= q-point: (-0.18 0.18 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( 0.000 12.548 16.517) 20.742 4.264 ( 0.000 14.432 -22.071) 26.371 4.531 ( 0.000 1.821 30.347) 30.401 5.093 ( -0.000 -1.789 -25.860) 25.921 5.597 ( 0.000 23.440 20.686) 31.262 6.068 ( 0.000 22.494 -25.155) 33.745 7.729 ( 0.000 22.687 18.112) 29.030 8.024 ( -0.000 -25.497 10.978) 27.759 8.044 ( 0.000 15.381 -12.906) 20.079 8.295 ( -0.000 -23.987 -15.760) 28.701 9.076 ( -0.000 -1.535 24.244) 24.293 9.606 ( -0.000 -3.930 -25.059) 25.365 10.727 ( -0.000 -19.053 5.880) 19.940 10.832 ( -0.000 -21.044 -4.765) 21.576 11.365 ( -0.000 -6.026 7.737) 9.807 11.587 ( -0.000 -20.080 -13.230) 24.047 13.071 ( 0.000 0.904 3.570) 3.683 13.131 ( 0.000 1.445 -2.323) 2.736 13.439 ( 0.000 12.783 10.899) 16.798 13.710 ( 0.000 9.292 -15.294) 17.895 13.889 ( -0.000 -1.190 8.000) 8.088 13.998 ( 0.000 0.823 -3.377) 3.476 14.506 ( -0.000 -10.081 7.215) 12.397 14.648 ( -0.000 -9.520 -7.070) 11.859 16.443 ( -0.000 -1.810 12.078) 12.213 16.653 ( -0.000 -1.637 -9.266) 9.409 16.884 ( 0.000 6.349 14.017) 15.388 17.111 ( 0.000 8.390 -9.229) 12.473 20.916 ( 0.000 5.640 28.330) 28.886 21.410 ( 0.000 5.873 -22.139) 22.904 26.609 ( -0.000 -2.976 17.466) 17.717 26.882 ( -0.000 -0.607 -9.300) 9.320 28.319 ( 0.000 0.300 12.207) 12.211 28.627 ( -0.000 -2.290 -17.776) 17.923 30.620 ( 0.000 5.514 6.396) 8.444 30.749 ( 0.000 8.133 -6.788) 10.594 ======================= Grid point 661 (205/216) ======================= q-point: ( 0.27 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.530 ( -1.762 0.000 19.964) 20.042 3.908 ( 10.765 -0.000 -14.023) 17.679 4.621 ( 17.689 -0.000 -4.711) 18.306 4.642 ( 11.140 -0.000 -9.344) 14.540 6.145 ( 21.878 -0.000 13.491) 25.703 6.429 ( 22.824 -0.000 -13.360) 26.447 6.962 ( 11.208 -0.000 7.930) 13.730 7.067 ( -3.736 0.000 -4.083) 5.534 8.486 ( -17.239 0.000 -0.224) 17.241 8.557 ( -15.243 0.000 -7.931) 17.183 9.130 ( -5.491 0.000 21.759) 22.441 9.607 ( -6.683 0.000 -23.917) 24.834 10.932 ( -6.094 0.000 3.155) 6.863 10.974 ( -12.425 0.000 -0.564) 12.438 11.952 ( -9.560 0.000 2.663) 9.924 11.970 ( -9.525 0.000 -0.967) 9.574 12.773 ( -8.388 0.000 -1.809) 8.581 12.777 ( -6.049 0.000 -3.356) 6.918 13.493 ( 5.906 -0.000 1.441) 6.080 13.533 ( 0.649 -0.000 -2.378) 2.465 13.999 ( 3.448 -0.000 4.756) 5.874 14.085 ( 3.654 -0.000 -4.049) 5.454 15.043 ( -8.089 0.000 1.028) 8.154 15.063 ( -7.760 0.000 -1.005) 7.825 16.261 ( 0.415 -0.000 7.803) 7.814 16.333 ( -1.121 0.000 0.212) 1.141 16.869 ( 9.484 -0.000 14.465) 17.297 17.164 ( 12.855 -0.000 -15.225) 19.926 20.562 ( -0.130 0.000 26.551) 26.551 21.011 ( 0.226 -0.000 -19.256) 19.257 26.678 ( -7.798 0.000 7.800) 11.029 26.778 ( -3.875 0.000 -2.556) 4.642 28.032 ( 1.473 -0.000 20.310) 20.363 28.409 ( 2.305 -0.000 -17.613) 17.763 30.942 ( 9.798 -0.000 14.798) 17.748 31.270 ( 13.883 -0.000 -18.808) 23.377 ======================= Grid point 662 (206/216) ======================= q-point: ( 0.36 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( -1.634 -9.616 25.327) 27.140 4.091 ( 10.969 -8.871 -18.473) 23.243 4.750 ( 14.381 1.415 -3.797) 14.941 4.856 ( 20.963 -3.411 -9.199) 23.146 6.253 ( 14.849 7.913 12.261) 20.820 6.466 ( 8.678 12.221 -9.118) 17.544 7.136 ( 1.638 -11.808 5.461) 13.112 7.200 ( 5.448 -11.871 -1.129) 13.110 8.267 ( -16.280 5.139 2.537) 17.259 8.419 ( -14.405 -0.554 -12.030) 18.776 9.078 ( -5.740 -0.236 19.983) 20.793 9.540 ( -7.114 -0.198 -23.971) 25.005 10.786 ( -3.254 9.102 5.054) 10.907 10.874 ( -1.024 6.345 -4.095) 7.620 11.779 ( -6.442 7.145 7.687) 12.314 11.941 ( -6.412 0.847 -7.737) 10.084 12.569 ( -7.199 8.033 2.221) 11.013 12.660 ( -7.844 1.584 -6.281) 10.173 13.593 ( 1.866 -8.572 6.030) 10.646 13.713 ( 1.650 -11.659 -5.861) 13.153 14.044 ( 3.391 -1.908 6.563) 7.630 14.156 ( 2.329 -4.316 -5.051) 7.041 14.871 ( -8.615 9.385 2.818) 13.047 14.921 ( -8.101 7.071 -2.241) 10.984 16.327 ( 0.691 -6.852 8.832) 11.200 16.422 ( 0.305 -9.548 -0.973) 9.602 16.899 ( 6.564 5.775 14.257) 16.724 17.192 ( 9.786 9.733 -15.003) 20.386 20.612 ( 0.920 -5.252 26.965) 27.487 21.070 ( 0.774 -6.109 -19.764) 20.701 26.595 ( -6.109 1.154 11.044) 12.674 26.757 ( -3.663 -1.673 -5.441) 6.769 28.061 ( 2.134 -1.096 20.153) 20.295 28.441 ( 3.152 -0.269 -17.920) 18.197 31.020 ( 7.638 1.062 16.235) 17.973 31.370 ( 10.641 2.416 -19.553) 22.392 ======================= Grid point 663 (207/216) ======================= q-point: ( 0.45 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( -1.428 -16.943 29.619) 34.152 4.392 ( 9.682 -13.548 -20.093) 26.096 4.853 ( 13.889 2.903 2.004) 14.330 5.103 ( 20.542 -0.666 -14.634) 25.231 6.161 ( -1.470 10.064 10.735) 14.787 6.332 ( 4.750 8.435 -6.397) 11.603 7.317 ( -5.576 -10.994 9.683) 15.675 7.472 ( 10.349 -9.261 -3.271) 14.268 8.035 ( -12.722 4.812 6.562) 15.101 8.299 ( -12.487 -0.782 -17.393) 21.426 9.024 ( -5.791 -0.062 17.850) 18.766 9.483 ( -6.474 -1.095 -25.376) 26.211 10.586 ( -3.097 10.961 7.373) 13.568 10.721 ( 1.470 11.636 -6.504) 13.411 11.603 ( 1.751 10.798 7.040) 13.009 11.783 ( 1.992 12.717 -10.434) 16.570 12.505 ( -4.577 -7.028 7.141) 11.015 12.652 ( -6.260 -8.417 -7.529) 12.912 13.758 ( 0.372 -8.745 6.833) 11.104 13.871 ( 1.412 -5.191 -3.731) 6.547 14.127 ( 3.371 -2.543 6.152) 7.462 14.249 ( 1.528 -3.511 -6.211) 7.297 14.610 ( -9.438 9.605 5.438) 14.523 14.706 ( -8.752 7.390 -4.279) 12.228 16.476 ( 2.650 -7.550 10.542) 13.235 16.584 ( 4.672 -3.350 1.103) 5.854 16.844 ( -0.666 1.015 7.088) 7.191 17.052 ( 4.281 13.253 -12.255) 18.552 20.741 ( 1.504 -7.915 27.533) 28.688 21.213 ( 1.165 -8.823 -20.564) 22.408 26.533 ( -3.961 0.283 14.615) 15.145 26.763 ( -2.623 -2.702 -8.672) 9.454 28.104 ( 1.992 -1.585 19.047) 19.216 28.473 ( 2.904 0.009 -17.764) 18.000 31.049 ( 4.761 2.753 16.275) 17.179 31.392 ( 7.007 5.126 -18.718) 20.633 ======================= Grid point 664 (208/216) ======================= q-point: ( 0.55 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( -1.302 -17.403 29.815) 34.547 4.664 ( 6.958 -6.647 -13.310) 16.424 4.911 ( 7.735 3.372 2.848) 8.906 5.238 ( 14.269 5.169 -17.510) 23.172 6.001 ( -5.373 1.158 12.332) 13.502 6.269 ( -0.064 1.479 -12.655) 12.741 7.384 ( 1.289 1.641 17.768) 17.890 7.679 ( 5.451 -6.054 -1.551) 8.293 7.894 ( -9.216 -1.546 2.268) 9.616 8.213 ( -10.551 -2.893 -19.631) 22.474 8.974 ( -4.726 -0.310 17.099) 17.743 9.461 ( -4.919 -3.074 -28.555) 29.138 10.372 ( -3.928 9.200 8.738) 13.282 10.538 ( -0.395 9.505 -8.087) 12.485 11.433 ( 5.673 13.553 8.762) 17.107 11.638 ( 9.229 10.865 -11.334) 18.213 12.651 ( -2.778 -12.681 7.683) 15.085 12.792 ( -2.315 -12.090 -6.454) 13.899 13.881 ( 0.176 -5.067 6.372) 8.143 13.947 ( 1.621 -2.984 0.132) 3.398 14.128 ( 3.940 7.298 6.295) 10.412 14.262 ( 2.871 5.471 -6.784) 9.176 14.412 ( -9.420 2.445 5.795) 11.327 14.543 ( -10.198 0.337 -6.683) 12.197 16.518 ( 5.692 8.759 9.716) 14.266 16.631 ( 6.898 2.138 2.824) 7.754 16.842 ( -2.700 1.440 1.674) 3.489 16.983 ( -4.322 -9.862 -8.311) 13.602 20.886 ( 1.257 -7.031 27.927) 28.826 21.366 ( 0.977 -7.569 -21.106) 22.443 26.509 ( -2.152 -0.863 17.530) 17.683 26.794 ( -1.444 -3.063 -11.005) 11.514 28.153 ( 1.594 -2.159 16.881) 17.093 28.496 ( 2.215 0.130 -17.077) 17.220 31.019 ( 1.953 4.548 15.271) 16.054 31.335 ( 3.630 7.507 -16.944) 18.885 ======================= Grid point 665 (209/216) ======================= q-point: ( 0.64 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.310 ( -0.949 -6.590 24.337) 25.232 4.736 ( 5.125 3.587 -2.100) 6.598 4.844 ( -2.966 7.204 4.258) 8.878 5.214 ( 5.135 7.815 -18.377) 20.620 6.084 ( 0.717 -12.067 8.157) 14.583 6.296 ( -1.120 -4.537 -9.008) 10.148 7.307 ( 1.626 5.440 15.617) 16.617 7.743 ( 4.590 7.809 -25.217) 26.794 7.926 ( -7.132 -13.774 16.098) 22.355 8.210 ( -4.481 -4.434 -11.219) 12.869 8.955 ( -2.525 -1.808 17.908) 18.176 9.494 ( -2.699 -4.843 -32.122) 32.597 10.240 ( -1.842 2.254 9.673) 10.102 10.423 ( -0.379 3.150 -8.931) 9.478 11.269 ( 4.127 10.807 12.989) 17.394 11.549 ( 6.282 9.518 -15.008) 18.849 12.839 ( -1.268 -11.078 8.182) 13.830 12.978 ( 0.123 -9.942 -5.917) 11.570 13.921 ( 2.242 1.964 9.069) 9.546 13.991 ( 1.760 2.787 3.659) 4.925 14.023 ( -0.767 3.118 4.566) 5.582 14.165 ( 3.644 7.870 -7.095) 11.205 14.305 ( -5.847 1.480 4.901) 7.771 14.468 ( -7.216 -0.347 -10.187) 12.488 16.425 ( 2.494 5.612 9.147) 11.018 16.586 ( 5.009 6.206 -7.312) 10.820 16.882 ( -3.115 -6.894 14.447) 16.308 17.125 ( -2.268 -8.714 -10.103) 13.533 20.989 ( 0.576 -3.869 28.101) 28.372 21.474 ( 0.446 -4.165 -21.397) 21.803 26.515 ( -0.849 -1.500 19.445) 19.521 26.832 ( -0.564 -2.417 -11.958) 12.213 28.209 ( 1.025 -2.903 13.871) 14.208 28.515 ( 1.327 -0.493 -16.043) 16.106 30.938 ( 0.068 5.962 13.551) 14.805 31.215 ( 1.084 9.135 -14.665) 17.311 ======================= Grid point 666 (210/216) ======================= q-point: (-0.27 0.27 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.283 ( 0.000 8.092 19.453) 21.069 4.675 ( 0.000 8.157 -17.760) 19.544 4.679 ( 0.000 7.014 23.358) 24.389 5.122 ( 0.000 4.793 -19.605) 20.182 6.218 ( 0.000 5.327 13.899) 14.885 6.375 ( -0.000 -7.029 -1.477) 7.183 7.362 ( -0.000 -11.501 0.970) 11.541 7.645 ( 0.000 0.211 -25.195) 25.196 8.103 ( -0.000 -7.517 9.254) 11.923 8.217 ( 0.000 1.572 -1.408) 2.110 8.990 ( -0.000 -3.775 20.832) 21.171 9.550 ( -0.000 -2.533 -30.755) 30.859 10.269 ( -0.000 -6.472 8.680) 10.828 10.429 ( -0.000 -3.972 -7.721) 8.683 11.180 ( 0.000 0.887 10.138) 10.176 11.431 ( 0.000 7.576 -14.747) 16.580 12.985 ( -0.000 -6.705 7.065) 9.740 13.104 ( -0.000 -4.697 -5.040) 6.890 13.856 ( 0.000 9.550 8.677) 12.904 13.901 ( 0.000 3.776 11.212) 11.831 13.974 ( 0.000 4.211 -2.111) 4.710 14.076 ( 0.000 4.896 -6.790) 8.371 14.294 ( -0.000 -3.127 2.902) 4.266 14.436 ( -0.000 -1.635 -10.218) 10.348 16.387 ( 0.000 0.476 10.507) 10.517 16.570 ( -0.000 -0.947 -8.426) 8.479 16.953 ( -0.000 -2.762 15.858) 16.096 17.213 ( -0.000 -2.899 -10.790) 11.173 21.024 ( -0.000 -0.018 28.233) 28.233 21.514 ( -0.000 -0.293 -21.675) 21.677 26.539 ( -0.000 -1.650 20.074) 20.142 26.861 ( -0.000 -1.231 -11.615) 11.680 28.266 ( -0.000 -2.939 11.203) 11.582 28.541 ( -0.000 -1.803 -15.354) 15.460 30.829 ( 0.000 6.537 11.263) 13.023 31.058 ( 0.000 9.683 -12.021) 15.436 ======================= Grid point 673 (211/216) ======================= q-point: ( 0.36 0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( -1.582 0.000 28.529) 28.573 4.101 ( 7.942 -0.000 -28.136) 29.235 4.953 ( 21.278 -0.000 0.314) 21.280 5.047 ( 25.250 -0.000 -6.133) 25.984 6.423 ( 0.876 -0.000 12.273) 12.304 6.651 ( -2.088 0.000 -10.642) 10.845 6.952 ( -2.714 0.000 15.401) 15.638 7.225 ( 16.302 -0.000 -8.020) 18.168 8.154 ( -15.568 0.000 -0.072) 15.568 8.278 ( -12.682 0.000 -11.166) 16.897 9.019 ( -5.724 0.000 19.497) 20.320 9.471 ( -6.594 0.000 -23.777) 24.675 10.864 ( 0.151 -0.000 5.726) 5.728 10.960 ( 6.973 -0.000 -4.507) 8.303 11.831 ( -2.153 0.000 2.032) 2.960 11.843 ( -2.597 0.000 -0.321) 2.616 12.532 ( -15.859 0.000 -0.083) 15.860 12.579 ( -13.990 0.000 -5.415) 15.001 13.549 ( 1.122 -0.000 2.329) 2.585 13.595 ( 4.559 -0.000 -2.736) 5.317 14.067 ( 3.291 -0.000 4.222) 5.353 14.139 ( 2.110 -0.000 -3.003) 3.670 14.886 ( -7.528 0.000 1.377) 7.653 14.910 ( -7.384 0.000 -1.094) 7.465 16.270 ( 0.473 -0.000 6.109) 6.127 16.315 ( -0.741 0.000 1.259) 1.461 17.033 ( 6.948 -0.000 17.458) 18.790 17.375 ( 8.550 -0.000 -16.960) 18.993 20.574 ( 1.116 -0.000 26.391) 26.414 21.021 ( 0.696 -0.000 -19.167) 19.180 26.547 ( -5.382 0.000 10.996) 12.242 26.708 ( -3.122 0.000 -5.424) 6.258 28.077 ( 2.645 -0.000 21.144) 21.309 28.472 ( 3.522 -0.000 -18.630) 18.960 31.098 ( 6.091 -0.000 18.220) 19.211 31.483 ( 8.103 -0.000 -21.139) 22.639 ======================= Grid point 674 (212/216) ======================= q-point: ( 0.45 0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( -1.135 -9.770 31.755) 33.243 4.250 ( 5.139 -9.799 -33.544) 35.321 5.119 ( 22.710 6.024 7.978) 24.813 5.315 ( 24.797 -0.884 -9.205) 26.465 6.250 ( -15.604 8.630 12.471) 21.760 6.492 ( -6.541 7.950 -10.917) 15.005 7.085 ( 1.551 -10.791 20.023) 22.798 7.452 ( 14.777 -6.902 -11.886) 20.181 7.985 ( -12.621 3.393 2.185) 13.250 8.171 ( -10.534 -0.403 -13.510) 17.136 8.969 ( -4.855 -0.169 17.961) 18.606 9.417 ( -4.864 -0.309 -24.738) 25.214 10.772 ( 0.990 11.119 9.042) 14.365 10.942 ( 4.775 10.179 -8.512) 14.102 11.767 ( 5.551 4.473 7.611) 10.429 11.922 ( 4.999 -1.149 -7.065) 8.731 12.350 ( -14.592 0.018 2.827) 14.864 12.448 ( -13.409 -4.121 -6.329) 15.390 13.616 ( 0.730 -6.842 6.345) 9.360 13.742 ( 1.383 -9.711 -6.272) 11.643 14.105 ( 2.571 -1.767 5.278) 6.131 14.194 ( 1.526 -3.819 -3.698) 5.531 14.720 ( -6.251 10.377 3.358) 12.572 14.778 ( -5.889 7.598 -2.548) 9.945 16.336 ( 0.262 -7.554 8.059) 11.049 16.426 ( 0.105 -11.679 -1.313) 11.753 17.005 ( 4.006 9.327 17.240) 20.006 17.340 ( 5.304 11.735 -16.385) 20.839 20.635 ( 1.161 -5.542 26.513) 27.111 21.086 ( 0.750 -6.453 -19.474) 20.529 26.500 ( -3.417 0.207 12.881) 13.328 26.699 ( -2.161 -1.917 -7.271) 7.824 28.106 ( 2.061 -0.663 21.008) 21.119 28.503 ( 2.707 0.130 -18.795) 18.990 31.132 ( 3.821 1.820 18.743) 19.215 31.522 ( 5.113 3.044 -21.082) 21.906 ======================= Grid point 675 (213/216) ======================= q-point: ( 0.55 0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -0.605 -16.880 33.441) 37.465 4.504 ( 2.448 -14.508 -35.467) 38.398 5.159 ( 13.541 11.055 15.902) 23.632 5.486 ( 15.902 5.806 -15.029) 22.637 5.967 ( -12.875 5.140 15.931) 21.118 6.313 ( -5.532 4.863 -16.899) 18.435 7.304 ( 3.639 -12.536 24.965) 28.172 7.660 ( 4.826 0.899 6.493) 8.140 7.840 ( -3.475 -2.371 -11.974) 12.692 8.076 ( -9.594 0.545 -18.796) 21.110 8.933 ( -2.860 -0.134 16.893) 17.134 9.392 ( -2.525 -1.092 -26.508) 26.650 10.546 ( -1.082 13.879 9.794) 17.021 10.741 ( 0.351 14.273 -10.176) 17.532 11.703 ( 5.545 11.544 8.022) 15.111 11.897 ( 6.857 10.199 -10.972) 16.475 12.372 ( -7.046 -14.366 8.738) 18.231 12.528 ( -4.847 -14.852 -6.910) 17.082 13.755 ( -0.286 -8.546 7.793) 11.569 13.886 ( 0.363 -5.822 -4.435) 7.328 14.190 ( 2.584 -4.820 3.990) 6.769 14.282 ( 1.417 -4.615 -4.923) 6.895 14.458 ( -5.194 13.000 6.390) 15.389 14.568 ( -4.427 10.521 -4.808) 12.386 16.508 ( 0.731 -11.289 11.031) 15.800 16.659 ( 2.464 -12.626 -3.787) 13.410 16.826 ( -0.838 11.808 13.781) 18.167 17.112 ( 1.681 17.992 -14.296) 23.041 20.764 ( 0.720 -8.013 27.185) 28.351 21.230 ( 0.521 -8.982 -20.277) 22.184 26.479 ( -1.455 -0.487 15.443) 15.520 26.727 ( -0.982 -3.147 -9.657) 10.204 28.138 ( 1.046 -1.261 19.729) 19.797 28.518 ( 1.380 0.341 -18.363) 18.418 31.109 ( 1.535 3.811 18.015) 18.478 31.481 ( 2.243 5.971 -19.799) 20.802 ======================= Grid point 676 (214/216) ======================= q-point: ( 0.64 0.36 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.089 ( -0.000 -17.213 31.150) 35.589 4.726 ( -0.000 -8.375 -29.595) 30.757 5.010 ( 0.000 12.401 20.330) 23.814 5.410 ( 0.000 10.598 -18.823) 21.602 5.909 ( -0.000 -5.754 13.748) 14.904 6.247 ( 0.000 0.144 -16.950) 16.950 7.487 ( 0.000 11.749 19.628) 22.876 7.597 ( -0.000 -17.274 25.264) 30.605 7.927 ( 0.000 7.598 -24.586) 25.733 8.039 ( -0.000 -11.053 -18.968) 21.954 8.924 ( -0.000 -0.566 16.504) 16.513 9.412 ( -0.000 -2.932 -29.209) 29.355 10.332 ( 0.000 9.658 9.870) 13.809 10.529 ( 0.000 9.839 -10.209) 14.179 11.505 ( 0.000 13.726 10.936) 17.550 11.752 ( 0.000 10.518 -13.648) 17.231 12.606 ( -0.000 -15.117 9.887) 18.064 12.770 ( -0.000 -14.381 -6.724) 15.875 13.881 ( -0.000 -5.865 7.404) 9.446 13.962 ( -0.000 -3.601 -0.289) 3.613 14.195 ( 0.000 12.910 9.423) 15.983 14.281 ( -0.000 -1.760 2.412) 2.986 14.353 ( 0.000 10.907 -6.642) 12.770 14.381 ( -0.000 -4.956 -7.290) 8.816 16.586 ( 0.000 11.876 11.970) 16.862 16.708 ( -0.000 -10.905 13.647) 17.469 16.814 ( 0.000 16.218 -11.232) 19.728 16.922 ( -0.000 -13.500 -8.382) 15.890 20.899 ( -0.000 -6.960 27.771) 28.630 21.377 ( -0.000 -7.529 -20.951) 22.263 26.487 ( -0.000 -1.222 17.820) 17.862 26.779 ( -0.000 -3.323 -11.435) 11.909 28.171 ( -0.000 -2.121 17.232) 17.362 28.520 ( 0.000 0.192 -17.367) 17.368 31.037 ( 0.000 5.374 16.249) 17.115 31.370 ( 0.000 8.165 -17.614) 19.415 ======================= Grid point 686 (215/216) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( -0.628 0.000 32.983) 32.989 4.199 ( 2.360 -0.000 -37.431) 37.506 5.433 ( 25.325 -0.000 6.062) 26.040 5.527 ( 20.122 -0.000 -2.440) 20.269 6.123 ( -23.475 0.000 14.608) 27.649 6.431 ( -14.597 0.000 -15.797) 21.508 7.047 ( 6.286 -0.000 24.213) 25.016 7.532 ( 12.989 -0.000 -19.911) 23.773 7.903 ( -10.108 0.000 4.636) 11.121 8.088 ( -5.974 0.000 -11.504) 12.963 8.930 ( -2.726 0.000 17.679) 17.887 9.378 ( -2.563 0.000 -25.085) 25.215 10.908 ( 2.296 -0.000 10.733) 10.976 11.095 ( 4.555 -0.000 -8.611) 9.741 11.894 ( 7.929 -0.000 3.555) 8.689 11.904 ( 8.976 -0.000 2.341) 9.276 12.199 ( -16.891 0.000 -0.869) 16.913 12.277 ( -14.657 0.000 -8.889) 17.142 13.569 ( 0.689 -0.000 4.557) 4.608 13.660 ( 1.861 -0.000 -5.041) 5.373 14.115 ( 1.416 -0.000 3.512) 3.786 14.168 ( 0.832 -0.000 -1.735) 1.924 14.776 ( -3.229 0.000 1.516) 3.567 14.802 ( -3.175 0.000 -1.154) 3.378 16.277 ( 0.162 -0.000 5.022) 5.025 16.305 ( -0.275 0.000 1.835) 1.855 17.126 ( 2.510 -0.000 18.843) 19.010 17.487 ( 2.918 -0.000 -17.377) 17.620 20.594 ( 0.673 -0.000 25.798) 25.806 21.033 ( 0.376 -0.000 -18.843) 18.847 26.476 ( -1.867 0.000 12.409) 12.548 26.665 ( -1.154 0.000 -6.867) 6.963 28.117 ( 1.218 -0.000 21.744) 21.778 28.525 ( 1.553 -0.000 -19.267) 19.329 31.177 ( 2.021 -0.000 19.813) 19.915 31.586 ( 2.607 -0.000 -21.951) 22.106 ======================= Grid point 687 (216/216) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( -0.000 -9.805 33.897) 35.287 4.298 ( -0.000 -9.881 -38.495) 39.743 5.452 ( 0.000 11.876 11.928) 16.832 5.665 ( 0.000 1.631 -9.355) 9.496 5.941 ( 0.000 2.778 18.580) 18.786 6.327 ( 0.000 2.217 -19.020) 19.149 7.143 ( -0.000 -7.505 26.258) 27.310 7.674 ( -0.000 -7.487 -25.794) 26.859 7.798 ( 0.000 5.232 12.282) 13.350 8.053 ( 0.000 0.818 -13.576) 13.601 8.917 ( -0.000 -0.050 17.290) 17.290 9.369 ( -0.000 -0.340 -25.650) 25.652 10.786 ( 0.000 13.352 10.938) 17.260 10.992 ( 0.000 13.130 -10.247) 16.655 11.913 ( 0.000 8.103 7.606) 11.113 12.069 ( -0.000 -12.997 8.884) 15.743 12.109 ( 0.000 8.561 -11.757) 14.543 12.227 ( -0.000 -14.724 -7.057) 16.328 13.623 ( -0.000 -6.001 6.720) 9.010 13.758 ( -0.000 -8.446 -6.815) 10.852 14.132 ( -0.000 -1.971 4.796) 5.186 14.210 ( -0.000 -3.869 -3.067) 4.937 14.655 ( 0.000 11.015 3.608) 11.591 14.717 ( 0.000 7.946 -2.711) 8.396 16.338 ( -0.000 -7.750 7.800) 10.995 16.427 ( -0.000 -12.310 -1.459) 12.396 17.045 ( 0.000 10.402 18.153) 20.922 17.392 ( 0.000 12.311 -16.688) 20.738 20.648 ( -0.000 -5.586 26.200) 26.789 21.094 ( -0.000 -6.563 -19.284) 20.371 26.467 ( -0.000 -0.063 13.463) 13.463 26.677 ( -0.000 -2.008 -7.906) 8.157 28.128 ( -0.000 -0.546 21.337) 21.343 28.531 ( 0.000 0.245 -19.121) 19.123 31.168 ( 0.000 2.096 19.545) 19.657 31.571 ( 0.000 3.251 -21.483) 21.728 =================== 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 3/47916 10.0 4049.681 2166.319 1952.468 0.000 0.000 -0.000 3/47916 20.0 2472.831 2313.276 2691.788 0.000 0.000 0.000 3/47916 30.0 1293.745 1271.360 1323.600 0.000 0.000 0.000 3/47916 40.0 652.782 641.605 665.520 0.000 0.000 0.000 3/47916 50.0 366.346 364.206 383.330 0.000 0.000 0.000 3/47916 60.0 227.099 228.517 245.050 0.000 0.000 0.000 3/47916 70.0 152.200 154.769 168.932 0.000 0.000 0.000 3/47916 80.0 108.468 111.302 123.397 0.000 0.000 0.000 3/47916 90.0 81.198 83.977 94.381 0.000 0.000 0.000 3/47916 100.0 63.258 65.876 74.934 0.000 0.000 0.000 3/47916 110.0 50.920 53.352 61.343 0.000 0.000 0.000 3/47916 120.0 42.112 44.366 51.503 0.000 0.000 0.000 3/47916 130.0 35.621 37.714 44.161 0.000 0.000 0.000 3/47916 140.0 30.703 32.654 38.536 0.000 0.000 0.000 3/47916 150.0 26.887 28.716 34.129 0.000 0.000 0.000 3/47916 160.0 23.864 25.585 30.606 0.000 0.000 0.000 3/47916 170.0 21.425 23.052 27.741 0.000 0.000 0.000 3/47916 180.0 19.424 20.968 25.373 0.000 0.000 0.000 3/47916 190.0 17.760 19.230 23.390 0.000 0.000 0.000 3/47916 200.0 16.357 17.761 21.709 0.000 0.000 0.000 3/47916 210.0 15.162 16.506 20.267 0.000 0.000 0.000 3/47916 220.0 14.133 15.422 19.018 0.000 0.000 0.000 3/47916 230.0 13.238 14.478 17.927 0.000 0.000 0.000 3/47916 240.0 12.455 13.648 16.966 0.000 0.000 0.000 3/47916 250.0 11.763 12.913 16.114 0.000 0.000 0.000 3/47916 260.0 11.148 12.258 15.351 0.000 0.000 0.000 3/47916 270.0 10.598 11.671 14.666 0.000 0.000 0.000 3/47916 280.0 10.103 11.141 14.047 0.000 0.000 0.000 3/47916 290.0 9.656 10.661 13.484 0.000 0.000 0.000 3/47916 300.0 9.249 10.224 12.969 0.000 0.000 0.000 3/47916 310.0 8.878 9.823 12.497 0.000 0.000 0.000 3/47916 320.0 8.538 9.456 12.063 0.000 0.000 0.000 3/47916 330.0 8.225 9.117 11.661 0.000 0.000 0.000 3/47916 340.0 7.937 8.803 11.288 0.000 0.000 0.000 3/47916 350.0 7.669 8.512 10.941 0.000 0.000 0.000 3/47916 360.0 7.421 8.241 10.617 0.000 0.000 0.000 3/47916 370.0 7.189 7.988 10.314 0.000 0.000 0.000 3/47916 380.0 6.973 7.751 10.029 0.000 0.000 0.000 3/47916 390.0 6.770 7.529 9.761 0.000 0.000 0.000 3/47916 400.0 6.580 7.320 9.509 0.000 0.000 0.000 3/47916 410.0 6.401 7.123 9.270 0.000 0.000 0.000 3/47916 420.0 6.233 6.938 9.044 0.000 0.000 0.000 3/47916 430.0 6.073 6.762 8.830 0.000 0.000 0.000 3/47916 440.0 5.923 6.596 8.626 0.000 0.000 0.000 3/47916 450.0 5.780 6.438 8.433 0.000 0.000 0.000 3/47916 460.0 5.644 6.288 8.248 0.000 0.000 0.000 3/47916 470.0 5.515 6.145 8.072 0.000 0.000 0.000 3/47916 480.0 5.393 6.009 7.904 0.000 0.000 0.000 3/47916 490.0 5.276 5.879 7.743 0.000 0.000 0.000 3/47916 500.0 5.164 5.755 7.589 0.000 0.000 0.000 3/47916 510.0 5.057 5.636 7.441 0.000 0.000 0.000 3/47916 520.0 4.955 5.522 7.299 0.000 0.000 0.000 3/47916 530.0 4.857 5.414 7.163 0.000 0.000 0.000 3/47916 540.0 4.763 5.309 7.032 0.000 0.000 0.000 3/47916 550.0 4.673 5.209 6.906 0.000 0.000 0.000 3/47916 560.0 4.586 5.112 6.784 0.000 0.000 0.000 3/47916 570.0 4.503 5.019 6.667 0.000 0.000 0.000 3/47916 580.0 4.423 4.930 6.554 0.000 0.000 0.000 3/47916 590.0 4.345 4.844 6.445 0.000 0.000 0.000 3/47916 600.0 4.271 4.761 6.339 0.000 0.000 0.000 3/47916 610.0 4.199 4.680 6.237 0.000 0.000 0.000 3/47916 620.0 4.130 4.603 6.139 0.000 0.000 0.000 3/47916 630.0 4.063 4.528 6.043 0.000 0.000 0.000 3/47916 640.0 3.998 4.456 5.951 0.000 0.000 0.000 3/47916 650.0 3.935 4.386 5.861 0.000 0.000 0.000 3/47916 660.0 3.874 4.318 5.774 0.000 0.000 0.000 3/47916 670.0 3.816 4.252 5.690 0.000 0.000 0.000 3/47916 680.0 3.759 4.189 5.608 0.000 0.000 0.000 3/47916 690.0 3.703 4.127 5.528 0.000 0.000 0.000 3/47916 700.0 3.650 4.067 5.451 0.000 0.000 0.000 3/47916 710.0 3.598 4.009 5.376 0.000 0.000 0.000 3/47916 720.0 3.547 3.952 5.303 0.000 0.000 0.000 3/47916 730.0 3.498 3.898 5.232 0.000 0.000 0.000 3/47916 740.0 3.451 3.844 5.163 0.000 0.000 0.000 3/47916 750.0 3.404 3.792 5.096 0.000 0.000 0.000 3/47916 760.0 3.359 3.742 5.030 0.000 0.000 0.000 3/47916 770.0 3.315 3.693 4.966 0.000 0.000 0.000 3/47916 780.0 3.272 3.645 4.904 0.000 0.000 0.000 3/47916 790.0 3.231 3.598 4.843 0.000 0.000 0.000 3/47916 800.0 3.190 3.553 4.784 0.000 0.000 0.000 3/47916 810.0 3.150 3.509 4.726 0.000 0.000 0.000 3/47916 820.0 3.112 3.466 4.670 0.000 0.000 0.000 3/47916 830.0 3.074 3.424 4.615 0.000 0.000 0.000 3/47916 840.0 3.038 3.383 4.561 0.000 0.000 0.000 3/47916 850.0 3.002 3.343 4.509 0.000 0.000 0.000 3/47916 860.0 2.967 3.304 4.458 0.000 0.000 0.000 3/47916 870.0 2.933 3.265 4.407 0.000 0.000 0.000 3/47916 880.0 2.899 3.228 4.358 0.000 0.000 0.000 3/47916 890.0 2.867 3.192 4.310 0.000 0.000 0.000 3/47916 900.0 2.835 3.156 4.264 0.000 0.000 0.000 3/47916 910.0 2.804 3.121 4.218 0.000 0.000 0.000 3/47916 920.0 2.773 3.087 4.173 0.000 0.000 0.000 3/47916 930.0 2.743 3.054 4.129 0.000 0.000 0.000 3/47916 940.0 2.714 3.021 4.086 0.000 0.000 0.000 3/47916 950.0 2.686 2.989 4.044 0.000 0.000 0.000 3/47916 960.0 2.658 2.958 4.002 0.000 0.000 0.000 3/47916 970.0 2.630 2.928 3.962 0.000 0.000 0.000 3/47916 980.0 2.603 2.898 3.922 0.000 0.000 0.000 3/47916 990.0 2.577 2.868 3.884 0.000 0.000 0.000 3/47916 1000.0 2.551 2.840 3.845 0.000 0.000 0.000 3/47916 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:41:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|